smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1ccsc1C[NH2+]Cc1ccsc1 ZINC000063152679 1121923637 /nfs/dbraw/zinc/92/36/37/1121923637.db2.gz MSAQTAWMHPCPEP-UHFFFAOYSA-N 1 0 288.235 3.862 50 0 CHAARO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(F)cc1 ZINC000245607437 1125584275 /nfs/dbraw/zinc/58/42/75/1125584275.db2.gz ISLLPFFAZGQQSP-KBXCAEBGSA-N 1 0 299.393 3.543 50 0 CHAARO Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000131891989 1127761404 /nfs/dbraw/zinc/76/14/04/1127761404.db2.gz RTVHVDRYVBKOFG-KRWDZBQOSA-N 1 0 295.386 3.812 50 0 CHAARO COc1ccc(C[NH2+]C2CCCCC2)cc1-c1cn[nH]c1 ZINC000032520228 1127925562 /nfs/dbraw/zinc/92/55/62/1127925562.db2.gz JFJKDWOWYWTDHO-UHFFFAOYSA-N 1 0 285.391 3.508 50 0 CHAARO C[NH2+]CCC[C@@]1(O)c2ccccc2CSc2ccccc21 ZINC000006639596 1117849419 /nfs/dbraw/zinc/84/94/19/1117849419.db2.gz LJPIJKHELBOUMI-GOSISDBHSA-N 1 0 299.439 3.528 50 0 CHAARO CCOC[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000072976363 1117858701 /nfs/dbraw/zinc/85/87/01/1117858701.db2.gz NMCVFPWZULGJSC-ZDUSSCGKSA-N 1 0 290.432 3.545 50 0 CHAARO CN(C)CC[N@H+](CCCc1ccccc1)Cc1ccccc1 ZINC000022027690 1118175571 /nfs/dbraw/zinc/17/55/71/1118175571.db2.gz KBZYWVULVVODSW-UHFFFAOYSA-N 1 0 296.458 3.683 50 0 CHAARO CCS[C@H]1CC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000078947882 1118335533 /nfs/dbraw/zinc/33/55/33/1118335533.db2.gz SPHOTXIWNLCTLH-STQMWFEESA-N 1 0 270.467 3.558 50 0 CHAARO CC[NH+](CC)CCCCOc1cccc(Cl)c1 ZINC000002494156 1118572794 /nfs/dbraw/zinc/57/27/94/1118572794.db2.gz JDWJZIRPHLOGMM-UHFFFAOYSA-N 1 0 255.789 3.841 50 0 CHAARO CC(C)=CCC/C(C)=C/C[N@@H+](C)C1CCN(C)CC1 ZINC000002498779 1118575375 /nfs/dbraw/zinc/57/53/75/1118575375.db2.gz DQIZIMZIURDCST-CXUHLZMHSA-N 1 0 264.457 3.705 50 0 CHAARO [NH3+][C@H]1CCCc2c3cc(C(F)(F)F)ccc3[nH]c21 ZINC000075707197 1120264066 /nfs/dbraw/zinc/26/40/66/1120264066.db2.gz AQRSYVHLIVGXRZ-JTQLQIEISA-N 1 0 254.255 3.523 50 0 CHAARO CC(C)c1noc(CC[NH2+][C@H](C)c2csc(Cl)c2)n1 ZINC000191359689 1128919680 /nfs/dbraw/zinc/91/96/80/1128919680.db2.gz HJNRPVBSGAVKHM-SECBINFHSA-N 1 0 299.827 3.801 50 0 CHAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000048784718 1120841744 /nfs/dbraw/zinc/84/17/44/1120841744.db2.gz YZICICNHLYLDOR-UHFFFAOYSA-N 1 0 297.402 3.506 50 0 CHAARO COC(C)(C)C[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534662664 1121448664 /nfs/dbraw/zinc/44/86/64/1121448664.db2.gz BIVXDGWQEUDBEO-CQSZACIVSA-N 1 0 261.409 3.555 50 0 CHAARO Cc1noc(C)c1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000052077182 1121646794 /nfs/dbraw/zinc/64/67/94/1121646794.db2.gz KLMBOAVZBWJOFG-UHFFFAOYSA-N 1 0 274.364 3.829 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC000003583647 1122672992 /nfs/dbraw/zinc/67/29/92/1122672992.db2.gz PPDZGUSTWMPKCN-CQSZACIVSA-N 1 0 282.387 3.653 50 0 CHAARO CCOc1ccnc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426627598 1122834364 /nfs/dbraw/zinc/83/43/64/1122834364.db2.gz AMAASXTUCYQIHF-CQSZACIVSA-N 1 0 297.402 3.699 50 0 CHAARO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1ccccc1 ZINC000229995166 1125393475 /nfs/dbraw/zinc/39/34/75/1125393475.db2.gz DVFVULWSBWKNRS-ROUUACIJSA-N 1 0 294.442 3.781 50 0 CHAARO COCc1cc(C[N@H+](C)Cc2ccsc2)ccc1OC ZINC000215690637 1125426794 /nfs/dbraw/zinc/42/67/94/1125426794.db2.gz FKOYAUUXWBZMHU-UHFFFAOYSA-N 1 0 291.416 3.535 50 0 CHAARO Fc1ccc(N[C@@H]2CCC[N@@H+](C3CCSCC3)C2)cc1 ZINC000015063523 1129835463 /nfs/dbraw/zinc/83/54/63/1129835463.db2.gz SOJPUUBHPRGZDQ-OAHLLOKOSA-N 1 0 294.439 3.598 50 0 CHAARO OCC[N@@H+](Cc1cccs1)C[C@@H]1CC12CCCCC2 ZINC000019223552 1129845534 /nfs/dbraw/zinc/84/55/34/1129845534.db2.gz CEBDPERFGXPCCQ-AWEZNQCLSA-N 1 0 279.449 3.513 50 0 CHAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000019788938 1129846216 /nfs/dbraw/zinc/84/62/16/1129846216.db2.gz CKKPAZQIXXQEFD-AWEZNQCLSA-N 1 0 287.407 3.581 50 0 CHAARO c1ccc2c(c1)c1ccccc1n2CCC[NH+]1CCOCC1 ZINC000019855664 1129846297 /nfs/dbraw/zinc/84/62/97/1129846297.db2.gz FSCCHAOQJAMNDN-UHFFFAOYSA-N 1 0 294.398 3.517 50 0 CHAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccnn1C ZINC000192245927 1131907334 /nfs/dbraw/zinc/90/73/34/1131907334.db2.gz ALVSJUZCBNKPHY-OAHLLOKOSA-N 1 0 291.398 3.860 50 0 CHAARO Cc1cc2cc(NC(=O)[C@@H](C)C[N@@H+](C)C(C)C)ccc2o1 ZINC000952873100 1132015979 /nfs/dbraw/zinc/01/59/79/1132015979.db2.gz UIULUBONNSBFSO-LBPRGKRZSA-N 1 0 288.391 3.656 50 0 CHAARO Fc1ccc2[nH]c(C3CC[NH+](Cc4ccoc4)CC3)nc2c1 ZINC000952985911 1132019588 /nfs/dbraw/zinc/01/95/88/1132019588.db2.gz IPTPJHMAXVDPDL-UHFFFAOYSA-N 1 0 299.349 3.675 50 0 CHAARO Cc1ccc([C@@H](C[NH2+][C@@H]2CCCC2(C)C)N2CCCC2)o1 ZINC000097016746 230386349 /nfs/dbraw/zinc/38/63/49/230386349.db2.gz BZCOWCNZDBKBIR-NVXWUHKLSA-N 1 0 290.451 3.893 50 0 CHAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000095967325 185046716 /nfs/dbraw/zinc/04/67/16/185046716.db2.gz ATOQZLBCFDQYGP-QLFBSQMISA-N 1 0 290.451 3.739 50 0 CHAARO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000095968125 185046763 /nfs/dbraw/zinc/04/67/63/185046763.db2.gz AJWXTGBRHMKPDP-BBATYDOGSA-N 1 0 287.856 3.538 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(Br)cc1)C1CCC1 ZINC000095967495 185046979 /nfs/dbraw/zinc/04/69/79/185046979.db2.gz PNCACSGFHXHEJN-SNVBAGLBSA-N 1 0 268.198 3.727 50 0 CHAARO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000095968957 185047957 /nfs/dbraw/zinc/04/79/57/185047957.db2.gz NYDHJPKWLPNRSI-HUUCEWRRSA-N 1 0 286.419 3.837 50 0 CHAARO COc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1F ZINC000095982768 185054159 /nfs/dbraw/zinc/05/41/59/185054159.db2.gz RQDYLHMWWDOEIA-GFCCVEGCSA-N 1 0 251.345 3.503 50 0 CHAARO C[C@@H](Cc1ccnn1C)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000096009201 185063797 /nfs/dbraw/zinc/06/37/97/185063797.db2.gz KILBBCUGZDELIF-MAUKXSAKSA-N 1 0 289.467 3.643 50 0 CHAARO CC(C)n1ccnc1-c1cccc([C@H](C)[NH+](C)C)c1 ZINC000096131651 185103851 /nfs/dbraw/zinc/10/38/51/185103851.db2.gz MBRLLNKDOBMOHE-ZDUSSCGKSA-N 1 0 257.381 3.754 50 0 CHAARO c1cncc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c1 ZINC000097000856 185150190 /nfs/dbraw/zinc/15/01/90/185150190.db2.gz HMPDMIAXXZMTHT-QGZVFWFLSA-N 1 0 267.376 3.594 50 0 CHAARO Cc1ccc(C)c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000000239725 136396445 /nfs/dbraw/zinc/39/64/45/136396445.db2.gz IQWUWZGQRRLOTP-UHFFFAOYSA-N 1 0 280.415 3.626 50 0 CHAARO C[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C ZINC000002844575 529971809 /nfs/dbraw/zinc/97/18/09/529971809.db2.gz FXYWYEZRXJAUKN-UHFFFAOYSA-N 1 0 255.789 3.626 50 0 CHAARO CCCCn1c[n+](Cc2ccccc2)c2ccccc21 ZINC000169420058 188661332 /nfs/dbraw/zinc/66/13/32/188661332.db2.gz IKTSLWSJDFMBPW-UHFFFAOYSA-N 1 0 265.380 3.777 50 0 CHAARO C[C@@H](C[N@H+](C)Cc1cccc(F)c1)c1nccs1 ZINC000183975728 189373662 /nfs/dbraw/zinc/37/36/62/189373662.db2.gz YGJVOFZXRSGYRW-NSHDSACASA-N 1 0 264.369 3.518 50 0 CHAARO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH2+]CC1 ZINC000195529655 189676572 /nfs/dbraw/zinc/67/65/72/189676572.db2.gz ZWFKVBRILCYCRO-UHFFFAOYSA-N 1 0 294.354 3.524 50 0 CHAARO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](C)CC(C)C)c1C ZINC000225626177 189760134 /nfs/dbraw/zinc/76/01/34/189760134.db2.gz MXNLAIWVTKBNGA-CQSZACIVSA-N 1 0 290.451 3.856 50 0 CHAARO COc1ccccc1[C@@H](CC[NH3+])c1ccc(OC(C)C)cc1 ZINC000004029779 184529372 /nfs/dbraw/zinc/52/93/72/184529372.db2.gz PMQPGWCCKNSQFC-KRWDZBQOSA-N 1 0 299.414 3.963 50 0 biogenic CHAARO COc1cc(C)c(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000000757753 169678102 /nfs/dbraw/zinc/67/81/02/169678102.db2.gz VOCITIISMLBSFE-BETUJISGSA-N 1 0 261.409 3.790 50 0 CHAARO CCCCCOc1ccc(C(=O)CC[NH2+]C(C)C)cc1 ZINC000001774351 169756602 /nfs/dbraw/zinc/75/66/02/169756602.db2.gz KKWAGBUJGDVDBM-UHFFFAOYSA-N 1 0 277.408 3.826 50 0 biogenic CHAARO Cc1ccc(OCC[NH2+]CCc2ccccc2)c(C)c1 ZINC000002824026 169834541 /nfs/dbraw/zinc/83/45/41/169834541.db2.gz ZDSSEDPIVFDKRX-UHFFFAOYSA-N 1 0 269.388 3.515 50 0 CHAARO Cc1cc(OCCC[NH2+]C(C)(C)C)ccc1Cl ZINC000002901852 169843413 /nfs/dbraw/zinc/84/34/13/169843413.db2.gz JGVGTNGSTTXTCI-UHFFFAOYSA-N 1 0 255.789 3.805 50 0 CHAARO CCCC[NH+](CCCC)C[C@@H](O)COc1ccccc1C ZINC000002989834 169847539 /nfs/dbraw/zinc/84/75/39/169847539.db2.gz IGOYYRBLQWESAP-QGZVFWFLSA-N 1 0 293.451 3.637 50 0 CHAARO C[C@@H]([NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000003638117 169905413 /nfs/dbraw/zinc/90/54/13/169905413.db2.gz ZOCMPVMKPVJTEP-QGZVFWFLSA-N 1 0 295.426 3.797 50 0 CHAARO C([C@@H]1CO[C@]2(CC[C@@H]3CCCC[C@@H]3C2)O1)[NH+]1CCCCC1 ZINC000004713520 170003590 /nfs/dbraw/zinc/00/35/90/170003590.db2.gz XBGMCAWJVPHBRD-BSDSXHPESA-N 1 0 293.451 3.574 50 0 CHAARO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OC ZINC000004744011 170009927 /nfs/dbraw/zinc/00/99/27/170009927.db2.gz ANNGMXZTYYGLKK-UHFFFAOYSA-N 1 0 277.408 3.906 50 0 CHAARO CCn1c2ccccc2cc/c1=[NH+]\c1ccc(N(C)C)cc1 ZINC000004773405 170014453 /nfs/dbraw/zinc/01/44/53/170014453.db2.gz PYEOQYKMAWTFQR-FMQUCBEESA-N 1 0 291.398 3.960 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000004845252 170029486 /nfs/dbraw/zinc/02/94/86/170029486.db2.gz WORAIGZOZLJABA-BETUJISGSA-N 1 0 267.800 3.697 50 0 CHAARO CCC(=O)c1ccccc1OCCCC[NH+]1CCCCC1 ZINC000004869090 170034330 /nfs/dbraw/zinc/03/43/30/170034330.db2.gz VFWBFVDPBDTPKB-UHFFFAOYSA-N 1 0 289.419 3.924 50 0 CHAARO CC(C)Oc1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000004907023 170039913 /nfs/dbraw/zinc/03/99/13/170039913.db2.gz IWWIATSMDAQBPU-OAHLLOKOSA-N 1 0 277.408 3.585 50 0 CHAARO CC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000004942794 170042997 /nfs/dbraw/zinc/04/29/97/170042997.db2.gz GVBUTYANMFTTCU-UHFFFAOYSA-N 1 0 252.361 3.924 50 0 CHAARO CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000004942789 170043216 /nfs/dbraw/zinc/04/32/16/170043216.db2.gz GMDMEZBPLAVYCY-HNNXBMFYSA-N 1 0 296.414 3.675 50 0 CHAARO Fc1ccc(C[NH+]2CCCCCC2)cc1Br ZINC000004977921 170048291 /nfs/dbraw/zinc/04/82/91/170048291.db2.gz QUVLKVFSBXEMRH-UHFFFAOYSA-N 1 0 286.188 3.964 50 0 CHAARO CCC[NH+]1CCC(Nc2ccc(SC)cc2)CC1 ZINC000004981557 170048543 /nfs/dbraw/zinc/04/85/43/170048543.db2.gz XVBFDNSINBIEEB-UHFFFAOYSA-N 1 0 264.438 3.695 50 0 CHAARO O[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000004985773 170049006 /nfs/dbraw/zinc/04/90/06/170049006.db2.gz BVMWOQVHTUDLJW-GFCCVEGCSA-N 1 0 291.778 3.557 50 0 CHAARO C[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000004989426 170049799 /nfs/dbraw/zinc/04/97/99/170049799.db2.gz DDTFZLQLMMIXHG-QFBILLFUSA-N 1 0 286.463 3.819 50 0 CHAARO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000004989174 170050289 /nfs/dbraw/zinc/05/02/89/170050289.db2.gz NNMMPDICVJXSJB-AWEZNQCLSA-N 1 0 285.387 3.512 50 0 CHAARO C[NH2+][C@@H](C)Cc1ccccc1Sc1ccc(OC)cc1 ZINC000005368256 170089569 /nfs/dbraw/zinc/08/95/69/170089569.db2.gz LMOYFNNOXLRLDZ-ZDUSSCGKSA-N 1 0 287.428 3.997 50 0 CHAARO CC[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccc(C)cc12 ZINC000005561848 170114093 /nfs/dbraw/zinc/11/40/93/170114093.db2.gz CZZCNCFZJXNAEH-AWEZNQCLSA-N 1 0 284.403 3.924 50 0 CHAARO C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000005910036 170153408 /nfs/dbraw/zinc/15/34/08/170153408.db2.gz SYAQWOWAKYPVKE-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000006604160 170218417 /nfs/dbraw/zinc/21/84/17/170218417.db2.gz HJCZAXHJTSFZEY-FZMZJTMJSA-N 1 0 294.826 3.755 50 0 CHAARO COc1ccc(CC[NH2+]C/C=C/c2ccccc2)cc1 ZINC000006703307 170230385 /nfs/dbraw/zinc/23/03/85/170230385.db2.gz NHKFDXYROIKQJL-VMPITWQZSA-N 1 0 267.372 3.541 50 0 CHAARO CCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1 ZINC000006745989 170238914 /nfs/dbraw/zinc/23/89/14/170238914.db2.gz CGPXQHLRSFVUHO-ZDUSSCGKSA-N 1 0 257.381 3.603 50 0 CHAARO CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000006746770 170239201 /nfs/dbraw/zinc/23/92/01/170239201.db2.gz MMRUVKKQDQYPPP-UHFFFAOYSA-N 1 0 255.361 3.684 50 0 CHAARO CC[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006788123 170244062 /nfs/dbraw/zinc/24/40/62/170244062.db2.gz CILWEQVQHBKYMA-BDAKNGLRSA-N 1 0 289.206 3.709 50 0 CHAARO CC[NH+](CC)Cc1c(C)[nH]c2c(C)cc(C)cc2c1=O ZINC000008714102 170348653 /nfs/dbraw/zinc/34/86/53/170348653.db2.gz RMIXQXZUHNZVML-UHFFFAOYSA-N 1 0 272.392 3.707 50 0 CHAARO Cc1cccc2c(=O)c(C[NH+]3CCCCCC3)c(C)[nH]c12 ZINC000008714602 170348984 /nfs/dbraw/zinc/34/89/84/170348984.db2.gz NFPJNMWIZIPSSF-UHFFFAOYSA-N 1 0 284.403 3.933 50 0 CHAARO c1cnc2c(c1)cccc2CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000008935662 170359336 /nfs/dbraw/zinc/35/93/36/170359336.db2.gz HMSGAMFZHSIYBJ-HUUCEWRRSA-N 1 0 297.427 3.738 50 0 CHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000009998196 170393960 /nfs/dbraw/zinc/39/39/60/170393960.db2.gz OBBKUSZEBQMHCN-NSHDSACASA-N 1 0 268.198 3.824 50 0 CHAARO [NH3+]Cc1cccc(-c2nc(-c3ccccc3)cs2)c1 ZINC000011851547 170448358 /nfs/dbraw/zinc/44/83/58/170448358.db2.gz UIVBJRVVGHDQJQ-UHFFFAOYSA-N 1 0 266.369 3.936 50 0 CHAARO CC(C)(C)c1ccc(COC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631121 170640341 /nfs/dbraw/zinc/64/03/41/170640341.db2.gz XLOVURHAIXGRDA-HNNXBMFYSA-N 1 0 261.409 3.500 50 0 CHAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000019359444 170776644 /nfs/dbraw/zinc/77/66/44/170776644.db2.gz NZOCCSUBAZMUQL-MAUKXSAKSA-N 1 0 290.426 3.522 50 0 CHAARO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)CCCC(C)(C)O)cc1 ZINC000019607292 170830689 /nfs/dbraw/zinc/83/06/89/170830689.db2.gz NCZBDISAGCYMDK-HZPDHXFCSA-N 1 0 277.452 3.845 50 0 CHAARO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cccc(Cl)c1 ZINC000020124298 171006553 /nfs/dbraw/zinc/00/65/53/171006553.db2.gz BTUJPHUQQIAJRL-LLVKDONJSA-N 1 0 261.752 3.896 50 0 CHAARO CC(C)[C@H](C)[NH2+]Cc1ccccc1Br ZINC000020305407 171141707 /nfs/dbraw/zinc/14/17/07/171141707.db2.gz IXANXMGBNNYZAF-JTQLQIEISA-N 1 0 256.187 3.583 50 0 CHAARO CC(C)[C@@H](C)[NH2+]Cc1ccccc1Br ZINC000020305406 171141851 /nfs/dbraw/zinc/14/18/51/171141851.db2.gz IXANXMGBNNYZAF-SNVBAGLBSA-N 1 0 256.187 3.583 50 0 CHAARO FC(F)(F)Oc1ccc([C@H]2[NH2+]CCc3sccc32)cc1 ZINC000020390597 171179360 /nfs/dbraw/zinc/17/93/60/171179360.db2.gz HTPMFEFHLOIZKI-CYBMUJFWSA-N 1 0 299.317 3.882 50 0 CHAARO COc1ccc([C@H]([NH3+])c2ccccc2)cc1Br ZINC000020522145 171235524 /nfs/dbraw/zinc/23/55/24/171235524.db2.gz LFKWMXRUUQRHBU-CQSZACIVSA-N 1 0 292.176 3.506 50 0 CHAARO COc1ccc(C[C@@H](C)[NH2+]C2CCCCCC2)cc1OC ZINC000020551730 171247392 /nfs/dbraw/zinc/24/73/92/171247392.db2.gz BOSZVZDEZMYTAN-CQSZACIVSA-N 1 0 291.435 3.947 50 0 CHAARO Cc1cccc(C[NH+]2CCC(Cc3ccccc3F)CC2)n1 ZINC000020780706 171272794 /nfs/dbraw/zinc/27/27/94/171272794.db2.gz WTCRGAIINPRRQX-UHFFFAOYSA-N 1 0 298.405 3.984 50 0 CHAARO CCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCCC1 ZINC000021175846 171298876 /nfs/dbraw/zinc/29/88/76/171298876.db2.gz KKCGBHHBOSZEGW-CQSZACIVSA-N 1 0 271.408 3.993 50 0 CHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2C)no1 ZINC000021719792 171320761 /nfs/dbraw/zinc/32/07/61/171320761.db2.gz GJURMXFFCKGFOG-KRWDZBQOSA-N 1 0 270.376 3.937 50 0 CHAARO CCCCn1c2ccccc2nc1[C@H](C)[NH+]1CCCC1 ZINC000021785140 171322658 /nfs/dbraw/zinc/32/26/58/171322658.db2.gz NSCOTBOOBOWWRH-AWEZNQCLSA-N 1 0 271.408 3.993 50 0 CHAARO COc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1OC(F)F ZINC000035137067 172003797 /nfs/dbraw/zinc/00/37/97/172003797.db2.gz KHOFHBMEGNDKAP-JTQLQIEISA-N 1 0 297.301 3.740 50 0 CHAARO C[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(Br)c1 ZINC000035733361 172384522 /nfs/dbraw/zinc/38/45/22/172384522.db2.gz TZTXPIVIGYUQSH-NXEZZACHSA-N 1 0 268.198 3.898 50 0 CHAARO COc1cc(C[N@@H+]2CCCC[C@@H]2C)ccc1OC(F)F ZINC000039985824 174181652 /nfs/dbraw/zinc/18/16/52/174181652.db2.gz IGOJHVDSCRRAHG-NSHDSACASA-N 1 0 285.334 3.671 50 0 CHAARO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000039985618 174181886 /nfs/dbraw/zinc/18/18/86/174181886.db2.gz ANKACNPMXRAYMJ-LJQANCHMSA-N 1 0 297.398 3.945 50 0 CHAARO Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042772194 174871723 /nfs/dbraw/zinc/87/17/23/174871723.db2.gz NXNZKDQUPWVSKJ-LBPRGKRZSA-N 1 0 298.224 3.669 50 0 CHAARO CC(C)c1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000042774709 174873269 /nfs/dbraw/zinc/87/32/69/174873269.db2.gz IFNRFEDHMWVQNW-UHFFFAOYSA-N 1 0 298.224 3.703 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000044871232 175268814 /nfs/dbraw/zinc/26/88/14/175268814.db2.gz BJLCPHUITFRCGN-CYBMUJFWSA-N 1 0 262.378 3.690 50 0 CHAARO CCCc1cn(C2CC[NH+]([C@H](C)CCC(C)C)CC2)nn1 ZINC000048234087 175422350 /nfs/dbraw/zinc/42/23/50/175422350.db2.gz FOVUWYXGJPXPJM-OAHLLOKOSA-N 1 0 292.471 3.692 50 0 CHAARO CC[C@H](C)[NH2+]Cc1ccccc1-c1cccc(O)c1 ZINC000067803425 175792952 /nfs/dbraw/zinc/79/29/52/175792952.db2.gz UMMXNOFGZIDTKL-ZDUSSCGKSA-N 1 0 255.361 3.947 50 0 CHAARO FC(F)(F)c1ccccc1CC[C@@H]1CCC[NH2+]C1 ZINC000071750886 176260085 /nfs/dbraw/zinc/26/00/85/176260085.db2.gz BMFTZLDIFBTFMM-NSHDSACASA-N 1 0 257.299 3.638 50 0 CHAARO COc1ccccc1C(C)(C)[NH2+]Cc1ccsc1 ZINC000071799219 176265701 /nfs/dbraw/zinc/26/57/01/176265701.db2.gz VBFJHURITMHLPJ-UHFFFAOYSA-N 1 0 261.390 3.782 50 0 CHAARO c1cnc2ccc(-c3cccc4c3CC[NH2+]C4)cc2c1 ZINC000072128349 176321160 /nfs/dbraw/zinc/32/11/60/176321160.db2.gz HIAUUVCBTGFLQN-UHFFFAOYSA-N 1 0 260.340 3.548 50 0 CHAARO CC(C)Cc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000072151130 176327304 /nfs/dbraw/zinc/32/73/04/176327304.db2.gz XUSJBBWZBKXRTN-HNNXBMFYSA-N 1 0 294.508 3.863 50 0 CHAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1csc(C(C)=O)c1 ZINC000077288157 177249500 /nfs/dbraw/zinc/24/95/00/177249500.db2.gz AJNZQMQJEZUZTD-HNNXBMFYSA-N 1 0 295.448 3.732 50 0 CHAARO C[N@@H+](Cc1cc(-c2cccnc2)no1)C[C@H]1CC=CCC1 ZINC000077287596 177249655 /nfs/dbraw/zinc/24/96/55/177249655.db2.gz XEPPTQCOXBVISK-AWEZNQCLSA-N 1 0 283.375 3.525 50 0 CHAARO C[N@@H+](Cc1cccs1)C[C@H]1CCN(c2ccccc2)C1 ZINC000077323129 177252373 /nfs/dbraw/zinc/25/23/73/177252373.db2.gz XHHYFCMWBQYGJP-OAHLLOKOSA-N 1 0 286.444 3.706 50 0 CHAARO Cc1nc(CN2CCC[C@H]2c2nc3ccccc3s2)co1 ZINC000077343947 177254370 /nfs/dbraw/zinc/25/43/70/177254370.db2.gz LXLRPZQNRAGRSG-AWEZNQCLSA-N 1 0 299.399 3.930 50 0 CHAARO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C(C1CC1)C1CC1 ZINC000020131049 262230545 /nfs/dbraw/zinc/23/05/45/262230545.db2.gz YFKFAAMDCHJBOZ-GFCCVEGCSA-N 1 0 287.403 3.515 50 0 CHAARO Cc1ccc([C@H]([NH2+]C2CCOCC2)c2cccnc2)cc1C ZINC000534631019 328331321 /nfs/dbraw/zinc/33/13/21/328331321.db2.gz FHLBISIRQZTILH-IBGZPJMESA-N 1 0 296.414 3.556 50 0 CHAARO CCSC[C@H](C)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000534641475 328336267 /nfs/dbraw/zinc/33/62/67/328336267.db2.gz CKYIXSVKVQOQRE-NSHDSACASA-N 1 0 294.395 3.712 50 0 CHAARO c1ccc2cc(OCC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000014632379 326844408 /nfs/dbraw/zinc/84/44/08/326844408.db2.gz ZWOFPTCLPBLWBL-CQSZACIVSA-N 1 0 255.361 3.608 50 0 CHAARO O[C@H](C[NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000019872049 326857605 /nfs/dbraw/zinc/85/76/05/326857605.db2.gz ICQOIJORMATPJZ-OAHLLOKOSA-N 1 0 296.197 3.817 50 0 CHAARO Fc1ccc(C[NH2+]CCCc2ccccc2F)cc1 ZINC000475557732 331636887 /nfs/dbraw/zinc/63/68/87/331636887.db2.gz DCTCXEQANGGWON-UHFFFAOYSA-N 1 0 261.315 3.687 50 0 CHAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]Cc1cccnc1 ZINC000176636759 335315323 /nfs/dbraw/zinc/31/53/23/335315323.db2.gz VHIMWFDRLBRGBF-INIZCTEOSA-N 1 0 280.371 3.618 50 0 CHAARO CC(C)[C@H]([NH2+]C[C@@H]1CC=CCC1)c1nc(C2CC2)no1 ZINC000122949979 519820722 /nfs/dbraw/zinc/82/07/22/519820722.db2.gz JSERQIRYJMGKNG-OCCSQVGLSA-N 1 0 275.396 3.590 50 0 CHAARO CC[NH+](CC)CCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000019872521 520686541 /nfs/dbraw/zinc/68/65/41/520686541.db2.gz QVKMLSFTEDTHLE-UHFFFAOYSA-N 1 0 290.382 3.517 50 0 CHAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000239287397 523571389 /nfs/dbraw/zinc/57/13/89/523571389.db2.gz CRUFBTYGTDNZMU-YESZJQIVSA-N 1 0 259.393 3.611 50 0 CHAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCN(C)C)o1 ZINC000019872344 525751138 /nfs/dbraw/zinc/75/11/38/525751138.db2.gz LBOAWNNPWBTDQF-UHFFFAOYSA-N 1 0 292.810 3.560 50 0 CHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CCc2ccccc2C)C1 ZINC000012316635 527212058 /nfs/dbraw/zinc/21/20/58/527212058.db2.gz NNVMXJYTVORANY-KRWDZBQOSA-N 1 0 297.446 3.871 50 0 CHAARO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000192689160 527534757 /nfs/dbraw/zinc/53/47/57/527534757.db2.gz RWKVDGSNAQPGEI-GOFCXVBSSA-N 1 0 297.446 3.661 50 0 CHAARO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](C)c2ccsc2)cn1 ZINC000096478886 528575045 /nfs/dbraw/zinc/57/50/45/528575045.db2.gz FJBLTJLVJXQILC-QWHCGFSZSA-N 1 0 277.437 3.980 50 0 CHAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COC(C)(C)C ZINC000036099387 566992947 /nfs/dbraw/zinc/99/29/47/566992947.db2.gz YOFBTXGSANEOPO-HIFRSBDPSA-N 1 0 299.480 3.525 50 0 CHAARO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000134912071 567929602 /nfs/dbraw/zinc/92/96/02/567929602.db2.gz YGYKRTPNDDCTIZ-VHSXEESVSA-N 1 0 291.361 3.938 50 0 CHAARO c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000084598425 566885956 /nfs/dbraw/zinc/88/59/56/566885956.db2.gz UTBZSIKFIQSCSN-IBGZPJMESA-N 1 0 294.442 3.900 50 0 CHAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1Sc1cccc(Cl)n1 ZINC000043191067 566917467 /nfs/dbraw/zinc/91/74/67/566917467.db2.gz NIKHTMIIWYEDBO-RYUDHWBXSA-N 1 0 284.856 3.948 50 0 CHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C[C@@H]3CC=CCC3)CC2)C1 ZINC000224087082 566950802 /nfs/dbraw/zinc/95/08/02/566950802.db2.gz PRIBEPJSCZVEBS-KZNAEPCWSA-N 1 0 276.468 3.539 50 0 CHAARO CCOC(=O)[C@@H]1CCC[C@@H](C[N@H+]([C@H](C)C(C)C)C2CC2)C1 ZINC000225386516 566951406 /nfs/dbraw/zinc/95/14/06/566951406.db2.gz BERZTNXWTQQVHJ-BZUAXINKSA-N 1 0 295.467 3.865 50 0 CHAARO C[N@H+](CCCNc1nc2ccccc2o1)Cc1ccccc1 ZINC000026082550 566962622 /nfs/dbraw/zinc/96/26/22/566962622.db2.gz BFECOYHZMIJIGL-UHFFFAOYSA-N 1 0 295.386 3.762 50 0 CHAARO C[C@H]1[C@H](O)[C@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000239305970 566965845 /nfs/dbraw/zinc/96/58/45/566965845.db2.gz GGCLDJYYOISOSI-ACJWMLNOSA-N 1 0 281.399 3.705 50 0 CHAARO CCC[N@@H+]1C[C@H](C)[C@](OC(C)=O)(c2ccccc2)C[C@H]1C ZINC000245377384 566968899 /nfs/dbraw/zinc/96/88/99/566968899.db2.gz KOICPRXXJBUEBL-DAYGRLMNSA-N 1 0 289.419 3.585 50 0 CHAARO CC[NH+](CC)Cc1ccccc1NC(=O)c1ccccc1 ZINC000046339666 566976735 /nfs/dbraw/zinc/97/67/35/566976735.db2.gz MRADVHYFZMOFAN-UHFFFAOYSA-N 1 0 282.387 3.781 50 0 CHAARO CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000036098650 566994725 /nfs/dbraw/zinc/99/47/25/566994725.db2.gz CWFMGLCMPNSLFA-KRWDZBQOSA-N 1 0 287.403 3.751 50 0 CHAARO CC[C@@](C)([NH2+]CC[C@H]1CCCCO1)c1nc(C)cs1 ZINC000170076839 567006121 /nfs/dbraw/zinc/00/61/21/567006121.db2.gz QQIAVNYMQSXZIM-UKRRQHHQSA-N 1 0 282.453 3.626 50 0 CHAARO C[N@H+](CCCOCc1ccccc1)C(C1CC1)C1CC1 ZINC000170594608 567012621 /nfs/dbraw/zinc/01/26/21/567012621.db2.gz IFGQOPFYJPOLIZ-UHFFFAOYSA-N 1 0 273.420 3.714 50 0 CHAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccs2)C12CCCCC2 ZINC000076021628 567028400 /nfs/dbraw/zinc/02/84/00/567028400.db2.gz YNAMHGMOSRGRJM-HUUCEWRRSA-N 1 0 279.449 3.966 50 0 CHAARO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1 ZINC000090100488 567032876 /nfs/dbraw/zinc/03/28/76/567032876.db2.gz RNEWVPWFYIIHIL-MAZHCROVSA-N 1 0 285.366 3.603 50 0 CHAARO c1coc(C[NH2+][C@@H]2CCCSc3ccccc32)c1 ZINC000095419187 567039079 /nfs/dbraw/zinc/03/90/79/567039079.db2.gz SPERLRJDECKECP-CQSZACIVSA-N 1 0 259.374 3.996 50 0 CHAARO CC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(F)cc2)N1O ZINC000033396768 567088223 /nfs/dbraw/zinc/08/82/23/567088223.db2.gz IJMLLBTXHQHZMQ-KRWDZBQOSA-N 1 0 299.325 3.871 50 0 CHAARO Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@H]3C)c2cc1C ZINC000002328720 567100769 /nfs/dbraw/zinc/10/07/69/567100769.db2.gz RYRCCGJUKBRKPO-CQSZACIVSA-N 1 0 285.387 3.784 50 0 CHAARO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](C)c2cccs2)cn1 ZINC000095422760 567130707 /nfs/dbraw/zinc/13/07/07/567130707.db2.gz VHAKQNZQLUUHTP-CHWSQXEVSA-N 1 0 277.437 3.980 50 0 CHAARO Cc1ccc([C@@H]([NH2+]C2CCOCC2)c2ccccc2)cc1 ZINC000095419056 567130793 /nfs/dbraw/zinc/13/07/93/567130793.db2.gz VTTHYKGYTUUSFO-IBGZPJMESA-N 1 0 281.399 3.853 50 0 CHAARO Cc1noc(C)c1CC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000095422127 567130901 /nfs/dbraw/zinc/13/09/01/567130901.db2.gz YSEASXYLTLHARB-QGZVFWFLSA-N 1 0 287.407 3.606 50 0 CHAARO CCc1nc(CC[NH2+][C@H](C)c2ccco2)sc1C ZINC000095421591 567131066 /nfs/dbraw/zinc/13/10/66/567131066.db2.gz KBIAOIXZYQUTMX-SNVBAGLBSA-N 1 0 264.394 3.500 50 0 CHAARO C[C@H]([NH2+]CC1(c2cccs2)CCCC1)c1cnccn1 ZINC000095421411 567132394 /nfs/dbraw/zinc/13/23/94/567132394.db2.gz ANJAGBBPAHMPKU-ZDUSSCGKSA-N 1 0 287.432 3.701 50 0 CHAARO Cc1nc(CC[NH2+][C@@H](c2ccc(F)cn2)C(C)C)cs1 ZINC000095466840 567136707 /nfs/dbraw/zinc/13/67/07/567136707.db2.gz FHBRVPAJVUWYQZ-OAHLLOKOSA-N 1 0 293.411 3.515 50 0 CHAARO COC(=O)c1cccc(C[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000096027733 567138283 /nfs/dbraw/zinc/13/82/83/567138283.db2.gz ROVWSYVARIHTJN-OAHLLOKOSA-N 1 0 297.398 3.536 50 0 CHAARO CCCC[NH2+]C[C@H]1COc2c(C)ccc(C(C)C)c2C1=O ZINC000096026815 567138598 /nfs/dbraw/zinc/13/85/98/567138598.db2.gz PTTGTFKNALLHOF-AWEZNQCLSA-N 1 0 289.419 3.699 50 0 CHAARO CCCC[NH2+]C[C@@H]1COc2c(C)ccc(C(C)C)c2C1=O ZINC000096026814 567138625 /nfs/dbraw/zinc/13/86/25/567138625.db2.gz PTTGTFKNALLHOF-CQSZACIVSA-N 1 0 289.419 3.699 50 0 CHAARO Cc1ccccc1[C@@H]1[C@H](C)CCC[C@H]1OCC[NH+](C)C ZINC000230213545 567160878 /nfs/dbraw/zinc/16/08/78/567160878.db2.gz MBPBUYNCPNBLHG-NXHRZFHOSA-N 1 0 275.436 3.845 50 0 CHAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1c(C)ccc2ncccc21 ZINC000670453893 567182363 /nfs/dbraw/zinc/18/23/63/567182363.db2.gz JGAYDEPZCNNSME-CQSZACIVSA-N 1 0 286.419 3.836 50 0 CHAARO CC[NH+](CC)CCNc1ccnc2cc(Cl)ccc21 ZINC000000006792 567816438 /nfs/dbraw/zinc/81/64/38/567816438.db2.gz OJGAAQMNLKYWSQ-UHFFFAOYSA-N 1 0 277.799 3.642 50 0 CHAARO C[NH2+]Cc1ccccc1Sc1ccc(OC)cc1 ZINC000000011294 567816598 /nfs/dbraw/zinc/81/65/98/567816598.db2.gz MZFMWBVFRIBICR-UHFFFAOYSA-N 1 0 259.374 3.566 50 0 CHAARO COc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000000128534 567819532 /nfs/dbraw/zinc/81/95/32/567819532.db2.gz JRAMFTJOIYKHIM-UHFFFAOYSA-N 1 0 296.414 3.772 50 0 CHAARO O=C(CC[NH+]1CCCCCC1)Nc1ccccc1Cl ZINC000000176515 567821526 /nfs/dbraw/zinc/82/15/26/567821526.db2.gz VESSZQBEFQCLDG-UHFFFAOYSA-N 1 0 280.799 3.545 50 0 CHAARO Cc1c(Cl)cccc1NC(=O)CC[NH+]1CCCCCC1 ZINC000000176188 567821468 /nfs/dbraw/zinc/82/14/68/567821468.db2.gz AYDXIHVOBGTGMF-UHFFFAOYSA-N 1 0 294.826 3.853 50 0 CHAARO CCOc1ccc2ccccc2c1C[NH2+]Cc1ccccn1 ZINC000000360648 567826609 /nfs/dbraw/zinc/82/66/09/567826609.db2.gz VALOPOCGWCCTPC-UHFFFAOYSA-N 1 0 292.382 3.923 50 0 CHAARO Cc1ccsc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000359707 567826683 /nfs/dbraw/zinc/82/66/83/567826683.db2.gz JWPJKCJVNRSKQI-UHFFFAOYSA-N 1 0 261.434 3.971 50 0 CHAARO COc1cc(C)c(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000000757754 567834662 /nfs/dbraw/zinc/83/46/62/567834662.db2.gz VOCITIISMLBSFE-STQMWFEESA-N 1 0 261.409 3.790 50 0 CHAARO CCCCCC[C@@H](C(=O)OC(C)C)[NH+]1CCCCC1 ZINC000096026412 567835082 /nfs/dbraw/zinc/83/50/82/567835082.db2.gz RTFRDOBETQOWMF-HNNXBMFYSA-N 1 0 269.429 3.763 50 0 CHAARO O[C@@H](c1ccccc1)C1([NH+]2CCCCC2)CCCCC1 ZINC000001688510 567841605 /nfs/dbraw/zinc/84/16/05/567841605.db2.gz AJESULDYRGRWRS-KRWDZBQOSA-N 1 0 273.420 3.909 50 0 CHAARO CCC[N@H+](CCC(=O)Nc1ccccc1Cl)CC1CC1 ZINC000002765194 567849090 /nfs/dbraw/zinc/84/90/90/567849090.db2.gz FJNCXUPRTJHOSY-UHFFFAOYSA-N 1 0 294.826 3.791 50 0 CHAARO COC(=O)c1ccc(C[NH2+][C@@H](c2cccs2)C(C)C)o1 ZINC000035046627 567852869 /nfs/dbraw/zinc/85/28/69/567852869.db2.gz NBBXNFIEZQCPDJ-CQSZACIVSA-N 1 0 293.388 3.615 50 0 CHAARO C[NH+](C)CCO[C@H]1c2ccccc2CSc2ccccc21 ZINC000003640775 567853221 /nfs/dbraw/zinc/85/32/21/567853221.db2.gz ILKVRKZECSOYMM-SFHVURJKSA-N 1 0 299.439 3.960 50 0 CHAARO C[C@@H]([NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000003708667 567853544 /nfs/dbraw/zinc/85/35/44/567853544.db2.gz KUWRUGPKOMAJOU-SSDOTTSWSA-N 1 0 283.194 3.592 50 0 CHAARO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000003888073 567854247 /nfs/dbraw/zinc/85/42/47/567854247.db2.gz SANRRHHXBTYEIV-UHFFFAOYSA-N 1 0 271.404 3.754 50 0 CHAARO C[C@@H]([NH2+]C1CCCCC1)[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000004363350 567856941 /nfs/dbraw/zinc/85/69/41/567856941.db2.gz QHPUFCJLHPLOQB-ZPHDHXEYSA-N 1 0 291.479 3.875 50 0 CHAARO COCCNc1cc(-c2ccccc2)[nH+]c2ccccc12 ZINC000004336332 567857041 /nfs/dbraw/zinc/85/70/41/567857041.db2.gz PEIIFDWFMJRMGN-UHFFFAOYSA-N 1 0 278.355 3.960 50 0 CHAARO CCOc1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000004657554 567858919 /nfs/dbraw/zinc/85/89/19/567858919.db2.gz KFLMEHICAIRPBS-UHFFFAOYSA-N 1 0 259.324 3.514 50 0 CHAARO Cc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000004980592 567859193 /nfs/dbraw/zinc/85/91/93/567859193.db2.gz LORZPHVUVIUFIS-UHFFFAOYSA-N 1 0 294.442 3.934 50 0 CHAARO COc1ccc(CC[NH3+])cc1-c1cc2ccccc2o1 ZINC000032561816 567861791 /nfs/dbraw/zinc/86/17/91/567861791.db2.gz BFRXRQBDDRLCBK-UHFFFAOYSA-N 1 0 267.328 3.610 50 0 CHAARO COc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1C ZINC000012163602 567862192 /nfs/dbraw/zinc/86/21/92/567862192.db2.gz SHVADMUZIRGVLO-HNNXBMFYSA-N 1 0 297.398 3.787 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000032576383 567862445 /nfs/dbraw/zinc/86/24/45/567862445.db2.gz UPCQDGVAQASFSA-CABCVRRESA-N 1 0 293.451 3.633 50 0 CHAARO Cc1cccc(C)c1Oc1ncccc1C[NH2+]C(C)C ZINC000012308982 567862528 /nfs/dbraw/zinc/86/25/28/567862528.db2.gz YZNBZMOHAMMWNK-UHFFFAOYSA-N 1 0 270.376 3.989 50 0 CHAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000004336974 567863663 /nfs/dbraw/zinc/86/36/63/567863663.db2.gz MQENFRBYUSXJEN-CQSZACIVSA-N 1 0 284.403 3.924 50 0 CHAARO Cc1c([C@H](C)[NH2+]CC(C)(C)C)cnn1-c1ccccc1 ZINC000012430997 567863683 /nfs/dbraw/zinc/86/36/83/567863683.db2.gz GMFRTEGRTFLEDE-ZDUSSCGKSA-N 1 0 271.408 3.877 50 0 CHAARO Cc1ccc(-[n+]2cn(C(C)(C)C)nc2-c2ccccc2)cc1 ZINC000032815317 567868731 /nfs/dbraw/zinc/86/87/31/567868731.db2.gz ORTSQOPCNGHSST-UHFFFAOYSA-N 1 0 292.406 3.890 50 0 CHAARO Clc1ccc(O[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000014631784 567869415 /nfs/dbraw/zinc/86/94/15/567869415.db2.gz AMVSVXLRTIMQLA-LLVKDONJSA-N 1 0 261.752 3.624 50 0 CHAARO [NH2+]=C(Nc1ccc(Br)cc1)c1ccccc1 ZINC000015919603 567871864 /nfs/dbraw/zinc/87/18/64/567871864.db2.gz KISLNXLIXJPKKE-UHFFFAOYSA-N 1 0 275.149 3.887 50 0 CHAARO Cc1ccc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000016193425 567872136 /nfs/dbraw/zinc/87/21/36/567872136.db2.gz BSCUWRHXLUUACY-CALCHBBNSA-N 1 0 291.435 3.572 50 0 CHAARO C[C@H](C[NH2+]Cc1cccs1)Oc1ccc(Cl)cc1 ZINC000019738135 567878835 /nfs/dbraw/zinc/87/88/35/567878835.db2.gz QSNJJDBPSWJVHH-LLVKDONJSA-N 1 0 281.808 3.959 50 0 CHAARO CC[C@H]1CCCC[N@@H+]1CCCn1cnc2ccccc21 ZINC000019744734 567878875 /nfs/dbraw/zinc/87/88/75/567878875.db2.gz LXNQKACMCHMKRX-HNNXBMFYSA-N 1 0 271.408 3.691 50 0 CHAARO Fc1ccc(CN2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019842509 567879263 /nfs/dbraw/zinc/87/92/63/567879263.db2.gz ZBRJURSSFBOBGU-UHFFFAOYSA-N 1 0 290.426 3.666 50 0 CHAARO Cc1ccccc1CN1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000019789327 567879366 /nfs/dbraw/zinc/87/93/66/567879366.db2.gz JJINYRCDIFJXFF-VQIMIIECSA-N 1 0 286.463 3.691 50 0 CHAARO O[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000019872047 567879624 /nfs/dbraw/zinc/87/96/24/567879624.db2.gz ICQOIJORMATPJZ-HNNXBMFYSA-N 1 0 296.197 3.817 50 0 CHAARO CCCCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019901499 567879668 /nfs/dbraw/zinc/87/96/68/567879668.db2.gz RPFYUMIFJCCCFB-UHFFFAOYSA-N 1 0 274.177 3.868 50 0 CHAARO CCCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000028291883 567883391 /nfs/dbraw/zinc/88/33/91/567883391.db2.gz ZIEQJYRJCBGBSX-KRWDZBQOSA-N 1 0 288.435 3.520 50 0 CHAARO Clc1ccc(OCCC2CC[NH2+]CC2)cc1Cl ZINC000033962972 567887088 /nfs/dbraw/zinc/88/70/88/567887088.db2.gz ZGWTWYRKDWQSGR-UHFFFAOYSA-N 1 0 274.191 3.762 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)c1 ZINC000016662629 567887752 /nfs/dbraw/zinc/88/77/52/567887752.db2.gz IWSJNYGMEDQMRG-PBHICJAKSA-N 1 0 272.436 3.614 50 0 CHAARO Cc1ccc(C)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000035120314 567889043 /nfs/dbraw/zinc/88/90/43/567889043.db2.gz OUNBINGWDMQQAL-UHFFFAOYSA-N 1 0 268.404 3.942 50 0 CHAARO CC(C)c1cc(Br)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042770432 567891515 /nfs/dbraw/zinc/89/15/15/567891515.db2.gz NKHGIBJNKQSKPE-LLVKDONJSA-N 1 0 298.224 3.561 50 0 CHAARO Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770862 567891591 /nfs/dbraw/zinc/89/15/91/567891591.db2.gz XWDREOFGFGKLBT-LBPRGKRZSA-N 1 0 253.773 3.559 50 0 CHAARO Clc1cc(Cl)c(OC[C@H]2CC[NH2+]C2)cc1Cl ZINC000042772336 567891676 /nfs/dbraw/zinc/89/16/76/567891676.db2.gz YKMNRGDEMOIOLL-ZETCQYMHSA-N 1 0 280.582 3.635 50 0 CHAARO CCc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770893 567891745 /nfs/dbraw/zinc/89/17/45/567891745.db2.gz PWGNABJESQSLPJ-CYBMUJFWSA-N 1 0 267.800 3.813 50 0 CHAARO CC(C)(C)c1ccc(COCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042772016 567891772 /nfs/dbraw/zinc/89/17/72/567891772.db2.gz QWQPFXJJGFEFKC-HNNXBMFYSA-N 1 0 275.436 3.890 50 0 CHAARO [NH3+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000042947781 567892057 /nfs/dbraw/zinc/89/20/57/567892057.db2.gz WAVNJCYHNSLOSR-OAHLLOKOSA-N 1 0 261.752 3.557 50 0 CHAARO CC(C)(C)c1cc(Cl)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042775320 567892060 /nfs/dbraw/zinc/89/20/60/567892060.db2.gz RFNZEIUVQYRMGZ-LBPRGKRZSA-N 1 0 267.800 3.768 50 0 CHAARO CC(C)(C)c1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775356 567892169 /nfs/dbraw/zinc/89/21/69/567892169.db2.gz DGPMLYHFHXDDTR-UHFFFAOYSA-N 1 0 267.800 3.768 50 0 CHAARO CCCC[NH2+][C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004603260 567892867 /nfs/dbraw/zinc/89/28/67/567892867.db2.gz GIICTNPUJIMYDY-GOSISDBHSA-N 1 0 294.398 3.731 50 0 CHAARO Nc1c2c([nH+]c3cccc(F)c13)N(c1ccccc1)CC2 ZINC000004623589 567894491 /nfs/dbraw/zinc/89/44/91/567894491.db2.gz QEXNRITWQOKEBQ-UHFFFAOYSA-N 1 0 279.318 3.650 50 0 CHAARO CC(C)Oc1ccc(CC[C@H](C)[NH2+]C2CCOCC2)cc1 ZINC000095420545 567894593 /nfs/dbraw/zinc/89/45/93/567894593.db2.gz USOLXJDNKUSQBJ-HNNXBMFYSA-N 1 0 291.435 3.564 50 0 CHAARO CC(=O)c1c(F)cccc1NCC[NH+](C(C)C)C(C)C ZINC000058304036 567896101 /nfs/dbraw/zinc/89/61/01/567896101.db2.gz ITTSYZCQBVUMBE-UHFFFAOYSA-N 1 0 280.387 3.559 50 0 CHAARO CCc1cc([C@H]2CCCN2Cc2ccc(F)c(F)c2)on1 ZINC000064666927 567898116 /nfs/dbraw/zinc/89/81/16/567898116.db2.gz BBNQPNYPCTUXMJ-OAHLLOKOSA-N 1 0 292.329 3.852 50 0 CHAARO c1ccc2ncc(-c3ccc(C[NH+]4CCCC4)cn3)cc2c1 ZINC000065396899 567899044 /nfs/dbraw/zinc/89/90/44/567899044.db2.gz MVYPFXHOKCXZPK-UHFFFAOYSA-N 1 0 289.382 3.893 50 0 CHAARO CC[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067741145 567900290 /nfs/dbraw/zinc/90/02/90/567900290.db2.gz NYAGTEBEDHQWBV-UHFFFAOYSA-N 1 0 283.371 3.582 50 0 CHAARO Cc1cnc(C)c(Oc2ccccc2C[NH+]2CCCCC2)n1 ZINC000067770018 567900522 /nfs/dbraw/zinc/90/05/22/567900522.db2.gz UFBJHHGDOFQVKS-UHFFFAOYSA-N 1 0 297.402 3.872 50 0 CHAARO COc1ccc(-c2cn[nH]c2)cc1C[NH2+]C1CCCCCC1 ZINC000067817300 567900553 /nfs/dbraw/zinc/90/05/53/567900553.db2.gz NAVBUUNIPYMYTG-UHFFFAOYSA-N 1 0 299.418 3.898 50 0 CHAARO Cc1ccc2cc(C[N@@H+]3CCC4(CCCC4)C3)c(=O)[nH]c2c1 ZINC000067974989 567900866 /nfs/dbraw/zinc/90/08/66/567900866.db2.gz BHAORIISBATIEK-UHFFFAOYSA-N 1 0 296.414 3.603 50 0 CHAARO Fc1cc(Cl)cc(-c2nccn2CC2CCOCC2)c1 ZINC000071761476 567901831 /nfs/dbraw/zinc/90/18/31/567901831.db2.gz HOYJYAMHIOYQOA-UHFFFAOYSA-N 1 0 294.757 3.769 50 0 CHAARO CN1CCc2c1[nH+]c1ccccc1c2Nc1ccccc1 ZINC000071772793 567902241 /nfs/dbraw/zinc/90/22/41/567902241.db2.gz LACVDDNSKFALKP-UHFFFAOYSA-N 1 0 275.355 3.971 50 0 CHAARO Fc1ccc(-c2nccn2CC[NH+]2CCCCCC2)cc1 ZINC000072426000 567902531 /nfs/dbraw/zinc/90/25/31/567902531.db2.gz BKADTXBZECOJAK-UHFFFAOYSA-N 1 0 287.382 3.565 50 0 CHAARO [NH3+]CCCCCn1ccnc1-c1c(Cl)cccc1Cl ZINC000072473935 567902954 /nfs/dbraw/zinc/90/29/54/567902954.db2.gz RNGSUWNMCAWYJR-UHFFFAOYSA-N 1 0 298.217 3.986 50 0 CHAARO C[NH+](C)CCOc1ccccc1-c1ccc2[nH]ccc2c1 ZINC000096150857 567909785 /nfs/dbraw/zinc/90/97/85/567909785.db2.gz YNYAYETVBAOOHZ-UHFFFAOYSA-N 1 0 280.371 3.775 50 0 CHAARO CC(=O)Nc1sc2c(c1C[NH+]1CCCCC1)CCCC2 ZINC000000188911 567924649 /nfs/dbraw/zinc/92/46/49/567924649.db2.gz NDQLANSRWPQUOT-UHFFFAOYSA-N 1 0 292.448 3.571 50 0 CHAARO c1ccc(OC[C@@H]([NH2+]C2CCOCC2)c2ccccc2)cc1 ZINC000408513807 567927563 /nfs/dbraw/zinc/92/75/63/567927563.db2.gz KRWDIEIQBVVICY-LJQANCHMSA-N 1 0 297.398 3.575 50 0 CHAARO COc1ccc(CC[NH2+]Cc2cccc3cccnc32)cc1 ZINC000073448883 567928884 /nfs/dbraw/zinc/92/88/84/567928884.db2.gz UFBKHHSWYVXPQB-UHFFFAOYSA-N 1 0 292.382 3.576 50 0 CHAARO Cc1cnc(CC[NH2+][C@H]2CCSc3ccccc32)s1 ZINC000095423292 567931600 /nfs/dbraw/zinc/93/16/00/567931600.db2.gz NPNPQKKMYFUYJI-ZDUSSCGKSA-N 1 0 290.457 3.821 50 0 CHAARO Cc1cc(C[NH2+]C[C@H](C)c2cccc(Cl)c2)on1 ZINC000188263473 567931614 /nfs/dbraw/zinc/93/16/14/567931614.db2.gz YKLVKIQTJVQJGZ-JTQLQIEISA-N 1 0 264.756 3.530 50 0 CHAARO C[C@@H]1C[C@]2(C[C@@H](C)[N@@H+](C)C[C@H]2C)Nc2ccccc21 ZINC000101112151 567937099 /nfs/dbraw/zinc/93/70/99/567937099.db2.gz DSXWYDFCIRWJDM-VMUDFCTBSA-N 1 0 258.409 3.705 50 0 CHAARO Cc1cc(C)cc(C[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000049900533 567946728 /nfs/dbraw/zinc/94/67/28/567946728.db2.gz CLEJVXUTFXKMCI-LJQANCHMSA-N 1 0 282.431 3.696 50 0 CHAARO Cc1ccc(-c2c(C)n(O)cc(-c3ccccc3)[n+]2=O)cc1 ZINC000136255047 567946789 /nfs/dbraw/zinc/94/67/89/567946789.db2.gz VRGKWEQYFVWOGU-UHFFFAOYSA-N 1 0 293.346 3.591 50 0 CHAARO CC[NH+](CC)Cc1cccnc1Oc1ccccc1OC ZINC000221272250 567948612 /nfs/dbraw/zinc/94/86/12/567948612.db2.gz XYQWTEFCWBXSTB-UHFFFAOYSA-N 1 0 286.375 3.724 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000225480005 567953617 /nfs/dbraw/zinc/95/36/17/567953617.db2.gz MUNOEHIQUHMUQD-KRWDZBQOSA-N 1 0 269.392 3.584 50 0 CHAARO c1ccc2c(c1)CC(C[NH2+][C@@H]1CCOc3ccccc31)C2 ZINC000225545168 567953858 /nfs/dbraw/zinc/95/38/58/567953858.db2.gz HUHYTOMURBQNOR-GOSISDBHSA-N 1 0 279.383 3.515 50 0 CHAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000011879746 570220704 /nfs/dbraw/zinc/22/07/04/570220704.db2.gz KFDBIWMJGIWFNG-CYBMUJFWSA-N 1 0 277.795 3.787 50 0 CHAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OC ZINC000004685498 570215923 /nfs/dbraw/zinc/21/59/23/570215923.db2.gz YLNHVEHXYXVMFO-UHFFFAOYSA-N 1 0 263.381 3.516 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+](C)[C@@H](C)Cc1ccccn1 ZINC000065531741 570244368 /nfs/dbraw/zinc/24/43/68/570244368.db2.gz JYLLYGCUNMLEOS-GOFCXVBSSA-N 1 0 270.376 3.641 50 0 CHAARO C[C@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)c1nccn1C ZINC000097038234 570251648 /nfs/dbraw/zinc/25/16/48/570251648.db2.gz NGZNXLOSGINMSB-BBRMVZONSA-N 1 0 283.419 3.784 50 0 CHAARO CC[C@@H]([NH3+])C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000129503117 570269231 /nfs/dbraw/zinc/26/92/31/570269231.db2.gz XCFJBCVSMVGXHZ-SCLBCKFNSA-N 1 0 296.414 3.629 50 0 CHAARO Cc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cs1 ZINC000057992732 570284153 /nfs/dbraw/zinc/28/41/53/570284153.db2.gz OGPIIQNISNHCMS-UHFFFAOYSA-N 1 0 290.407 3.518 50 0 CHAARO Cc1ccc(-c2ccc(CN(C)Cc3ncc[nH]3)cc2)o1 ZINC000215196308 570302348 /nfs/dbraw/zinc/30/23/48/570302348.db2.gz JHRRJSNEWXLTCO-UHFFFAOYSA-N 1 0 281.359 3.610 50 0 CHAARO C[N@H+](Cc1cccc2cc[nH]c21)[C@@H]1CCOC(C)(C)C1 ZINC000216469029 570305499 /nfs/dbraw/zinc/30/54/99/570305499.db2.gz JQVYUNQVHJGIBP-OAHLLOKOSA-N 1 0 272.392 3.557 50 0 CHAARO Clc1cccc(CN2c3ccccc3N3CC[NH+]=C23)c1 ZINC000220968775 570310918 /nfs/dbraw/zinc/31/09/18/570310918.db2.gz MEKORBXMKLKSSR-UHFFFAOYSA-N 1 0 283.762 3.536 50 0 CHAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000230136034 570317083 /nfs/dbraw/zinc/31/70/83/570317083.db2.gz VXAOILQJGGWAGN-FUHWJXTLSA-N 1 0 286.419 3.800 50 0 CHAARO CC[C@@H](c1ccccn1)N(C)Cc1nc2cc(C)ccc2[nH]1 ZINC000244718791 570320891 /nfs/dbraw/zinc/32/08/91/570320891.db2.gz LQWPIMMLAYZDGJ-KRWDZBQOSA-N 1 0 294.402 3.849 50 0 CHAARO Cc1nccn1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000244811494 570320766 /nfs/dbraw/zinc/32/07/66/570320766.db2.gz SDTOGCXUMXSOFT-QGZVFWFLSA-N 1 0 287.382 3.558 50 0 CHAARO CCCC[N@@H+]1CC[C@@](OC(=O)CC)(c2ccccc2)[C@H]1C ZINC000255982138 570356091 /nfs/dbraw/zinc/35/60/91/570356091.db2.gz JWNRFLRVCDPGEC-QAPCUYQASA-N 1 0 289.419 3.729 50 0 CHAARO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000037089785 570362455 /nfs/dbraw/zinc/36/24/55/570362455.db2.gz WVXMFHCSHXIRQN-JTQLQIEISA-N 1 0 265.353 3.747 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119209 570362620 /nfs/dbraw/zinc/36/26/20/570362620.db2.gz RHYQFWXQSWYBTH-OAHLLOKOSA-N 1 0 275.371 3.734 50 0 CHAARO C[C@H]([NH2+][C@H]1C[C@@H]2CCCc3cccc1c32)c1cnccn1 ZINC000090974631 570371458 /nfs/dbraw/zinc/37/14/58/570371458.db2.gz DWSHQHCTHHVTQY-NOLJZWGESA-N 1 0 279.387 3.692 50 0 CHAARO C[NH2+][C@H](c1ccccc1)[C@H]1c2cccc3cccc(c23)[C@H]1O ZINC000252427038 570374495 /nfs/dbraw/zinc/37/44/95/570374495.db2.gz SLVDRYPCLUHEDO-VAMGGRTRSA-N 1 0 289.378 3.931 50 0 CHAARO Cc1cc(C)c2oc(=O)cc(C[NH+]3CCC(C)CC3)c2c1 ZINC000002196553 570375501 /nfs/dbraw/zinc/37/55/01/570375501.db2.gz FRTLAQPYRXAGJC-UHFFFAOYSA-N 1 0 285.387 3.642 50 0 CHAARO CC[C@@H](C)[C@@H]([NH2+]Cc1nccn1C)c1ccc(Cl)cc1 ZINC000253417922 570385408 /nfs/dbraw/zinc/38/54/08/570385408.db2.gz NIKWKRILYGAPOL-MLGOLLRUSA-N 1 0 291.826 3.951 50 0 CHAARO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCc1ccc(C)cc1 ZINC000253430928 570385710 /nfs/dbraw/zinc/38/57/10/570385710.db2.gz YLIJJKMXTWJCNY-SFHVURJKSA-N 1 0 297.446 3.981 50 0 CHAARO Cc1ccc2[nH]cc(C(=O)C[N@@H+](C)C3CCCCC3)c2c1 ZINC000002416232 570393757 /nfs/dbraw/zinc/39/37/57/570393757.db2.gz YUQGKLRRJCBIRJ-UHFFFAOYSA-N 1 0 284.403 3.924 50 0 CHAARO Cc1nc(C)c(C[NH2+]Cc2ccc3nc(C)ccc3c2)s1 ZINC000225464368 570393971 /nfs/dbraw/zinc/39/39/71/570393971.db2.gz RCIJCBYEBOOJTR-UHFFFAOYSA-N 1 0 297.427 3.906 50 0 CHAARO c1ccc2oc(C3CC[NH+]([C@@H]4CCSC4)CC3)nc2c1 ZINC000670450781 570400172 /nfs/dbraw/zinc/40/01/72/570400172.db2.gz GMUDPXKOIGYLDD-CYBMUJFWSA-N 1 0 288.416 3.513 50 0 CHAARO CC[C@](C)(NCc1ccsc1)c1nc(C)cs1 ZINC000174499253 570404476 /nfs/dbraw/zinc/40/44/76/570404476.db2.gz YAGHGELKMFRRRX-ZDUSSCGKSA-N 1 0 266.435 3.928 50 0 CHAARO CCN1CCCC[C@H]1C[NH2+]Cc1ccc2cc(O)ccc2c1 ZINC000952963044 615116437 /nfs/dbraw/zinc/11/64/37/615116437.db2.gz FEKDARJRBLGYMF-SFHVURJKSA-N 1 0 298.430 3.509 50 0 CHAARO CC[C@@H](C)Oc1cccc(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000952966716 615464273 /nfs/dbraw/zinc/46/42/73/615464273.db2.gz FRHFXJYVLUTZMU-OAHLLOKOSA-N 1 0 299.414 3.646 50 0 CHAARO CC[C@@H]1C=CC[N@@H+]1Cc1cc2cc(C)ccc2n1C ZINC000952986196 615551163 /nfs/dbraw/zinc/55/11/63/615551163.db2.gz JZAWSERMZZFFIL-OAHLLOKOSA-N 1 0 254.377 3.637 50 0 CHAARO CCc1nc(C)c(C[NH2+]CC2(CC(C)C)CCC2)[nH]1 ZINC000952971664 615736970 /nfs/dbraw/zinc/73/69/70/615736970.db2.gz FROKQLFYNPFVFJ-UHFFFAOYSA-N 1 0 263.429 3.587 50 0 CHAARO CO[C@H](C)c1cccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000245608934 1125584711 /nfs/dbraw/zinc/58/47/11/1125584711.db2.gz UIHKEERKLQQKBS-SZOQZIPDSA-N 1 0 276.424 3.535 50 0 CHAARO Cc1ccsc1C[N@@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055325310 1125659106 /nfs/dbraw/zinc/65/91/06/1125659106.db2.gz HEXMBZRJXBZWSD-AWEZNQCLSA-N 1 0 274.433 3.823 50 0 CHAARO O=C(Cn1ccccc1=[NH+]c1ccccc1)c1ccccc1 ZINC000036625628 1126791387 /nfs/dbraw/zinc/79/13/87/1126791387.db2.gz USBPCJOYKQMNOK-FMQUCBEESA-N 1 0 288.350 3.603 50 0 CHAARO CCn1cncc1C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000417790052 1126994283 /nfs/dbraw/zinc/99/42/83/1126994283.db2.gz HGXDNGCZSCSFCC-KRWDZBQOSA-N 1 0 283.419 3.529 50 0 CHAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000000279335 1128087842 /nfs/dbraw/zinc/08/78/42/1128087842.db2.gz CSEIZIUAIKPHGU-NSHDSACASA-N 1 0 298.224 3.690 50 0 CHAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccccn2)o1 ZINC000022077603 1118210243 /nfs/dbraw/zinc/21/02/43/1118210243.db2.gz GZTZSYHLEABKBN-ZDUSSCGKSA-N 1 0 272.392 3.829 50 0 CHAARO CN1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000002498820 1118574867 /nfs/dbraw/zinc/57/48/67/1118574867.db2.gz HYYKSDDCUIGJTB-HXUWFJFHSA-N 1 0 294.442 3.654 50 0 CHAARO C[C@H](c1ccncc1)[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000190210349 1128803793 /nfs/dbraw/zinc/80/37/93/1128803793.db2.gz VEKRTRWXDMMDKW-OAHLLOKOSA-N 1 0 296.414 3.642 50 0 CHAARO C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@@]1(C)CCCO1 ZINC000252486018 1119530896 /nfs/dbraw/zinc/53/08/96/1119530896.db2.gz HHDHAHFRPZZKNU-RDTXWAMCSA-N 1 0 269.388 3.887 50 0 CHAARO CSCCC[NH2+]Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000011935896 1120402515 /nfs/dbraw/zinc/40/25/15/1120402515.db2.gz INNHBUDKGBIUHL-UHFFFAOYSA-N 1 0 289.448 3.536 50 0 CHAARO CC[C@H]1C[N@H+](Cc2ccccc2)Cc2cc(OC)ccc2O1 ZINC000014963529 1120994107 /nfs/dbraw/zinc/99/41/07/1120994107.db2.gz QYNGAKLFTHDZQR-KRWDZBQOSA-N 1 0 297.398 3.868 50 0 CHAARO CC(C)[C@@H](CO)[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000032534793 1121155478 /nfs/dbraw/zinc/15/54/78/1121155478.db2.gz MNHMDRWOBPCGNS-VQIMIIECSA-N 1 0 297.442 3.814 50 0 CHAARO c1coc(-c2cc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)no2)c1 ZINC000069899147 1121247745 /nfs/dbraw/zinc/24/77/45/1121247745.db2.gz KUXDSAVADDVKDC-OAHLLOKOSA-N 1 0 294.354 3.924 50 0 CHAARO Oc1cccc(C2CC[NH+](CCCc3cccnc3)CC2)c1 ZINC000252482902 1121653355 /nfs/dbraw/zinc/65/33/55/1121653355.db2.gz DPZYUECNHYRTOP-UHFFFAOYSA-N 1 0 296.414 3.599 50 0 CHAARO CCCCn1c[n+](Cc2ccc(F)cc2)c2ccccc21 ZINC000252489110 1121653492 /nfs/dbraw/zinc/65/34/92/1121653492.db2.gz JFPMAJVMWKLFRD-UHFFFAOYSA-N 1 0 283.370 3.916 50 0 CHAARO c1ccc(COc2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000000757506 1123163607 /nfs/dbraw/zinc/16/36/07/1123163607.db2.gz GWTUOJRDMFMHAX-UHFFFAOYSA-N 1 0 299.439 3.814 50 0 CHAARO C1CC1[C@H]1C[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CCO1 ZINC000585117460 1131308848 /nfs/dbraw/zinc/30/88/48/1131308848.db2.gz FAXDRBYMVCHQGI-QZTJIDSGSA-N 1 0 275.436 3.957 50 0 CHAARO Cc1c2cc(F)ccc2[nH]c1CN(C)[C@H](C)c1ccncn1 ZINC000823652580 1129269118 /nfs/dbraw/zinc/26/91/18/1129269118.db2.gz HIGJWXIFARIZHR-GFCCVEGCSA-N 1 0 298.365 3.598 50 0 CHAARO Cc1cc(NC[C@H]2CCCC[N@H+]2C)nc2cc(F)ccc12 ZINC000823777906 1129270971 /nfs/dbraw/zinc/27/09/71/1129270971.db2.gz RTZACZDWGTZYFU-CQSZACIVSA-N 1 0 287.382 3.579 50 0 CHAARO Cc1cnc(C2CC2)n1[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581807083 1129624872 /nfs/dbraw/zinc/62/48/72/1129624872.db2.gz BYSOKPUXDLCSAA-GOSISDBHSA-N 1 0 295.430 3.824 50 0 CHAARO O[C@H](CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000215961037 1130692250 /nfs/dbraw/zinc/69/22/50/1130692250.db2.gz YRKGHRWEQRXNBR-RBUKOAKNSA-N 1 0 281.399 3.600 50 0 CHAARO c1ccc2nc(NCCCC[NH+]3CCCCCC3)cnc2c1 ZINC000952872834 1132015072 /nfs/dbraw/zinc/01/50/72/1132015072.db2.gz DUHOALHVAUUSHD-UHFFFAOYSA-N 1 0 298.434 3.698 50 0 CHAARO CCCCc1ccc(C[N@H+](C)CC(C)(C)CO)s1 ZINC000952873936 1132016833 /nfs/dbraw/zinc/01/68/33/1132016833.db2.gz RPRYSHOAZYKHQG-UHFFFAOYSA-N 1 0 269.454 3.541 50 0 CHAARO Cc1nc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)n(C)c1C ZINC000952988624 1132018897 /nfs/dbraw/zinc/01/88/97/1132018897.db2.gz PIVSGLVJEPITEY-AWEZNQCLSA-N 1 0 299.462 3.883 50 0 CHAARO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1F ZINC000097017098 230386282 /nfs/dbraw/zinc/38/62/82/230386282.db2.gz LKPGHFLGVDDJQP-QWRGUYRKSA-N 1 0 293.411 3.693 50 0 CHAARO Cc1cccc(C[NH2+][C@H]2CC(C)(C)Cc3occc32)n1 ZINC000097016575 230386323 /nfs/dbraw/zinc/38/63/23/230386323.db2.gz YFFFFTVHTZUEJG-HNNXBMFYSA-N 1 0 270.376 3.786 50 0 CHAARO Cc1cnc(CC[NH2+][C@@H](C)CSC(C)(C)C)s1 ZINC000095968535 185047863 /nfs/dbraw/zinc/04/78/63/185047863.db2.gz DUSPYZFAUPMZNQ-JTQLQIEISA-N 1 0 272.483 3.504 50 0 CHAARO CCc1ccc([C@H](C)[NH2+]CCCc2c(C)noc2C)o1 ZINC000095969136 185048158 /nfs/dbraw/zinc/04/81/58/185048158.db2.gz WMKHJBYJDBIMNO-LBPRGKRZSA-N 1 0 276.380 3.730 50 0 CHAARO c1cn(CCC[NH+]2CCC(CCc3ccccc3)CC2)cn1 ZINC000095986314 185056189 /nfs/dbraw/zinc/05/61/89/185056189.db2.gz PAOWDRUEPAEONY-UHFFFAOYSA-N 1 0 297.446 3.618 50 0 CHAARO C[C@H](c1cccc(-c2n[nH]c(C3CCC3)n2)c1)[NH+]1CCCC1 ZINC000096133022 185105011 /nfs/dbraw/zinc/10/50/11/185105011.db2.gz JCKVSORLDKAFMO-CYBMUJFWSA-N 1 0 296.418 3.896 50 0 CHAARO CC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccncc1 ZINC000096478350 529660991 /nfs/dbraw/zinc/66/09/91/529660991.db2.gz SUYUUTMRVMSOHG-DLBZAZTESA-N 1 0 270.351 3.949 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)o1 ZINC000090542106 180001036 /nfs/dbraw/zinc/00/10/36/180001036.db2.gz ZZDNZXRLQJBYGM-WOSRLPQWSA-N 1 0 295.448 3.547 50 0 CHAARO C[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000091948683 180291701 /nfs/dbraw/zinc/29/17/01/180291701.db2.gz ZZMCLATYQHHCON-SNVBAGLBSA-N 1 0 254.171 3.606 50 0 CHAARO c1ccc(CCCN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000214668 169577464 /nfs/dbraw/zinc/57/74/64/169577464.db2.gz XEIHVHVXQHYLBM-UHFFFAOYSA-N 1 0 286.463 3.570 50 0 CHAARO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000096478581 532966847 /nfs/dbraw/zinc/96/68/47/532966847.db2.gz DOJVUYFSPSVFFG-STQMWFEESA-N 1 0 295.471 3.801 50 0 CHAARO C[C@@H](Cc1ccc2ccccc2c1)[NH2+]C1CCOCC1 ZINC000095421507 184976833 /nfs/dbraw/zinc/97/68/33/184976833.db2.gz RCNIHJSYRHPYNC-AWEZNQCLSA-N 1 0 269.388 3.539 50 0 CHAARO Cc1cc([C@@H]([NH2+]C2CCOCC2)C(C)C)c(C)s1 ZINC000095422324 184976946 /nfs/dbraw/zinc/97/69/46/184976946.db2.gz HAKQZINWJOSCRU-HNNXBMFYSA-N 1 0 267.438 3.831 50 0 CHAARO Cc1cc(C)c(C[NH2+]CC(C)(C)CCCO)cc1C ZINC000095459067 184992272 /nfs/dbraw/zinc/99/22/72/184992272.db2.gz ZMQBCXBQBZHDNG-UHFFFAOYSA-N 1 0 263.425 3.500 50 0 CHAARO C[C@@H]([NH2+]C1CCSCC1)c1cccc(N2CCCC2)c1 ZINC000096479263 533342429 /nfs/dbraw/zinc/34/24/29/533342429.db2.gz XEXCYCCZASUCCH-CQSZACIVSA-N 1 0 290.476 3.833 50 0 CHAARO C(=C/c1ccccc1)\C[NH+]1CCN(c2ccccc2)CC1 ZINC000000183277 533351245 /nfs/dbraw/zinc/35/12/45/533351245.db2.gz CWRHKUXOSFZMTH-JXMROGBWSA-N 1 0 278.399 3.522 50 0 CHAARO CCC1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000000214256 134522720 /nfs/dbraw/zinc/52/27/20/134522720.db2.gz JBVPUFQXURRXSK-UHFFFAOYSA-N 1 0 290.426 3.917 50 0 CHAARO CCCCCO[P@@](C)(=O)OCC[NH+]1CCCCC1 ZINC000001835665 169758928 /nfs/dbraw/zinc/75/89/28/169758928.db2.gz KGXFZCNERWTLMK-GOSISDBHSA-N 1 0 277.345 3.519 50 0 CHAARO Cc1cc(Cl)ccc1OCCC[NH2+]C(C)(C)C ZINC000002932732 169844796 /nfs/dbraw/zinc/84/47/96/169844796.db2.gz SOQMTBGUNRBVOQ-UHFFFAOYSA-N 1 0 255.789 3.805 50 0 CHAARO CC(C)(C)[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000002930907 169844836 /nfs/dbraw/zinc/84/48/36/169844836.db2.gz WGPGRZWKVHPOOS-UHFFFAOYSA-N 1 0 262.180 3.760 50 0 CHAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004871449 170034973 /nfs/dbraw/zinc/03/49/73/170034973.db2.gz GCGMLBYPUYKAJU-KBPBESRZSA-N 1 0 298.430 3.945 50 0 CHAARO CC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942969 170043772 /nfs/dbraw/zinc/04/37/72/170043772.db2.gz BWONXQSHDZNSMM-UHFFFAOYSA-N 1 0 253.704 3.849 50 0 CHAARO Cc1ccc(C)c(OCC[NH+]2CCCCCC2)c1C ZINC000004978639 170047993 /nfs/dbraw/zinc/04/79/93/170047993.db2.gz BFVVGNJQUOVBAE-UHFFFAOYSA-N 1 0 261.409 3.867 50 0 CHAARO C[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000004989424 170050198 /nfs/dbraw/zinc/05/01/98/170050198.db2.gz DDTFZLQLMMIXHG-LPHOPBHVSA-N 1 0 286.463 3.819 50 0 CHAARO CCOc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000005059116 170062158 /nfs/dbraw/zinc/06/21/58/170062158.db2.gz UCKQIRABDTYHQF-UHFFFAOYSA-N 1 0 294.398 3.899 50 0 CHAARO CC1CC[NH+](CCC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000005485618 170104015 /nfs/dbraw/zinc/10/40/15/170104015.db2.gz HYFZSAWLUUPJQB-UHFFFAOYSA-N 1 0 296.414 3.900 50 0 CHAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccc(C)cc12 ZINC000005561845 170113900 /nfs/dbraw/zinc/11/39/00/170113900.db2.gz CZZCNCFZJXNAEH-CQSZACIVSA-N 1 0 284.403 3.924 50 0 CHAARO C[C@@H](NC(CC(F)(F)F)=[NH+]c1cccnc1)C(C)(C)C ZINC000005570362 170115079 /nfs/dbraw/zinc/11/50/79/170115079.db2.gz ZAKRVLZORBUQLP-BKLZJWBFSA-N 1 0 287.329 3.921 50 0 CHAARO c1ccc(COc2ccc(C[NH2+]C[C@@H]3CCCO3)cc2)cc1 ZINC000005999257 170166748 /nfs/dbraw/zinc/16/67/48/170166748.db2.gz IDLYQRWYDXBNSN-IBGZPJMESA-N 1 0 297.398 3.534 50 0 CHAARO COc1ccc(CC[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000006558914 170213423 /nfs/dbraw/zinc/21/34/23/170213423.db2.gz NFKCMKGPQFAQSP-OAHLLOKOSA-N 1 0 269.388 3.631 50 0 CHAARO Fc1ccccc1COc1cccc(C[NH2+]C2CC2)c1 ZINC000006703371 170230300 /nfs/dbraw/zinc/23/03/00/170230300.db2.gz LDIBONMJJKSJQS-UHFFFAOYSA-N 1 0 271.335 3.657 50 0 CHAARO c1csc(COc2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000007524040 170288976 /nfs/dbraw/zinc/28/89/76/170288976.db2.gz QKXZVMKHXOSLPL-UHFFFAOYSA-N 1 0 259.374 3.579 50 0 CHAARO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000008324727 170331436 /nfs/dbraw/zinc/33/14/36/170331436.db2.gz SIHDTZGLXNRBNZ-CQSZACIVSA-N 1 0 285.387 3.945 50 0 CHAARO CC[C@H](CCNCc1ccc(C)o1)[NH2+]Cc1ccc(C)o1 ZINC000008481608 170337419 /nfs/dbraw/zinc/33/74/19/170337419.db2.gz DLQMXCFABCMHSV-OAHLLOKOSA-N 1 0 290.407 3.538 50 0 CHAARO COc1ccc(C[NH2+][C@@H](C)c2ccccc2)c(OC)c1 ZINC000008534266 170339245 /nfs/dbraw/zinc/33/92/45/170339245.db2.gz WULSDLZNYCLHHC-ZDUSSCGKSA-N 1 0 271.360 3.555 50 0 CHAARO CC(C)(C)c1ccc(-c2cc(C3CC[NH2+]CC3)[nH]n2)cc1 ZINC000008557535 170340097 /nfs/dbraw/zinc/34/00/97/170340097.db2.gz WNEDVXWAGFHGLS-UHFFFAOYSA-N 1 0 283.419 3.841 50 0 CHAARO CC[NH+](CC)CCCNc1cc(-c2ccccc2)nc(C)n1 ZINC000008614181 170343018 /nfs/dbraw/zinc/34/30/18/170343018.db2.gz NLWFSDDCYHFGAS-UHFFFAOYSA-N 1 0 298.434 3.596 50 0 CHAARO Cc1ccc(C)c2c(=O)c(C[NH+]3CCCCC3)c(C)[nH]c12 ZINC000008717476 170349373 /nfs/dbraw/zinc/34/93/73/170349373.db2.gz SCQHOIWXLYEMOP-UHFFFAOYSA-N 1 0 284.403 3.852 50 0 CHAARO c1ccc(COc2ccc([C@H]3[NH2+]CCS3)cc2)cc1 ZINC000008730102 170350808 /nfs/dbraw/zinc/35/08/08/170350808.db2.gz FYAJTHNVORAUAP-INIZCTEOSA-N 1 0 271.385 3.601 50 0 CHAARO CCOc1ccc(C[NH2+]C2CCCC2)cc1Cl ZINC000010474053 170407884 /nfs/dbraw/zinc/40/78/84/170407884.db2.gz DJNCDAIPZKXRON-UHFFFAOYSA-N 1 0 253.773 3.771 50 0 CHAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH3+] ZINC000012658405 170503402 /nfs/dbraw/zinc/50/34/02/170503402.db2.gz WDTAJXMIXADUTH-CUZKMJQKSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO CC(C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000020305319 171142026 /nfs/dbraw/zinc/14/20/26/171142026.db2.gz UCQUNOICIBLDPY-SNVBAGLBSA-N 1 0 256.187 3.583 50 0 CHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)[NH2+]CC2 ZINC000020506945 171228811 /nfs/dbraw/zinc/22/88/11/171228811.db2.gz DRUZNOUZPRHPOS-IBGZPJMESA-N 1 0 297.398 3.719 50 0 CHAARO C[NH+]1CCC(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000022009172 171348892 /nfs/dbraw/zinc/34/88/92/171348892.db2.gz OWTKCABHRSIAJY-UHFFFAOYSA-N 1 0 293.208 3.740 50 0 CHAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000022078191 171352558 /nfs/dbraw/zinc/35/25/58/171352558.db2.gz NDOZPBNTVAXUDP-ABAIWWIYSA-N 1 0 299.245 3.662 50 0 CHAARO C[C@@H](Cc1ccco1)[NH2+]Cc1cc2ccccc2o1 ZINC000035254709 172083948 /nfs/dbraw/zinc/08/39/48/172083948.db2.gz VFWJSVVAJLCPIL-LBPRGKRZSA-N 1 0 255.317 3.747 50 0 CHAARO Cc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)s1 ZINC000035287270 172104878 /nfs/dbraw/zinc/10/48/78/172104878.db2.gz NIQJDZWKEYKMAG-UHFFFAOYSA-N 1 0 285.416 3.655 50 0 CHAARO C[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(Br)c1 ZINC000035733358 172384683 /nfs/dbraw/zinc/38/46/83/172384683.db2.gz TZTXPIVIGYUQSH-UWVGGRQHSA-N 1 0 268.198 3.898 50 0 CHAARO [NH3+][C@@H](CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000037658132 173606154 /nfs/dbraw/zinc/60/61/54/173606154.db2.gz HYDLQNLHUATIDN-HNNXBMFYSA-N 1 0 261.752 3.809 50 0 CHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1F ZINC000040086932 174188292 /nfs/dbraw/zinc/18/82/92/174188292.db2.gz QKJPHKPKAOEOJZ-UHFFFAOYSA-N 1 0 298.361 3.674 50 0 CHAARO Clc1ccc(Cl)c(OCCC2CC[NH2+]CC2)c1 ZINC000042772340 174871556 /nfs/dbraw/zinc/87/15/56/174871556.db2.gz ZADPPNSOPOGSOA-UHFFFAOYSA-N 1 0 274.191 3.762 50 0 CHAARO Clc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000042772694 174872198 /nfs/dbraw/zinc/87/21/98/174872198.db2.gz ROFIFPSVRWLKHU-SNVBAGLBSA-N 1 0 274.191 3.762 50 0 CHAARO [NH3+]C[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000042900074 174905051 /nfs/dbraw/zinc/90/50/51/174905051.db2.gz JYVIHYIVTJTHJZ-AWEZNQCLSA-N 1 0 281.277 3.784 50 0 CHAARO CC[NH2+][C@@H](C)CCCCOc1cccc2c1OC(C)(C)C2 ZINC000045615070 175381933 /nfs/dbraw/zinc/38/19/33/175381933.db2.gz NAVIFKDSHOZYDV-AWEZNQCLSA-N 1 0 291.435 3.947 50 0 CHAARO CCC[C@H](C)[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000045943824 175387301 /nfs/dbraw/zinc/38/73/01/175387301.db2.gz CISKPQLGZJTXSS-LBPRGKRZSA-N 1 0 293.436 3.851 50 0 CHAARO CCOc1ccc(-c2ccc3c(CC[NH3+])c[nH]c3c2)cc1 ZINC000071631135 176236609 /nfs/dbraw/zinc/23/66/09/176236609.db2.gz YVSPQLLCJMDPEO-UHFFFAOYSA-N 1 0 280.371 3.735 50 0 CHAARO CC(C)(C)c1nccn1CC1CC[NH+](C2CCCC2)CC1 ZINC000071639309 176238641 /nfs/dbraw/zinc/23/86/41/176238641.db2.gz XMVVEUNAPPPVTN-UHFFFAOYSA-N 1 0 289.467 3.835 50 0 CHAARO CC[C@@H]1CN(Cc2ccc(Cl)cc2F)CC[N@@H+]1C(C)C ZINC000072130667 176321393 /nfs/dbraw/zinc/32/13/93/176321393.db2.gz ZOEKNZBEPVHGCM-OAHLLOKOSA-N 1 0 298.833 3.784 50 0 CHAARO CCc1nccc(C[N@H+](C)[C@@H]2CCCc3ccccc32)n1 ZINC000072166961 176331520 /nfs/dbraw/zinc/33/15/20/176331520.db2.gz GUGWNLSYXWTLBX-QGZVFWFLSA-N 1 0 281.403 3.548 50 0 CHAARO O=C(CCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000072411277 176398594 /nfs/dbraw/zinc/39/85/94/176398594.db2.gz DTGDSCGZFTURSC-KRWDZBQOSA-N 1 0 297.398 3.694 50 0 CHAARO Cc1nc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)oc1C ZINC000076812084 177105031 /nfs/dbraw/zinc/10/50/31/177105031.db2.gz MOXMIWMXQQWZPD-NHYWBVRUSA-N 1 0 288.366 3.809 50 0 CHAARO CCCC[NH+]1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000055280822 260219882 /nfs/dbraw/zinc/21/98/82/260219882.db2.gz MNMIURNMJAOGBE-UHFFFAOYSA-N 1 0 290.455 3.763 50 0 CHAARO c1cc(C2CC[NH+](Cc3ccccn3)CC2)cs1 ZINC000186946226 262117667 /nfs/dbraw/zinc/11/76/67/262117667.db2.gz XTUFRFWRAXBMLB-UHFFFAOYSA-N 1 0 258.390 3.523 50 0 CHAARO CCSC[C@@H](C)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000534641474 328336377 /nfs/dbraw/zinc/33/63/77/328336377.db2.gz CKYIXSVKVQOQRE-LLVKDONJSA-N 1 0 294.395 3.712 50 0 CHAARO Cc1cc(-c2csc(C3CC[NH2+]CC3)n2)ccc1F ZINC000011632087 326830736 /nfs/dbraw/zinc/83/07/36/326830736.db2.gz SIJICJQADSPPFZ-UHFFFAOYSA-N 1 0 276.380 3.725 50 0 CHAARO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000019871875 326857547 /nfs/dbraw/zinc/85/75/47/326857547.db2.gz IIIZQVIHVSROJK-BLLLJJGKSA-N 1 0 275.779 3.552 50 0 CHAARO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)C(C)(C)c1ccccc1 ZINC000375268325 329002542 /nfs/dbraw/zinc/00/25/42/329002542.db2.gz MVWCAOWBYVGKNQ-OAHLLOKOSA-N 1 0 297.446 3.675 50 0 CHAARO CCC[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000185451817 333140968 /nfs/dbraw/zinc/14/09/68/333140968.db2.gz WRETUORKRRCNOY-GOSISDBHSA-N 1 0 296.414 3.690 50 0 CHAARO CC(C)Oc1ccc(C(=O)CC[NH+]2CCCCC2)cc1 ZINC000004257985 528136702 /nfs/dbraw/zinc/13/67/02/528136702.db2.gz ZHTPWMDZZZQREU-UHFFFAOYSA-N 1 0 275.392 3.533 50 0 CHAARO CCC(=O)c1ccccc1OCCCC[NH2+]C1CCCC1 ZINC000002845345 528481529 /nfs/dbraw/zinc/48/15/29/528481529.db2.gz JYUAAUPLLDQCCW-UHFFFAOYSA-N 1 0 289.419 3.971 50 0 CHAARO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000107543121 570294111 /nfs/dbraw/zinc/29/41/11/570294111.db2.gz YAIAQZZXRXUJQH-WQVCFCJDSA-N 1 0 280.843 3.673 50 0 CHAARO CC(C)(C)n1c[n+](-c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000012551145 566849241 /nfs/dbraw/zinc/84/92/41/566849241.db2.gz FDXYCBRSGJFNCY-UHFFFAOYSA-N 1 0 296.369 3.721 50 0 CHAARO c1[nH]nc([C@H]2CCC[NH2+]C2)c1-c1cccc2ccccc21 ZINC000299796574 566854226 /nfs/dbraw/zinc/85/42/26/566854226.db2.gz OWIALWCOJRAGCJ-AWEZNQCLSA-N 1 0 277.371 3.697 50 0 CHAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[NH3+] ZINC000004027444 566855336 /nfs/dbraw/zinc/85/53/36/566855336.db2.gz WDTAJXMIXADUTH-MQJSTHQHSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC000019871879 566891010 /nfs/dbraw/zinc/89/10/10/566891010.db2.gz IIIZQVIHVSROJK-LRDDRELGSA-N 1 0 275.779 3.552 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](C)CCCO)o1 ZINC000088762894 566934788 /nfs/dbraw/zinc/93/47/88/566934788.db2.gz NELXIZGKGOGABA-LBPRGKRZSA-N 1 0 291.366 3.645 50 0 CHAARO CCOC(=O)[C@@H]1CCC[C@H](C[N@H+]([C@H](C)C(C)C)C2CC2)C1 ZINC000225386444 566951381 /nfs/dbraw/zinc/95/13/81/566951381.db2.gz BERZTNXWTQQVHJ-OWCLPIDISA-N 1 0 295.467 3.865 50 0 CHAARO Clc1cnccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000075675331 566974228 /nfs/dbraw/zinc/97/42/28/566974228.db2.gz FIHGQVFGNCFHEP-CQSZACIVSA-N 1 0 272.779 3.725 50 0 CHAARO CCC[C@H](O)C[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000036100393 566994434 /nfs/dbraw/zinc/99/44/34/566994434.db2.gz KHYNVCFEVQCVFM-KRWDZBQOSA-N 1 0 263.425 3.614 50 0 CHAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036096751 566994529 /nfs/dbraw/zinc/99/45/29/566994529.db2.gz FOANEFQEGDTICJ-FQEVSTJZSA-N 1 0 297.442 3.748 50 0 CHAARO Clc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000065577724 567009689 /nfs/dbraw/zinc/00/96/89/567009689.db2.gz QMMKWROYXVSAMW-CQSZACIVSA-N 1 0 299.245 3.664 50 0 CHAARO CCn1c2ccccc2nc1SCCC[NH+]1CCCC1 ZINC000170605476 567013540 /nfs/dbraw/zinc/01/35/40/567013540.db2.gz PTVBRYAODREWIZ-UHFFFAOYSA-N 1 0 289.448 3.634 50 0 CHAARO COc1ccc(OCCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000002823817 567037043 /nfs/dbraw/zinc/03/70/43/567037043.db2.gz NKTXGFKBAKGWTK-UHFFFAOYSA-N 1 0 299.414 3.986 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000002213938 567067578 /nfs/dbraw/zinc/06/75/78/567067578.db2.gz GRWSKCGTQJOOEF-CYBMUJFWSA-N 1 0 297.398 3.656 50 0 biogenic CHAARO C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000002213936 567068377 /nfs/dbraw/zinc/06/83/77/567068377.db2.gz GRWSKCGTQJOOEF-ZDUSSCGKSA-N 1 0 297.398 3.656 50 0 biogenic CHAARO CSc1ccc(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)cc1 ZINC000253422974 567098254 /nfs/dbraw/zinc/09/82/54/567098254.db2.gz ODKUFFQXYZSGOI-NSHDSACASA-N 1 0 289.448 3.610 50 0 CHAARO Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000095458014 567133677 /nfs/dbraw/zinc/13/36/77/567133677.db2.gz ZFRBPGDWGDAJRV-UONOGXRCSA-N 1 0 270.376 3.770 50 0 CHAARO Cc1ocnc1C[N@H+](C)CCc1cccc2ccccc21 ZINC000095442964 567134714 /nfs/dbraw/zinc/13/47/14/567134714.db2.gz JYKNZPAOOGSMMG-UHFFFAOYSA-N 1 0 280.371 3.811 50 0 CHAARO CCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000095483070 567136785 /nfs/dbraw/zinc/13/67/85/567136785.db2.gz QFLGGFHQRAPBEC-QZTJIDSGSA-N 1 0 298.430 3.568 50 0 CHAARO CC[NH+](CC)[C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000096026535 567138240 /nfs/dbraw/zinc/13/82/40/567138240.db2.gz GHIBIFOXSMSIMJ-MRXNPFEDSA-N 1 0 283.415 3.653 50 0 CHAARO Cc1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1Cl ZINC000225522390 567143696 /nfs/dbraw/zinc/14/36/96/567143696.db2.gz DEHZARYGANUBHL-CQSZACIVSA-N 1 0 281.808 3.533 50 0 CHAARO CC[NH+](CC)[C@H](C)C(=O)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000027988323 567146825 /nfs/dbraw/zinc/14/68/25/567146825.db2.gz RWYVMAIKRGMMHS-HCBPCCMXSA-N 1 0 277.452 3.892 50 0 CHAARO CCCOc1ccc(C(=O)CC[NH+]2CCCCCC2)cc1 ZINC000003068309 567160371 /nfs/dbraw/zinc/16/03/71/567160371.db2.gz XJLSIHLNCRSPKR-UHFFFAOYSA-N 1 0 289.419 3.924 50 0 CHAARO c1ccc(C[C@@H]2CCCC[N@@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000069528536 567202083 /nfs/dbraw/zinc/20/20/83/567202083.db2.gz NOGRBKPHZLJTAB-INIZCTEOSA-N 1 0 297.402 3.544 50 0 CHAARO C[NH+](C)CC/C=C1\c2ccccc2COc2ccccc21 ZINC000000001331 567816529 /nfs/dbraw/zinc/81/65/29/567816529.db2.gz ODQWQRRAPPTVAG-GZTJUZNOSA-N 1 0 279.383 3.962 50 0 fda CHAARO C[NH+](C)CCNc1cc(-c2cccs2)nc2ccccc21 ZINC000000088020 567817851 /nfs/dbraw/zinc/81/78/51/567817851.db2.gz SHDLOADGXCJRFC-UHFFFAOYSA-N 1 0 297.427 3.937 50 0 CHAARO CCC1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000182558 567821844 /nfs/dbraw/zinc/82/18/44/567821844.db2.gz LMKHMHFWSATOFO-UHFFFAOYSA-N 1 0 290.426 3.917 50 0 CHAARO COc1cccc(Sc2ccc(C[NH+](C)C)cc2)c1 ZINC000000346791 567825938 /nfs/dbraw/zinc/82/59/38/567825938.db2.gz ZQBXXCZHLWQSDA-UHFFFAOYSA-N 1 0 273.401 3.908 50 0 CHAARO Clc1ccc(-[n+]2nc(-c3ccccc3)cs2)cc1 ZINC000000383881 567828202 /nfs/dbraw/zinc/82/82/02/567828202.db2.gz BYJHURLBKYXLIO-UHFFFAOYSA-N 1 0 273.768 3.740 50 0 CHAARO C[NH+](C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000000394399 567828706 /nfs/dbraw/zinc/82/87/06/567828706.db2.gz IDIJUWFVRXORPJ-UHFFFAOYSA-N 1 0 294.398 3.851 50 0 CHAARO O=C1CCCC[C@]1([NH2+]CC1CC1)c1ccccc1Cl ZINC000096027870 567836993 /nfs/dbraw/zinc/83/69/93/567836993.db2.gz YFQQMKUESHERIX-INIZCTEOSA-N 1 0 277.795 3.678 50 0 CHAARO OC(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001482149 567837786 /nfs/dbraw/zinc/83/77/86/567837786.db2.gz RQXCLMGKHJWMOA-UHFFFAOYSA-N 1 0 295.426 3.799 50 0 world CHAARO Cc1ccc([C@@](O)(CC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000002171719 567845059 /nfs/dbraw/zinc/84/50/59/567845059.db2.gz DOSVXKGIEYUDKJ-HXUWFJFHSA-N 1 0 295.426 3.717 50 0 CHAARO O=C(c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514544 567846287 /nfs/dbraw/zinc/84/62/87/567846287.db2.gz ATSFRKNYZQYHSN-UHFFFAOYSA-N 1 0 265.356 3.513 50 0 CHAARO Cc1ccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000002515048 567846351 /nfs/dbraw/zinc/84/63/51/567846351.db2.gz JXJITBYEPBSPES-UHFFFAOYSA-N 1 0 279.383 3.822 50 0 CHAARO Cc1cccc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)c1 ZINC000002514880 567846355 /nfs/dbraw/zinc/84/63/55/567846355.db2.gz GKDSDJWVKDURHR-UHFFFAOYSA-N 1 0 277.367 3.598 50 0 CHAARO CC[C@H](C)[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000002823891 567849615 /nfs/dbraw/zinc/84/96/15/567849615.db2.gz YYLQGFRYJDWUEZ-VIFPVBQESA-N 1 0 262.180 3.760 50 0 CHAARO Cc1ccc(C)c(OCCCC[NH+]2CCCCC2)c1 ZINC000002896511 567850207 /nfs/dbraw/zinc/85/02/07/567850207.db2.gz HTEOMBFNAVXZJZ-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO CC[NH+](CC)CCOCCOc1cc(C)c(Cl)c(C)c1 ZINC000002896122 567850259 /nfs/dbraw/zinc/85/02/59/567850259.db2.gz MDNVEDZFPGSWSN-UHFFFAOYSA-N 1 0 299.842 3.694 50 0 CHAARO Cc1ccc(OCCCC[NH+]2CCC(C)CC2)cc1 ZINC000002957377 567850481 /nfs/dbraw/zinc/85/04/81/567850481.db2.gz VPRXIONYWNSYLU-UHFFFAOYSA-N 1 0 261.409 3.886 50 0 CHAARO CC(C)c1cccc(OCCOCC[NH2+]C(C)(C)C)c1 ZINC000002981127 567850895 /nfs/dbraw/zinc/85/08/95/567850895.db2.gz JCARUSHVTGRWKN-UHFFFAOYSA-N 1 0 279.424 3.594 50 0 CHAARO Cc1ccc(C(C)C)cc1OCCOCC[NH+]1CCCC1 ZINC000003003761 567851411 /nfs/dbraw/zinc/85/14/11/567851411.db2.gz PIUWHSYGOKWZOL-UHFFFAOYSA-N 1 0 291.435 3.610 50 0 CHAARO [NH3+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000003886700 567854210 /nfs/dbraw/zinc/85/42/10/567854210.db2.gz DWOFRWCQQMUIRA-ZDUSSCGKSA-N 1 0 270.763 3.912 50 0 CHAARO CC(C)(C[NH3+])SCc1cccc(C(F)(F)F)c1 ZINC000004418489 567857429 /nfs/dbraw/zinc/85/74/29/567857429.db2.gz LAVIAUFTHQFQQF-UHFFFAOYSA-N 1 0 263.328 3.676 50 0 CHAARO C[NH2+]C[C@@H]1c2ccccc2CSc2ccccc21 ZINC000005525970 567859593 /nfs/dbraw/zinc/85/95/93/567859593.db2.gz PWVVWWGUYVRUCH-OAHLLOKOSA-N 1 0 255.386 3.644 50 0 CHAARO Cc1cc(C)c(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000007811706 567860663 /nfs/dbraw/zinc/86/06/63/567860663.db2.gz QJJDAZBOTWSGLG-ZIAGYGMSSA-N 1 0 288.435 3.528 50 0 CHAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C(C)C ZINC000010436185 567861520 /nfs/dbraw/zinc/86/15/20/567861520.db2.gz PUOGUYVXXZKTFV-UHFFFAOYSA-N 1 0 262.180 3.890 50 0 CHAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)CCCC(C)(C)O ZINC000032576385 567862114 /nfs/dbraw/zinc/86/21/14/567862114.db2.gz UPCQDGVAQASFSA-LSDHHAIUSA-N 1 0 293.451 3.633 50 0 CHAARO Cc1c([C@@H](C)[NH2+]CC(C)(C)C)cnn1-c1ccccc1 ZINC000012430996 567863325 /nfs/dbraw/zinc/86/33/25/567863325.db2.gz GMFRTEGRTFLEDE-CYBMUJFWSA-N 1 0 271.408 3.877 50 0 CHAARO Cc1cc(C)c2oc(=O)cc(C[N@H+]3CCCC[C@@H]3C)c2c1 ZINC000004340538 567863333 /nfs/dbraw/zinc/86/33/33/567863333.db2.gz VWTDWWJXPHNTEY-AWEZNQCLSA-N 1 0 285.387 3.784 50 0 CHAARO COc1ccc(Br)cc1C[NH2+]C1CCCCC1 ZINC000013370352 567866038 /nfs/dbraw/zinc/86/60/38/567866038.db2.gz FPWDMHRKKZPDFZ-UHFFFAOYSA-N 1 0 298.224 3.880 50 0 CHAARO Fc1ccccc1-c1cc([C@@H]2CCCCC[NH2+]2)on1 ZINC000013566800 567866587 /nfs/dbraw/zinc/86/65/87/567866587.db2.gz KBRWJJFDVOZCAC-ZDUSSCGKSA-N 1 0 260.312 3.685 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1F ZINC000032735874 567867863 /nfs/dbraw/zinc/86/78/63/567867863.db2.gz ULOPAHKPKNSJLU-CQSZACIVSA-N 1 0 295.361 3.862 50 0 CHAARO Fc1cc2cccnc2c(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000032825144 567868771 /nfs/dbraw/zinc/86/87/71/567868771.db2.gz NVXBVHXSLFHTMZ-UHFFFAOYSA-N 1 0 292.357 3.932 50 0 CHAARO Cc1cc(C[N@@H+]2CCc3sccc3C2)cc(C)c1O ZINC000014309323 567869026 /nfs/dbraw/zinc/86/90/26/567869026.db2.gz LTNBWFNJYMQXGS-UHFFFAOYSA-N 1 0 273.401 3.629 50 0 CHAARO Fc1ccc(CC[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC000014988063 567869866 /nfs/dbraw/zinc/86/98/66/567869866.db2.gz VXRYXASLNWTWAW-UHFFFAOYSA-N 1 0 268.335 3.639 50 0 CHAARO c1ccc(CN2CC[NH+](C3CCCCCCC3)CC2)cc1 ZINC000019635952 567877948 /nfs/dbraw/zinc/87/79/48/567877948.db2.gz HHMXVRDILPTTKR-UHFFFAOYSA-N 1 0 286.463 3.917 50 0 CHAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(Cl)cc1Cl ZINC000019771275 567879077 /nfs/dbraw/zinc/87/90/77/567879077.db2.gz GMBQVXMEPMJXFC-ABAIWWIYSA-N 1 0 299.245 3.662 50 0 CHAARO Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019831608 567879158 /nfs/dbraw/zinc/87/91/58/567879158.db2.gz KUMNLLUQVVTQEH-IEBWSBKVSA-N 1 0 286.463 3.691 50 0 CHAARO Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019831613 567879390 /nfs/dbraw/zinc/87/93/90/567879390.db2.gz KUMNLLUQVVTQEH-MJGOQNOKSA-N 1 0 286.463 3.691 50 0 CHAARO CCN(CC)CC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000019790623 567879403 /nfs/dbraw/zinc/87/94/03/567879403.db2.gz ATSUAZDYAGLGCM-SFHVURJKSA-N 1 0 299.462 3.785 50 0 CHAARO CCOc1cccc(C[NH2+]CCc2ccc(F)cc2)c1 ZINC000019871745 567879736 /nfs/dbraw/zinc/87/97/36/567879736.db2.gz ZHJKOUNVFBFPBC-UHFFFAOYSA-N 1 0 273.351 3.557 50 0 CHAARO CC(C)CC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019912132 567879808 /nfs/dbraw/zinc/87/98/08/567879808.db2.gz MWRLKAIOWMUSTM-UHFFFAOYSA-N 1 0 274.177 3.724 50 0 CHAARO Cc1ccc(SCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000019989077 567880386 /nfs/dbraw/zinc/88/03/86/567880386.db2.gz IZURCORKMWHCCJ-HUUCEWRRSA-N 1 0 279.449 3.586 50 0 CHAARO CCOc1ccc([C@H]([NH3+])c2ccccc2Cl)cc1 ZINC000019967411 567880402 /nfs/dbraw/zinc/88/04/02/567880402.db2.gz KSGHJSOUOLCSCO-HNNXBMFYSA-N 1 0 261.752 3.787 50 0 CHAARO CSc1[nH]c2ccccc2c1C[NH+]1CCCCC1 ZINC000020031808 567880448 /nfs/dbraw/zinc/88/04/48/567880448.db2.gz RLUSXHNRANXXDK-UHFFFAOYSA-N 1 0 260.406 3.876 50 0 CHAARO [NH3+][C@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000019970950 567880453 /nfs/dbraw/zinc/88/04/53/567880453.db2.gz QDAAUAUXWSKBJM-OAHLLOKOSA-N 1 0 294.181 3.976 50 0 CHAARO Brc1ccc(SC[C@@H]2CCCC[NH2+]2)cc1 ZINC000026291409 567882960 /nfs/dbraw/zinc/88/29/60/567882960.db2.gz BHNBREVDQYPEDB-NSHDSACASA-N 1 0 286.238 3.683 50 0 CHAARO C[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000026908488 567883229 /nfs/dbraw/zinc/88/32/29/567883229.db2.gz XVNKBBUKWDENTD-XHDPSFHLSA-N 1 0 291.391 3.540 50 0 CHAARO c1ccc(CCN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000221620 567887395 /nfs/dbraw/zinc/88/73/95/567887395.db2.gz TYGPUOZUOJCDKB-UHFFFAOYSA-N 1 0 286.463 3.570 50 0 CHAARO Cc1ccc(Cc2cnc(C[NH+]3CCCCC3)c(O)c2)cc1 ZINC000000321197 567887580 /nfs/dbraw/zinc/88/75/80/567887580.db2.gz NVHMLKDFDKFDBY-UHFFFAOYSA-N 1 0 296.414 3.672 50 0 CHAARO Fc1cccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019300568 567887786 /nfs/dbraw/zinc/88/77/86/567887786.db2.gz XRGMJPZNCWYTRL-MRXNPFEDSA-N 1 0 266.319 3.542 50 0 biogenic CHAARO Cc1ccc(Cl)c(OCCCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000006478576 567888306 /nfs/dbraw/zinc/88/83/06/567888306.db2.gz KJQVVJHBTKKLJS-AWEZNQCLSA-N 1 0 297.826 3.576 50 0 CHAARO [NH3+][C@@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000036379703 567889415 /nfs/dbraw/zinc/88/94/15/567889415.db2.gz RFWDQVNFSXQMMI-QMMMGPOBSA-N 1 0 258.070 3.946 50 0 CHAARO CC(C)c1[nH]c([C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000036874177 567889734 /nfs/dbraw/zinc/88/97/34/567889734.db2.gz HFUUCKOKFOFBNR-CYBMUJFWSA-N 1 0 255.365 3.625 50 0 CHAARO Clc1ccc(OCC[C@H]2CCCC[NH2+]2)c2ncccc12 ZINC000042771414 567891533 /nfs/dbraw/zinc/89/15/33/567891533.db2.gz GKFCJSJJAXXTAS-GFCCVEGCSA-N 1 0 290.794 3.799 50 0 CHAARO Clc1cc(Cl)c(OC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000042772332 567891667 /nfs/dbraw/zinc/89/16/67/567891667.db2.gz YKMNRGDEMOIOLL-SSDOTTSWSA-N 1 0 280.582 3.635 50 0 CHAARO CC(C)c1cc(Cl)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042775170 567892007 /nfs/dbraw/zinc/89/20/07/567892007.db2.gz XWDRXRLDRNCMNO-LBPRGKRZSA-N 1 0 253.773 3.594 50 0 CHAARO Cc1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cn1 ZINC000096403756 567896970 /nfs/dbraw/zinc/89/69/70/567896970.db2.gz XMCWDMQYPRQJBC-UHFFFAOYSA-N 1 0 296.292 3.578 50 0 CHAARO Cc1nc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c[nH]1 ZINC000065387960 567898914 /nfs/dbraw/zinc/89/89/14/567898914.db2.gz KFQWMXSEPHNTBU-LBPRGKRZSA-N 1 0 255.365 3.542 50 0 CHAARO CC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1C(C)C ZINC000065430470 567899118 /nfs/dbraw/zinc/89/91/18/567899118.db2.gz YDYUZRRARKUBLS-VEGGFIAOSA-N 1 0 272.436 3.504 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000065428284 567899293 /nfs/dbraw/zinc/89/92/93/567899293.db2.gz RSGQWUAJUMKKQW-JWAFFJSPSA-N 1 0 256.349 3.771 50 0 CHAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)n1 ZINC000065435940 567899296 /nfs/dbraw/zinc/89/92/96/567899296.db2.gz XBBHMHKTUFGFCD-MRXNPFEDSA-N 1 0 295.386 3.693 50 0 CHAARO C[C@H](c1cccc(-c2ncnc3[nH]ccc32)c1)[NH+]1CCCC1 ZINC000065506755 567899540 /nfs/dbraw/zinc/89/95/40/567899540.db2.gz JNVBZYJGZDTSGP-CYBMUJFWSA-N 1 0 292.386 3.782 50 0 CHAARO Cc1n[nH]c(C)c1CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000067678749 567900198 /nfs/dbraw/zinc/90/01/98/567900198.db2.gz TXABIQCLNMLZEP-AWEZNQCLSA-N 1 0 263.429 3.518 50 0 CHAARO Nc1cc(C[NH+]2CCCC2)ccc1NC1CCCCC1 ZINC000071788745 567902172 /nfs/dbraw/zinc/90/21/72/567902172.db2.gz BQXNQZSGULSJTN-UHFFFAOYSA-N 1 0 273.424 3.609 50 0 CHAARO Nc1ncccc1C[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000072421083 567902673 /nfs/dbraw/zinc/90/26/73/567902673.db2.gz RACUHAQVMDKPSM-INIZCTEOSA-N 1 0 285.366 3.530 50 0 CHAARO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C)o1 ZINC000097111290 567904710 /nfs/dbraw/zinc/90/47/10/567904710.db2.gz RFTWKCWWIXIVSH-AWEZNQCLSA-N 1 0 286.375 3.576 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](c1cccs1)c1ccc(C)cc1 ZINC000097159365 567904822 /nfs/dbraw/zinc/90/48/22/567904822.db2.gz HYVLALFRFIMKKE-KRWDZBQOSA-N 1 0 297.427 3.967 50 0 CHAARO COC[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000056908402 567905858 /nfs/dbraw/zinc/90/58/58/567905858.db2.gz LMGCIQCANFXRPV-ZDUSSCGKSA-N 1 0 287.325 3.564 50 0 CHAARO COC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000056908408 567905888 /nfs/dbraw/zinc/90/58/88/567905888.db2.gz HAMCBSFEACKSBN-LBPRGKRZSA-N 1 0 288.218 3.852 50 0 CHAARO CCCCn1ccnc1C1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000095524363 567909586 /nfs/dbraw/zinc/90/95/86/567909586.db2.gz ZBYZDFSQOFZNGN-UHFFFAOYSA-N 1 0 298.434 3.771 50 0 CHAARO C[C@@H](C[N@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000097463511 567910426 /nfs/dbraw/zinc/91/04/26/567910426.db2.gz VEXDHNSQIIPUSK-HNNXBMFYSA-N 1 0 266.388 3.850 50 0 CHAARO Oc1ccc2cc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)ccc2c1 ZINC000097499492 567910435 /nfs/dbraw/zinc/91/04/35/567910435.db2.gz MJKRYMWTFYUPPR-RTBURBONSA-N 1 0 297.398 3.689 50 0 CHAARO Cc1ccc(C[N@H+](C)CCC[C@@H]2CCCO2)c2cccnc12 ZINC000097574928 567910907 /nfs/dbraw/zinc/91/09/07/567910907.db2.gz QWGLLUPNNDEAQL-QGZVFWFLSA-N 1 0 298.430 3.934 50 0 CHAARO CC(C)COc1ccc(C(=O)CC[NH+]2CCCCC2)cc1 ZINC000000340681 567926964 /nfs/dbraw/zinc/92/69/64/567926964.db2.gz ZOQKGTTZAAQHHZ-UHFFFAOYSA-N 1 0 289.419 3.780 50 0 CHAARO COc1ccc([C@H]([NH2+]Cc2cccc(F)n2)C(C)C)cc1 ZINC000408513781 567927631 /nfs/dbraw/zinc/92/76/31/567927631.db2.gz CVWYYMRHWGKSSO-QGZVFWFLSA-N 1 0 288.366 3.716 50 0 CHAARO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000134912112 567929330 /nfs/dbraw/zinc/92/93/30/567929330.db2.gz YGYKRTPNDDCTIZ-NXEZZACHSA-N 1 0 291.361 3.938 50 0 CHAARO CC(=O)NC1CC[NH+]([C@@H](C)c2cccc3ccccc32)CC1 ZINC000050989644 567930968 /nfs/dbraw/zinc/93/09/68/567930968.db2.gz FDRRCBNDSBSBRB-AWEZNQCLSA-N 1 0 296.414 3.501 50 0 CHAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000000177653 567935446 /nfs/dbraw/zinc/93/54/46/567935446.db2.gz RYCCFHYTRHTQGU-SFHVURJKSA-N 1 0 279.383 3.749 50 0 CHAARO CC(C)(C)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004989872 567938318 /nfs/dbraw/zinc/93/83/18/567938318.db2.gz OXDMGSINDGYSSU-UHFFFAOYSA-N 1 0 261.409 3.849 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000014168490 567942550 /nfs/dbraw/zinc/94/25/50/567942550.db2.gz DRIPMRJSCSTJNN-CQSZACIVSA-N 1 0 282.387 3.804 50 0 CHAARO Cc1cc(C[N@H+](Cc2ccsc2)CC(C)C)on1 ZINC000214990003 567947103 /nfs/dbraw/zinc/94/71/03/567947103.db2.gz QSGBYJSYKRNLJA-UHFFFAOYSA-N 1 0 264.394 3.703 50 0 CHAARO C[C@H](c1ccccn1)N(C)Cc1nc2c(s1)CCCC2 ZINC000214953823 567947116 /nfs/dbraw/zinc/94/71/16/567947116.db2.gz QKXQQGDUVHKWLA-GFCCVEGCSA-N 1 0 287.432 3.610 50 0 CHAARO Cc1cc(CN(C)Cc2oc3ccccc3c2C)on1 ZINC000214974237 567947128 /nfs/dbraw/zinc/94/71/28/567947128.db2.gz VRWGBDNRLVLEEO-UHFFFAOYSA-N 1 0 270.332 3.670 50 0 CHAARO Cc1ccsc1C[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000058166177 567948496 /nfs/dbraw/zinc/94/84/96/567948496.db2.gz UIQKDDSFEDMAFA-UHFFFAOYSA-N 1 0 266.797 3.737 50 0 CHAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2F)cc1 ZINC000023280907 567948545 /nfs/dbraw/zinc/94/85/45/567948545.db2.gz CQWQMPNHOVSUTC-AWEZNQCLSA-N 1 0 287.378 3.945 50 0 CHAARO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000040449153 567953695 /nfs/dbraw/zinc/95/36/95/567953695.db2.gz NIXRWAKIVVHSPX-HUUCEWRRSA-N 1 0 296.455 3.745 50 0 CHAARO C[C@H]1Cc2ccccc2C[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000225519156 567954045 /nfs/dbraw/zinc/95/40/45/567954045.db2.gz AFYLARMYIVYNDO-AWEZNQCLSA-N 1 0 289.419 3.555 50 0 CHAARO OCc1ccc(C[N@@H+]2CCC[C@H](CCc3ccccc3)C2)o1 ZINC000011874839 570220608 /nfs/dbraw/zinc/22/06/08/570220608.db2.gz XYWIVKCJZUMXCS-QGZVFWFLSA-N 1 0 299.414 3.617 50 0 CHAARO Cc1[nH]c2ccc(C[NH2+]C3CCSCC3)cc2c1C ZINC000011838286 570220761 /nfs/dbraw/zinc/22/07/61/570220761.db2.gz RZOHDMLXPCUJNL-UHFFFAOYSA-N 1 0 274.433 3.770 50 0 CHAARO C[C@H]1CCCC[C@H]1[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000032777680 570221891 /nfs/dbraw/zinc/22/18/91/570221891.db2.gz CJQIVLRRDCRIRZ-GOEBONIOSA-N 1 0 274.408 3.526 50 0 CHAARO C[NH+](CCOC1CCCCC1)CCOC1CCCCC1 ZINC000025559102 570230722 /nfs/dbraw/zinc/23/07/22/570230722.db2.gz FEGGAMGPNYYUJE-UHFFFAOYSA-N 1 0 283.456 3.617 50 0 CHAARO COc1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055008565 570240159 /nfs/dbraw/zinc/24/01/59/570240159.db2.gz BYKSFFSOWJMRHF-IBGZPJMESA-N 1 0 290.366 3.679 50 0 CHAARO CC(C)CC[C@@H](C)[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055131493 570241020 /nfs/dbraw/zinc/24/10/20/570241020.db2.gz HXMCHFOELFLEQA-CQSZACIVSA-N 1 0 290.455 3.617 50 0 CHAARO CC[C@H](CO)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000055357869 570242811 /nfs/dbraw/zinc/24/28/11/570242811.db2.gz OVHPHCDHIFHRMC-MRXNPFEDSA-N 1 0 289.444 3.564 50 0 CHAARO Cc1ccc(O)c(C[N@@H+](Cc2ccco2)[C@@H](C)C(C)C)n1 ZINC000055393683 570243132 /nfs/dbraw/zinc/24/31/32/570243132.db2.gz SXRYYJURSAFUCL-AWEZNQCLSA-N 1 0 288.391 3.735 50 0 CHAARO CC[n+]1c(C)sc2ccc3cc(OC)sc3c21 ZINC000000352718 570264880 /nfs/dbraw/zinc/26/48/80/570264880.db2.gz OERUINOYDBMWIS-UHFFFAOYSA-N 1 0 264.395 3.740 50 0 CHAARO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C[C@H]1C ZINC000252477857 570270272 /nfs/dbraw/zinc/27/02/72/570270272.db2.gz WNQZBQCCYVWQBJ-FVQBIDKESA-N 1 0 295.467 3.913 50 0 CHAARO C[N@H+](CC[C@H]1CCCCO1)Cc1ccc(F)c(Cl)c1 ZINC000215986401 570304723 /nfs/dbraw/zinc/30/47/23/570304723.db2.gz WHWOMVRWIWUUEW-CYBMUJFWSA-N 1 0 285.790 3.870 50 0 CHAARO COc1cc(C)c(CN(C)Cc2cnccn2)cc1C(C)C ZINC000215354205 570302909 /nfs/dbraw/zinc/30/29/09/570302909.db2.gz KUYUQAFAHIQFBT-UHFFFAOYSA-N 1 0 299.418 3.549 50 0 CHAARO CCOc1ccc(CN2CC[C@H]2c2ccc(F)cc2)cn1 ZINC000215746867 570303813 /nfs/dbraw/zinc/30/38/13/570303813.db2.gz ZOKVIXRXNJZNOD-INIZCTEOSA-N 1 0 286.350 3.566 50 0 CHAARO COCC[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000215848871 570304191 /nfs/dbraw/zinc/30/41/91/570304191.db2.gz ZRFZSHSDZQPUBQ-WPTTZPOMSA-N 1 0 277.383 3.587 50 0 CHAARO C[C@@H](C[N@H+](C)Cc1cnc2ccccc2c1)C(F)(F)F ZINC000216461905 570305576 /nfs/dbraw/zinc/30/55/76/570305576.db2.gz PTAJGSUNHOPZLL-NSHDSACASA-N 1 0 282.309 3.865 50 0 CHAARO O[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000035111609 570339433 /nfs/dbraw/zinc/33/94/33/570339433.db2.gz NZWXINLHBKTCLN-OAHLLOKOSA-N 1 0 295.304 3.529 50 0 CHAARO CC[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971859 570349140 /nfs/dbraw/zinc/34/91/40/570349140.db2.gz LBEHEZIHAOWKOM-SECBINFHSA-N 1 0 282.103 3.878 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000037128919 570362886 /nfs/dbraw/zinc/36/28/86/570362886.db2.gz LCGQRBWRJVEKIL-OAHLLOKOSA-N 1 0 275.421 3.801 50 0 CHAARO CC[C@@H](C)[C@H]([NH2+]Cc1nccn1C)c1ccc(Cl)cc1 ZINC000253417930 570385240 /nfs/dbraw/zinc/38/52/40/570385240.db2.gz NIKWKRILYGAPOL-WBMJQRKESA-N 1 0 291.826 3.951 50 0 CHAARO c1ccc(C2(C[NH2+][C@H]3CCCOC3)CCCCC2)cc1 ZINC000584886957 570385536 /nfs/dbraw/zinc/38/55/36/570385536.db2.gz HOMFTZGVHOLTGU-KRWDZBQOSA-N 1 0 273.420 3.657 50 0 CHAARO C[C@H]([NH3+])c1ccc2cc(Br)ccc2c1 ZINC000163279868 570398832 /nfs/dbraw/zinc/39/88/32/570398832.db2.gz ULQUJKPUWDEUTB-QMMMGPOBSA-N 1 0 250.139 3.622 50 0 CHAARO COc1cc2c(cc1Cl)CC[NH2+]C[C@H]2c1ccccc1 ZINC000039342370 570401065 /nfs/dbraw/zinc/40/10/65/570401065.db2.gz CTVBFLYYMMBIQW-HNNXBMFYSA-N 1 0 287.790 3.626 50 0 CHAARO CCCc1nccn1Cc1ccc(F)cc1Cl ZINC000070424278 570404004 /nfs/dbraw/zinc/40/40/04/570404004.db2.gz KTMISAOYSVBTNS-UHFFFAOYSA-N 1 0 252.720 3.676 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)o1 ZINC000077420732 570404934 /nfs/dbraw/zinc/40/49/34/570404934.db2.gz UHFIKTIOBBEJTC-AAEUAGOBSA-N 1 0 291.366 3.501 50 0 CHAARO COc1ccc(/C=C/C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000952967593 617221087 /nfs/dbraw/zinc/22/10/87/617221087.db2.gz BBRKIXNRBCDSSR-LQYUOIDQSA-N 1 0 282.387 3.796 50 0 CHAARO COCC1(C[NH2+]Cc2cccc(-c3ccco3)c2)CCC1 ZINC000952979815 616774394 /nfs/dbraw/zinc/77/43/94/616774394.db2.gz GAWUODJFMSPSAD-UHFFFAOYSA-N 1 0 285.387 3.853 50 0 CHAARO Cc1cccc(Cl)c1OCCCC[NH+]1CCCC1 ZINC000002901823 1119156339 /nfs/dbraw/zinc/15/63/39/1119156339.db2.gz SOKZLQYMMKTCLE-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000084257748 1126807413 /nfs/dbraw/zinc/80/74/13/1126807413.db2.gz LNNPJIYSOMRKNJ-VHUCWBOISA-N 1 0 295.430 3.762 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000032518076 1127924540 /nfs/dbraw/zinc/92/45/40/1127924540.db2.gz QIDXDKFTEVKKEV-HZRUHFOJSA-N 1 0 279.399 3.758 50 0 CHAARO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000170639734 1128158656 /nfs/dbraw/zinc/15/86/56/1128158656.db2.gz UOPMUMWVDWYHNI-RDJZCZTQSA-N 1 0 279.424 3.541 50 0 CHAARO Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000022023263 1118173684 /nfs/dbraw/zinc/17/36/84/1118173684.db2.gz SUWVCQVCKCEUSC-QGZVFWFLSA-N 1 0 268.360 3.514 50 0 CHAARO CC[NH+](CC)CCCCOc1ccc(Cl)cc1 ZINC000002494394 1118572156 /nfs/dbraw/zinc/57/21/56/1118572156.db2.gz LSLARAOHCJQKHQ-UHFFFAOYSA-N 1 0 255.789 3.841 50 0 CHAARO CCc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000535819617 1118891729 /nfs/dbraw/zinc/89/17/29/1118891729.db2.gz MTHNXFRDBHSPBW-UHFFFAOYSA-N 1 0 292.492 3.761 50 0 CHAARO CC[NH+](CC)CCCCCOc1ccc(F)cc1 ZINC000002899132 1119151386 /nfs/dbraw/zinc/15/13/86/1119151386.db2.gz QBPXTPVYAXWZMX-UHFFFAOYSA-N 1 0 253.361 3.717 50 0 CHAARO CC[NH+](CC)CCCOc1ccc(C)cc1Cl ZINC000002901546 1119156145 /nfs/dbraw/zinc/15/61/45/1119156145.db2.gz ARTDHUYGJLVUHE-UHFFFAOYSA-N 1 0 255.789 3.759 50 0 CHAARO CC[NH+](CC)CCCOc1ccc(Cl)cc1C ZINC000002932888 1119192598 /nfs/dbraw/zinc/19/25/98/1119192598.db2.gz IGPVLISWBUIBDJ-UHFFFAOYSA-N 1 0 255.789 3.759 50 0 CHAARO CCn1ccc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)n1 ZINC000414214437 1119942625 /nfs/dbraw/zinc/94/26/25/1119942625.db2.gz WFKUQSYKGDPTCB-HNNXBMFYSA-N 1 0 285.435 3.749 50 0 CHAARO c1ccc(CN2CCC([NH2+]CC3CCCCC3)CC2)cc1 ZINC000003683640 1120031466 /nfs/dbraw/zinc/03/14/66/1120031466.db2.gz BBTAVODBEXLYBZ-UHFFFAOYSA-N 1 0 286.463 3.821 50 0 CHAARO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c2ccccc2n1 ZINC000284825720 1120200722 /nfs/dbraw/zinc/20/07/22/1120200722.db2.gz QBYDOBIAFNJPSB-RBUKOAKNSA-N 1 0 296.414 3.687 50 0 CHAARO CCCC[N@H+](C)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000011784219 1120309697 /nfs/dbraw/zinc/30/96/97/1120309697.db2.gz GJCZBCMHZFAEKW-QGZVFWFLSA-N 1 0 294.483 3.680 50 0 CHAARO CCC[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000149775970 1120612747 /nfs/dbraw/zinc/61/27/47/1120612747.db2.gz NIGBFBTVONRYQN-AWEZNQCLSA-N 1 0 265.784 3.787 50 0 in-vitro CHAARO CO[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000509149196 1120674877 /nfs/dbraw/zinc/67/48/77/1120674877.db2.gz CLUYUUIKWWHKGO-GOSISDBHSA-N 1 0 289.419 3.619 50 0 CHAARO Cc1ccc([C@H]2CSCC[N@@H+]2CCc2ccncc2)cc1 ZINC000112634805 1120841964 /nfs/dbraw/zinc/84/19/64/1120841964.db2.gz WJKCGVMYZULCIK-GOSISDBHSA-N 1 0 298.455 3.723 50 0 CHAARO Cc1cccc(Cl)c1OCC[NH+]1CCCCC1 ZINC000004989998 1120938293 /nfs/dbraw/zinc/93/82/93/1120938293.db2.gz RQANIHRWKDXHLY-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO CC[NH+](CC)CCOc1cc(C)c(Cl)c(C)c1 ZINC000004989601 1120938649 /nfs/dbraw/zinc/93/86/49/1120938649.db2.gz KYDHSOXTISNUBC-UHFFFAOYSA-N 1 0 255.789 3.677 50 0 CHAARO C[C@@H]1CC[C@]2(C)c3c(c4ccccc4n3C)CC[N@@H+]2C1 ZINC000005091769 1120963850 /nfs/dbraw/zinc/96/38/50/1120963850.db2.gz MSXQRQHGKWQLBE-FZKQIMNGSA-N 1 0 268.404 3.682 50 0 CHAARO CC(C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc2[nH]ccc21 ZINC000888093420 1121069062 /nfs/dbraw/zinc/06/90/62/1121069062.db2.gz KEYIIGSLHFKLNM-SFHVURJKSA-N 1 0 294.398 3.618 50 0 CHAARO COCC[N@H+](C)C[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000230562075 1121223786 /nfs/dbraw/zinc/22/37/86/1121223786.db2.gz GYGHYNOHVSRLMP-LJQANCHMSA-N 1 0 295.426 3.571 50 0 CHAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](CC3CC3)CC2)c1 ZINC000014992935 1121282606 /nfs/dbraw/zinc/28/26/06/1121282606.db2.gz OYXNRQFFTIRSGP-UHFFFAOYSA-N 1 0 295.430 3.975 50 0 CHAARO c1n[nH]cc1[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000124962900 1121335969 /nfs/dbraw/zinc/33/59/69/1121335969.db2.gz SJTKZEQPHMICRQ-GOSISDBHSA-N 1 0 292.386 3.685 50 0 CHAARO c1ccc(C[N@@H+](C[C@@H]2CCCOC2)C2CCCCC2)nc1 ZINC000244626833 1121470030 /nfs/dbraw/zinc/47/00/30/1121470030.db2.gz FTOANSYITFPJCQ-INIZCTEOSA-N 1 0 288.435 3.643 50 0 CHAARO CSC1(C[NH2+]C/C(C)=C\c2ccccc2)CCOCC1 ZINC000254955920 1128993316 /nfs/dbraw/zinc/99/33/16/1128993316.db2.gz VLCRDNBDWSUULZ-QINSGFPZSA-N 1 0 291.460 3.592 50 0 CHAARO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1nccn1C1CC1)C2 ZINC000252481451 1121653369 /nfs/dbraw/zinc/65/33/69/1121653369.db2.gz CMKKXGMOSWKVLF-RHSMWYFYSA-N 1 0 273.424 3.619 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000821175253 1121921844 /nfs/dbraw/zinc/92/18/44/1121921844.db2.gz TXYINSQVQNBHHC-LBPRGKRZSA-N 1 0 296.418 3.619 50 0 CHAARO CCC(=O)O[C@]1(c2ccccc2)CC(C)(C)[N@H+](C)C[C@H]1C ZINC000822535861 1121963362 /nfs/dbraw/zinc/96/33/62/1121963362.db2.gz XFKGFNCFBQCDRO-RDTXWAMCSA-N 1 0 289.419 3.585 50 0 CHAARO CC[C@@H](C)Oc1ccccc1C[NH+]1CC(c2ccncc2)C1 ZINC000822645500 1121965671 /nfs/dbraw/zinc/96/56/71/1121965671.db2.gz TUMVUUDOHPXCRL-OAHLLOKOSA-N 1 0 296.414 3.858 50 0 CHAARO c1ccc(C[N@@H+]2CC[C@H](Nc3nc4ccccc4o3)C2)cc1 ZINC000041817345 1122352855 /nfs/dbraw/zinc/35/28/55/1122352855.db2.gz QAMVXNUZKMRPQD-HNNXBMFYSA-N 1 0 293.370 3.514 50 0 CHAARO CSCCC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000214966735 1129231341 /nfs/dbraw/zinc/23/13/41/1129231341.db2.gz SQYFUMOGSPCBOZ-UHFFFAOYSA-N 1 0 276.405 3.527 50 0 CHAARO Fc1cccc(-c2n[nH]cc2C[NH+]2CCCCCCC2)c1 ZINC000826621365 1129338939 /nfs/dbraw/zinc/33/89/39/1129338939.db2.gz QPKFCSSHTOBAMG-UHFFFAOYSA-N 1 0 287.382 3.982 50 0 CHAARO O=C(C[C@@H]1C=CCC1)Nc1ccccc1C[NH+]1CCCC1 ZINC000828075108 1129373053 /nfs/dbraw/zinc/37/30/53/1129373053.db2.gz LSSILCAAVZJITP-OAHLLOKOSA-N 1 0 284.403 3.577 50 0 CHAARO CC(C)(C)c1ccc(C[NH2+]CCN2CCCCC2)cc1 ZINC000034929055 1129420328 /nfs/dbraw/zinc/42/03/28/1129420328.db2.gz NCCRRTRVKRGELJ-UHFFFAOYSA-N 1 0 274.452 3.560 50 0 CHAARO CN(C)c1ccc(C=[NH+][N-]c2ccccc2Cl)cc1 ZINC000254501886 1129699481 /nfs/dbraw/zinc/69/94/81/1129699481.db2.gz XWHQHIMQWIFIMS-UHFFFAOYSA-N 1 0 273.767 3.852 50 0 CHAARO COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1C ZINC000000220108 1129737175 /nfs/dbraw/zinc/73/71/75/1129737175.db2.gz QLODLMUCFHGYSF-CHWSQXEVSA-N 1 0 261.409 3.790 50 0 CHAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000019111074 1129845688 /nfs/dbraw/zinc/84/56/88/1129845688.db2.gz XUBRKMBDYIPJDX-KRWDZBQOSA-N 1 0 295.430 3.975 50 0 CHAARO c1ccc([C@@H]2CCC[N@@H+](CCc3cccnc3)C2)cc1 ZINC000019835959 1129846586 /nfs/dbraw/zinc/84/65/86/1129846586.db2.gz SWUIYLDRDPOART-GOSISDBHSA-N 1 0 266.388 3.504 50 0 CHAARO Clc1ccsc1CN(Cc1ccncc1)C1CC1 ZINC000284364858 1129848040 /nfs/dbraw/zinc/84/80/40/1129848040.db2.gz KVZGKBYPCDEGII-UHFFFAOYSA-N 1 0 278.808 3.961 50 0 CHAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(CC)cc2)C1 ZINC000039445382 1129852214 /nfs/dbraw/zinc/85/22/14/1129852214.db2.gz UWVIDAQTEIXTEG-GOSISDBHSA-N 1 0 297.446 3.914 50 0 CHAARO c1csc(CN2CCC[C@H]([NH2+]Cc3ccsc3)C2)c1 ZINC000952870093 1132015375 /nfs/dbraw/zinc/01/53/75/1132015375.db2.gz RRIMIUYXIDNDKD-AWEZNQCLSA-N 1 0 292.473 3.564 50 0 CHAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccn2)nc1)C1=CCCCC1 ZINC000952869111 1132015570 /nfs/dbraw/zinc/01/55/70/1132015570.db2.gz XIAPBQBWHZRMIO-CQSZACIVSA-N 1 0 294.402 3.517 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+][C@@H](CC(C)(C)C)c1cccnc1 ZINC000952976069 1132016939 /nfs/dbraw/zinc/01/69/39/1132016939.db2.gz DQKZDZSMXIRQIE-INIZCTEOSA-N 1 0 286.423 3.689 50 0 CHAARO Cc1ccc([C@@H](C[NH2+][C@@H](C)CC(C)C)N2CCCC2)o1 ZINC000097016732 230386328 /nfs/dbraw/zinc/38/63/28/230386328.db2.gz YYWWDHGYCMJTQP-GOEBONIOSA-N 1 0 278.440 3.749 50 0 CHAARO CSc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1F ZINC000097016370 230386352 /nfs/dbraw/zinc/38/63/52/230386352.db2.gz PZQHPNQEXKSLMY-JTQLQIEISA-N 1 0 265.353 3.991 50 0 CHAARO Clc1ccc(OCC[NH2+]C2CCCC2)cc1Cl ZINC000002845279 230367553 /nfs/dbraw/zinc/36/75/53/230367553.db2.gz RNUJOGYIOGOJOU-UHFFFAOYSA-N 1 0 274.191 3.904 50 0 CHAARO CC(C)C[C@@H](C)[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000095967814 185046715 /nfs/dbraw/zinc/04/67/15/185046715.db2.gz MUSZUQKNINJFBV-MRXNPFEDSA-N 1 0 289.467 3.986 50 0 CHAARO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(Cl)c1 ZINC000095976355 185050574 /nfs/dbraw/zinc/05/05/74/185050574.db2.gz FYPFAQHQWKPDAJ-GDBMZVCRSA-N 1 0 295.810 3.552 50 0 CHAARO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(Cl)c1 ZINC000095976356 185050922 /nfs/dbraw/zinc/05/09/22/185050922.db2.gz FYPFAQHQWKPDAJ-HOCLYGCPSA-N 1 0 295.810 3.552 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000095985999 185055760 /nfs/dbraw/zinc/05/57/60/185055760.db2.gz UDZPXULGUAVLKL-CYBMUJFWSA-N 1 0 299.418 3.742 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000096003141 185062062 /nfs/dbraw/zinc/06/20/62/185062062.db2.gz WTRTZUAMIRKDFU-JJRVBVJISA-N 1 0 261.409 3.715 50 0 CHAARO CC[C@H](C)[NH2+]Cc1ccc(Br)c(C)c1 ZINC000085706617 179121260 /nfs/dbraw/zinc/12/12/60/179121260.db2.gz WGQGDMXPICRIDX-JTQLQIEISA-N 1 0 256.187 3.646 50 0 CHAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000104341616 185975840 /nfs/dbraw/zinc/97/58/40/185975840.db2.gz ZBJDYUPPOBSMOV-MAUKXSAKSA-N 1 0 297.446 3.955 50 0 CHAARO CC(=O)Nc1ccc(CC[NH2+]Cc2c(C)cccc2C)cc1 ZINC000089688779 179846782 /nfs/dbraw/zinc/84/67/82/179846782.db2.gz POYYHKCWMRUSMO-UHFFFAOYSA-N 1 0 296.414 3.594 50 0 CHAARO Cc1nc(CC[NH2+][C@@H]2CCSc3ccccc32)cs1 ZINC000089712383 179852093 /nfs/dbraw/zinc/85/20/93/179852093.db2.gz VVVPPFMOPIERBS-CQSZACIVSA-N 1 0 290.457 3.821 50 0 CHAARO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000090221402 179935694 /nfs/dbraw/zinc/93/56/94/179935694.db2.gz CADFGZXNISJCCV-BUXKBTBVSA-N 1 0 293.457 3.645 50 0 CHAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccsc1 ZINC000090765017 180036858 /nfs/dbraw/zinc/03/68/58/180036858.db2.gz VBQAEYZCXGLQCS-NXEZZACHSA-N 1 0 264.394 3.807 50 0 CHAARO CCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000091493677 180171011 /nfs/dbraw/zinc/17/10/11/180171011.db2.gz XOVDNLQRONKAFK-SFHVURJKSA-N 1 0 297.446 3.899 50 0 CHAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000091493675 180171616 /nfs/dbraw/zinc/17/16/16/180171616.db2.gz XOVDNLQRONKAFK-GOSISDBHSA-N 1 0 297.446 3.899 50 0 CHAARO COc1ccnc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)c1 ZINC000106933638 186153047 /nfs/dbraw/zinc/15/30/47/186153047.db2.gz LCHBMZMJMNPJHM-GOSISDBHSA-N 1 0 282.387 3.736 50 0 CHAARO CC[C@H](C)[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000181308352 189293260 /nfs/dbraw/zinc/29/32/60/189293260.db2.gz VTNLXFTVCDXWHM-IUCAKERBSA-N 1 0 277.334 3.511 50 0 CHAARO C[C@H](C[N@H+](C)Cc1cccc(F)c1)c1nccs1 ZINC000183975744 189373679 /nfs/dbraw/zinc/37/36/79/189373679.db2.gz YGJVOFZXRSGYRW-LLVKDONJSA-N 1 0 264.369 3.518 50 0 CHAARO Cc1cscc1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000225452115 189752039 /nfs/dbraw/zinc/75/20/39/189752039.db2.gz NTCAPZHRYKJTLI-INIZCTEOSA-N 1 0 273.401 3.929 50 0 CHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000249084059 189958915 /nfs/dbraw/zinc/95/89/15/189958915.db2.gz BAVMIBQEBOCUHJ-ZOBORPQBSA-N 1 0 291.357 3.655 50 0 CHAARO Cc1ccc([C@@H](CC[NH3+])[C@H]2CCOC(C)(C)C2)cc1 ZINC000000201897 169572906 /nfs/dbraw/zinc/57/29/06/169572906.db2.gz GXWXGJWPSDTAAG-JKSUJKDBSA-N 1 0 261.409 3.633 50 0 biogenic CHAARO CC1(C)C[C@H]([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)CCO1 ZINC000000518094 169660874 /nfs/dbraw/zinc/66/08/74/169660874.db2.gz TYMZPQWLYHQVOT-WBMJQRKESA-N 1 0 284.403 3.560 50 0 biogenic CHAARO C[C@@H](CC(C)(C)[NH+]1CCCCC1)OC(=O)C(C)(C)C ZINC000004957717 256776553 /nfs/dbraw/zinc/77/65/53/256776553.db2.gz VBXXZAWRWWUSQH-ZDUSSCGKSA-N 1 0 269.429 3.619 50 0 CHAARO [NH3+]Cc1cccc(Oc2ccc(C(F)(F)F)cc2)c1 ZINC000002513117 169797721 /nfs/dbraw/zinc/79/77/21/169797721.db2.gz GAZDAGUTSSIBIJ-UHFFFAOYSA-N 1 0 267.250 3.956 50 0 CHAARO c1ccc(Oc2ccc(C3CC[NH2+]CC3)cc2)cc1 ZINC000002527196 169803120 /nfs/dbraw/zinc/80/31/20/169803120.db2.gz MTMOLUVQNWNTBV-UHFFFAOYSA-N 1 0 253.345 3.946 50 0 CHAARO Clc1ccc(OCC[NH2+]CCc2ccccc2)cc1 ZINC000002825352 169835077 /nfs/dbraw/zinc/83/50/77/169835077.db2.gz IHDIKQRKAVOCBM-UHFFFAOYSA-N 1 0 275.779 3.551 50 0 CHAARO CC[NH+](CC)CCCCCOc1ccccc1F ZINC000002880577 169840717 /nfs/dbraw/zinc/84/07/17/169840717.db2.gz DVCJXMGJKRQPKI-UHFFFAOYSA-N 1 0 253.361 3.717 50 0 CHAARO Cc1ccc(Cl)c(OCCC[NH+]2CCCCC2)c1 ZINC000002930857 169844925 /nfs/dbraw/zinc/84/49/25/169844925.db2.gz BAKAKYZBEBGKCL-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO Brc1ccc([C@H]2CCCCC[NH2+]2)s1 ZINC000003735155 169910249 /nfs/dbraw/zinc/91/02/49/169910249.db2.gz DMXPSTCDCSLGCP-MRVPVSSYSA-N 1 0 260.200 3.715 50 0 in-vitro CHAARO Cc1cc(C)cc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000004724650 170006107 /nfs/dbraw/zinc/00/61/07/170006107.db2.gz OCLHVHHCVCPPFH-HZPDHXFCSA-N 1 0 288.435 3.610 50 0 CHAARO c1ccc2c(c1)cccc2CN1CCC([NH+]2CCCC2)CC1 ZINC000004745775 170010286 /nfs/dbraw/zinc/01/02/86/170010286.db2.gz BWEOLLJHOQRUMH-UHFFFAOYSA-N 1 0 294.442 3.900 50 0 CHAARO CC(=O)c1ccc(OCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004841027 170027898 /nfs/dbraw/zinc/02/78/98/170027898.db2.gz SPTZVLZQTDYVPD-HNNXBMFYSA-N 1 0 289.419 3.780 50 0 CHAARO CCC(=O)c1ccccc1OCCC[NH+]1CCC(C)CC1 ZINC000004842239 170028257 /nfs/dbraw/zinc/02/82/57/170028257.db2.gz UFPPIFKRHJEXDL-UHFFFAOYSA-N 1 0 289.419 3.780 50 0 CHAARO C[C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000004845462 170029881 /nfs/dbraw/zinc/02/98/81/170029881.db2.gz PKWKAMXYVZMMRJ-LBPRGKRZSA-N 1 0 298.224 3.560 50 0 CHAARO CC(=O)c1cccc(OCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000004870266 170034878 /nfs/dbraw/zinc/03/48/78/170034878.db2.gz AAJUBBSMYPFYPC-HUUCEWRRSA-N 1 0 289.419 3.636 50 0 CHAARO CCOc1ccc(OCC[N@H+](C)Cc2ccccc2)cc1 ZINC000004913124 170040418 /nfs/dbraw/zinc/04/04/18/170040418.db2.gz IENYSTZWERREFN-UHFFFAOYSA-N 1 0 285.387 3.596 50 0 CHAARO Cc1ccc(Cl)c(OCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000004912989 170040623 /nfs/dbraw/zinc/04/06/23/170040623.db2.gz BWBJSROSMCCHNC-CYBMUJFWSA-N 1 0 267.800 3.759 50 0 CHAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000004976654 170047861 /nfs/dbraw/zinc/04/78/61/170047861.db2.gz KZPYNAAHAXETPZ-UHFFFAOYSA-N 1 0 280.799 3.543 50 0 CHAARO C[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000004989343 170050061 /nfs/dbraw/zinc/05/00/61/170050061.db2.gz CAKPKLPFTPLQEJ-DZGCQCFKSA-N 1 0 256.393 3.879 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccc(C)cc2C)cc1 ZINC000004997278 170052083 /nfs/dbraw/zinc/05/20/83/170052083.db2.gz AFLQILKWQPJYQV-UHFFFAOYSA-N 1 0 255.361 3.602 50 0 CHAARO Cc1ccc(Cl)c(OCC[NH+]2CCCCC2)c1 ZINC000005024107 170057061 /nfs/dbraw/zinc/05/70/61/170057061.db2.gz LCMNWGKGKALUJF-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO CC1(C)CC[C@@](CC[NH+]2CCCC2)(c2ccccc2)CO1 ZINC000005023376 170057108 /nfs/dbraw/zinc/05/71/08/170057108.db2.gz NMVDSCNOGAKXCC-IBGZPJMESA-N 1 0 287.447 3.999 50 0 CHAARO CCc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000005061206 170062466 /nfs/dbraw/zinc/06/24/66/170062466.db2.gz RWOHMHDHUUKDHW-UHFFFAOYSA-N 1 0 255.361 3.547 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC ZINC000005061173 170062484 /nfs/dbraw/zinc/06/24/84/170062484.db2.gz AZGDLJBCGNHODV-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO C[NH+](C)Cc1ccccc1Cc1ccccc1Cl ZINC000005557619 170113106 /nfs/dbraw/zinc/11/31/06/170113106.db2.gz BMRVAVBZMVWNDP-UHFFFAOYSA-N 1 0 259.780 3.992 50 0 CHAARO c1ccc(Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000006096674 170175973 /nfs/dbraw/zinc/17/59/73/170175973.db2.gz JQTXWEHBUDESJC-UHFFFAOYSA-N 1 0 281.399 3.752 50 0 in-vitro CHAARO [NH3+]CCCCc1c2ccccc2[nH]c1-c1cccnc1 ZINC000006658154 170223191 /nfs/dbraw/zinc/22/31/91/170223191.db2.gz HJDJYXLTFIMZCX-UHFFFAOYSA-N 1 0 265.360 3.511 50 0 CHAARO Cc1c(/C=C/c2cc[n+](C)cc2)c2cc(C)ccc2n1C ZINC000006719222 170232117 /nfs/dbraw/zinc/23/21/17/170232117.db2.gz CPUFILKHDXQMHG-UHFFFAOYSA-N 1 0 277.391 3.790 50 0 CHAARO C[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000007796884 170303706 /nfs/dbraw/zinc/30/37/06/170303706.db2.gz LOAMHOUVUJPVJE-UHFFFAOYSA-N 1 0 277.371 3.601 50 0 CHAARO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCCCCCC1 ZINC000008338930 170332047 /nfs/dbraw/zinc/33/20/47/170332047.db2.gz VLACMZYDHRFZDK-LBPRGKRZSA-N 1 0 296.361 3.558 50 0 CHAARO Cc1cccc(OCCCC[NH2+]Cc2ccco2)c1 ZINC000008750529 170354293 /nfs/dbraw/zinc/35/42/93/170354293.db2.gz UQKVIGOBCSZDRN-UHFFFAOYSA-N 1 0 259.349 3.537 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000008751812 170354396 /nfs/dbraw/zinc/35/43/96/170354396.db2.gz AERUCKQGNSWOBU-UHFFFAOYSA-N 1 0 288.778 3.588 50 0 CHAARO Cc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000009280356 170369978 /nfs/dbraw/zinc/36/99/78/170369978.db2.gz XOLSJOJSKGCNDN-HNNXBMFYSA-N 1 0 250.345 3.567 50 0 CHAARO Cc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000009280355 170370149 /nfs/dbraw/zinc/37/01/49/170370149.db2.gz XOLSJOJSKGCNDN-OAHLLOKOSA-N 1 0 250.345 3.567 50 0 CHAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000019359627 170776704 /nfs/dbraw/zinc/77/67/04/170776704.db2.gz NZOCCSUBAZMUQL-YJBOKZPZSA-N 1 0 290.426 3.522 50 0 CHAARO C[C@@H](C[NH2+]C[C@H]1CCCO1)Oc1ccc(C(C)(C)C)cc1 ZINC000019737907 170850847 /nfs/dbraw/zinc/85/08/47/170850847.db2.gz SEYDLTAVGGJHPD-WMLDXEAASA-N 1 0 291.435 3.520 50 0 CHAARO CCCCOc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000019737634 170850881 /nfs/dbraw/zinc/85/08/81/170850881.db2.gz DZTYWTCDZGMALS-UHFFFAOYSA-N 1 0 270.376 3.550 50 0 CHAARO [NH3+]CC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000020429522 171194584 /nfs/dbraw/zinc/19/45/84/171194584.db2.gz AUSNQSGELDROQW-UHFFFAOYSA-N 1 0 257.299 3.866 50 0 CHAARO Cc1scc(CN2CC[NH+](C3CCCCC3)CC2)c1C ZINC000020514336 171231704 /nfs/dbraw/zinc/23/17/04/171231704.db2.gz SKROVHRMNCHBJP-UHFFFAOYSA-N 1 0 292.492 3.815 50 0 CHAARO Cc1noc(C)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020868281 171276828 /nfs/dbraw/zinc/27/68/28/171276828.db2.gz XUBUCXVKDOEEDZ-UHFFFAOYSA-N 1 0 284.403 3.746 50 0 CHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2C)no1 ZINC000021719762 171321021 /nfs/dbraw/zinc/32/10/21/171321021.db2.gz BXRVVPVIYROSMZ-QGZVFWFLSA-N 1 0 270.376 3.937 50 0 CHAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCCn2ccnc2)o1 ZINC000022077568 171352692 /nfs/dbraw/zinc/35/26/92/171352692.db2.gz NFUSOXFFLYAWQL-CQSZACIVSA-N 1 0 289.423 3.521 50 0 CHAARO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C1CCCCC1 ZINC000022197562 171372081 /nfs/dbraw/zinc/37/20/81/171372081.db2.gz RSQBOGUOZKETPL-UHFFFAOYSA-N 1 0 294.826 3.933 50 0 CHAARO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(F)cc1F ZINC000022204740 171372653 /nfs/dbraw/zinc/37/26/53/171372653.db2.gz RSJXFPVCFSEOMI-KRWDZBQOSA-N 1 0 298.336 3.990 50 0 CHAARO Cc1ccsc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000022933774 171404154 /nfs/dbraw/zinc/40/41/54/171404154.db2.gz LPQXNRRIMRXDEP-AWEZNQCLSA-N 1 0 290.432 3.576 50 0 CHAARO Cc1ccsc1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000035287271 172105049 /nfs/dbraw/zinc/10/50/49/172105049.db2.gz SMGRYYSDKHJZCF-UHFFFAOYSA-N 1 0 285.416 3.655 50 0 CHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC(=O)c1ccccc1 ZINC000037322776 173123419 /nfs/dbraw/zinc/12/34/19/173123419.db2.gz ILYDOLPBZRLXMK-GASCZTMLSA-N 1 0 259.393 3.912 50 0 CHAARO [NH3+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000037466576 173226665 /nfs/dbraw/zinc/22/66/65/173226665.db2.gz AILANKYWKDHJDG-ZDUSSCGKSA-N 1 0 280.140 3.636 50 0 CHAARO COc1ccc(C[NH2+]CCC2=CCCCC2)cc1F ZINC000037496102 173235514 /nfs/dbraw/zinc/23/55/14/173235514.db2.gz GSVAIQOCBKOTRD-UHFFFAOYSA-N 1 0 263.356 3.814 50 0 CHAARO COc1cccc([C@H]([NH3+])Cc2cc(C)cc(C)c2)c1 ZINC000038077295 174087602 /nfs/dbraw/zinc/08/76/02/174087602.db2.gz LGFHYNNNCWRVMF-QGZVFWFLSA-N 1 0 255.361 3.555 50 0 CHAARO Cc1cc(OCCC2CC[NH2+]CC2)cc(C)c1Cl ZINC000042772952 174872027 /nfs/dbraw/zinc/87/20/27/174872027.db2.gz DHEDTXMAPWNPRB-UHFFFAOYSA-N 1 0 267.800 3.725 50 0 CHAARO CC[C@H](C)c1cc(Cl)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042775437 174873921 /nfs/dbraw/zinc/87/39/21/174873921.db2.gz URZNKYWYDYHNAF-CMPLNLGQSA-N 1 0 253.773 3.594 50 0 CHAARO CC(C)[N@H+](C)CCCCNC(=O)c1ccc2ccccc2c1 ZINC000058427720 175625264 /nfs/dbraw/zinc/62/52/64/175625264.db2.gz KXVHRMALOPGQCP-UHFFFAOYSA-N 1 0 298.430 3.690 50 0 CHAARO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000071375747 176140648 /nfs/dbraw/zinc/14/06/48/176140648.db2.gz FVPHJTSCSHHWMC-MRXNPFEDSA-N 1 0 294.398 3.634 50 0 CHAARO CC(C)C(=O)Nc1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC000071712167 176248998 /nfs/dbraw/zinc/24/89/98/176248998.db2.gz BZPPSDPMODMVCG-UHFFFAOYSA-N 1 0 294.398 3.594 50 0 CHAARO CC1CC[NH+](CCNc2cccc3ccccc32)CC1 ZINC000071771277 176262476 /nfs/dbraw/zinc/26/24/76/176262476.db2.gz ZNVDDEPOONLLBN-UHFFFAOYSA-N 1 0 268.404 3.984 50 0 CHAARO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)o1 ZINC000071831360 176273107 /nfs/dbraw/zinc/27/31/07/176273107.db2.gz QEPOPYSMWYTYDA-AWEZNQCLSA-N 1 0 298.386 3.566 50 0 CHAARO Cc1ccsc1-c1nccn1CCNc1cc[nH+]cc1C ZINC000072146160 176325076 /nfs/dbraw/zinc/32/50/76/176325076.db2.gz MUCGLINZNNHYAN-UHFFFAOYSA-N 1 0 298.415 3.736 50 0 CHAARO CC(C)Cc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000072151131 176327414 /nfs/dbraw/zinc/32/74/14/176327414.db2.gz XUSJBBWZBKXRTN-OAHLLOKOSA-N 1 0 294.508 3.863 50 0 CHAARO FCCC[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000072161924 176330043 /nfs/dbraw/zinc/33/00/43/176330043.db2.gz RTTNUKRXSXZUOP-CQSZACIVSA-N 1 0 267.363 3.830 50 0 CHAARO FCCC[N@@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000072165686 176331077 /nfs/dbraw/zinc/33/10/77/176331077.db2.gz GNGORHQGBAGQOG-CQSZACIVSA-N 1 0 285.353 3.969 50 0 CHAARO FCCC[N@@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000072165685 176331249 /nfs/dbraw/zinc/33/12/49/176331249.db2.gz GNGORHQGBAGQOG-AWEZNQCLSA-N 1 0 285.353 3.969 50 0 CHAARO CCOCC[N@@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000072165662 176331346 /nfs/dbraw/zinc/33/13/46/176331346.db2.gz CFFDOZTYNJDKAW-CQSZACIVSA-N 1 0 297.389 3.646 50 0 CHAARO Oc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC000072174475 176333813 /nfs/dbraw/zinc/33/38/13/176333813.db2.gz AUAZQIXBFREGOF-GOSISDBHSA-N 1 0 296.414 3.775 50 0 CHAARO Cc1ccccc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072412049 176398800 /nfs/dbraw/zinc/39/88/00/176398800.db2.gz LXDYKMKGIZDHFK-MRXNPFEDSA-N 1 0 266.388 3.770 50 0 CHAARO Cc1n[nH]cc1C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000078411741 177339619 /nfs/dbraw/zinc/33/96/19/177339619.db2.gz YPFJOUNKKXQDJC-UHFFFAOYSA-N 1 0 291.398 3.771 50 0 CHAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000007787476 260028023 /nfs/dbraw/zinc/02/80/23/260028023.db2.gz KGAQXFONLOFKIA-GJZGRUSLSA-N 1 0 296.414 3.899 50 0 CHAARO Cc1[nH]c2c(cccc2C)c1[C@H](O)C[NH+]1CCC(C)CC1 ZINC000021793203 260122275 /nfs/dbraw/zinc/12/22/75/260122275.db2.gz STJDIJMHKQKJDI-MRXNPFEDSA-N 1 0 286.419 3.550 50 0 CHAARO C/C(=C/c1ccccc1)C[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000501463049 262185298 /nfs/dbraw/zinc/18/52/98/262185298.db2.gz RWKVDGSNAQPGEI-SZGZABIGSA-N 1 0 297.446 3.661 50 0 CHAARO C[C@@H](c1cccc(-c2ccc(=O)[nH]c2)c1)[NH+]1CCCC1 ZINC000534584983 328315050 /nfs/dbraw/zinc/31/50/50/328315050.db2.gz UIVHPQWBOOMSJD-ZDUSSCGKSA-N 1 0 268.360 3.611 50 0 CHAARO CC[C@@](C)(CC[NH2+]C1CCOCC1)c1ccccc1OC ZINC000534592743 328318677 /nfs/dbraw/zinc/31/86/77/328318677.db2.gz GVGRGPQYTBDCDU-SFHVURJKSA-N 1 0 291.435 3.522 50 0 CHAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000195568536 336056471 /nfs/dbraw/zinc/05/64/71/336056471.db2.gz PCTABRSVSCXOCC-HZMVEIRTSA-N 1 0 295.492 3.623 50 0 CHAARO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCOC1 ZINC000096500130 533921741 /nfs/dbraw/zinc/92/17/41/533921741.db2.gz UJIQJUPLJAYXKB-UONOGXRCSA-N 1 0 287.359 3.587 50 0 CHAARO O[C@@]1(c2ccccc2)CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000003080588 518203577 /nfs/dbraw/zinc/20/35/77/518203577.db2.gz QMHZMMJDSLLMCF-PMACEKPBSA-N 1 0 295.426 3.649 50 0 CHAARO Cc1ncc(C[NH2+]CCCc2ccc(C(C)C)cc2)cn1 ZINC000344314694 534741748 /nfs/dbraw/zinc/74/17/48/534741748.db2.gz GRTJLYUHFFUERY-UHFFFAOYSA-N 1 0 283.419 3.631 50 0 CHAARO CCCC[C@H]([NH2+]C1CCOCC1)c1ccc(OC)cc1 ZINC000096477073 528992503 /nfs/dbraw/zinc/99/25/03/528992503.db2.gz YYJRKZNHUJMJJR-KRWDZBQOSA-N 1 0 277.408 3.695 50 0 CHAARO CSC[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000032517925 567885787 /nfs/dbraw/zinc/88/57/87/567885787.db2.gz UTOTXZNPHJHVBW-AWEZNQCLSA-N 1 0 263.450 3.693 50 0 CHAARO CCC[N@@H+](Cc1cc(C)c(OC)cc1C)CC1CC1 ZINC000023281409 567888105 /nfs/dbraw/zinc/88/81/05/567888105.db2.gz KUDAAMYNMFYHEY-UHFFFAOYSA-N 1 0 261.409 3.934 50 0 CHAARO CC[NH+](CC)Cc1cc2c(o1)c(F)c(F)c(F)c2F ZINC000000165370 567924172 /nfs/dbraw/zinc/92/41/72/567924172.db2.gz IXCUDVYQSNSXGC-UHFFFAOYSA-N 1 0 275.245 3.831 50 0 CHAARO C[C@@H](c1ccc(-c2cnc3scnc3c2)cc1)[NH+](C)C ZINC000426634355 566823656 /nfs/dbraw/zinc/82/36/56/566823656.db2.gz WAOYEWZOFFJZJH-NSHDSACASA-N 1 0 283.400 3.981 50 0 CHAARO [NH3+]C[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 ZINC000299784888 566854180 /nfs/dbraw/zinc/85/41/80/566854180.db2.gz NCKZPALTUXLPME-AWEZNQCLSA-N 1 0 298.773 3.751 50 0 CHAARO Fc1ccc(N2CC[C@@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000076354830 566862390 /nfs/dbraw/zinc/86/23/90/566862390.db2.gz APFAZYWVQOPFRS-AWEZNQCLSA-N 1 0 276.399 3.574 50 0 CHAARO C[C@H]1C[NH+](CCCCOc2cccc(Cl)c2)C[C@H](C)O1 ZINC000020167294 566904760 /nfs/dbraw/zinc/90/47/60/566904760.db2.gz WPIVZRDEHDUZOB-KBPBESRZSA-N 1 0 297.826 3.608 50 0 CHAARO [NH3+]C[C@H](c1c[nH]c2cc(Cl)ccc21)c1ccccc1 ZINC000026512793 566947331 /nfs/dbraw/zinc/94/73/31/566947331.db2.gz SGEWZYJNWUEWFE-AWEZNQCLSA-N 1 0 270.763 3.912 50 0 CHAARO C[C@H]1C(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000239305973 566965750 /nfs/dbraw/zinc/96/57/50/566965750.db2.gz GGCLDJYYOISOSI-DTTOXWODSA-N 1 0 281.399 3.705 50 0 CHAARO Cc1cc(-c2cccc(Cl)c2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000242437540 566967982 /nfs/dbraw/zinc/96/79/82/566967982.db2.gz CFEJWGAZUVQLRH-CYBMUJFWSA-N 1 0 287.794 3.572 50 0 CHAARO ClC1(Cl)C[C@H]1CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000521396166 566976246 /nfs/dbraw/zinc/97/62/46/566976246.db2.gz YJRWZUIZISCCAU-VXGBXAGGSA-N 1 0 288.222 3.521 50 0 CHAARO CC[C@@]1(C[NH2+]Cc2ccccc2)OCCc2ccccc21 ZINC000521394250 566977282 /nfs/dbraw/zinc/97/72/82/566977282.db2.gz ZDTMCLQRGBNEFQ-IBGZPJMESA-N 1 0 281.399 3.654 50 0 CHAARO CC[NH+]1CCC2(CC1)C[C@H](C)c1cccc(C)c1N2 ZINC000006533521 566978628 /nfs/dbraw/zinc/97/86/28/566978628.db2.gz BQSUEWPCZNGDME-AWEZNQCLSA-N 1 0 258.409 3.769 50 0 CHAARO CC[NH+]1CCC2(CC1)C[C@@H](C)c1cccc(C)c1N2 ZINC000006533522 566979827 /nfs/dbraw/zinc/97/98/27/566979827.db2.gz BQSUEWPCZNGDME-CQSZACIVSA-N 1 0 258.409 3.769 50 0 CHAARO c1cc(OC2CCCC2)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000037016160 567009908 /nfs/dbraw/zinc/00/99/08/567009908.db2.gz QTRZWNKSZCFYFU-SFHVURJKSA-N 1 0 286.419 3.514 50 0 CHAARO c1ccc(COCCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000170594612 567012777 /nfs/dbraw/zinc/01/27/77/567012777.db2.gz QTKDBLKBFNDMTE-ROUUACIJSA-N 1 0 273.420 3.858 50 0 CHAARO CC[C@](C)([NH2+]Cc1ccc(COC)o1)c1ccccc1 ZINC000089942114 567030133 /nfs/dbraw/zinc/03/01/33/567030133.db2.gz FFACNFSECRTZDK-KRWDZBQOSA-N 1 0 273.376 3.841 50 0 CHAARO CC[C@H]([NH2+]CCn1cc(C)cn1)c1cccc(Cl)c1 ZINC000089947854 567031006 /nfs/dbraw/zinc/03/10/06/567031006.db2.gz RKOQBXYGPHTPSD-HNNXBMFYSA-N 1 0 277.799 3.586 50 0 CHAARO C[C@@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000089929858 567031437 /nfs/dbraw/zinc/03/14/37/567031437.db2.gz YGFMNDDVMCISSZ-LLVKDONJSA-N 1 0 281.783 3.691 50 0 CHAARO COc1ccc(OCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000002822891 567036366 /nfs/dbraw/zinc/03/63/66/567036366.db2.gz DEBIVFJWACAHII-UHFFFAOYSA-N 1 0 285.387 3.596 50 0 CHAARO CC[C@@H](C)[NH2+]CCOCCOc1c(C)cc(Cl)cc1C ZINC000002822813 567036657 /nfs/dbraw/zinc/03/66/57/567036657.db2.gz NEEPJVKFFAHATP-CQSZACIVSA-N 1 0 299.842 3.740 50 0 CHAARO C[C@H]1CCC[N@H+](CCCCOc2ccccc2F)C1 ZINC000002823872 567037241 /nfs/dbraw/zinc/03/72/41/567037241.db2.gz CZLLYBPPPFWKSH-AWEZNQCLSA-N 1 0 265.372 3.717 50 0 CHAARO Clc1cnccc1N1CCC[C@H](c2nccs2)C1 ZINC000095994717 567041569 /nfs/dbraw/zinc/04/15/69/567041569.db2.gz XQOZLYZJIQQUIV-JTQLQIEISA-N 1 0 279.796 3.576 50 0 CHAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000252477823 567055905 /nfs/dbraw/zinc/05/59/05/567055905.db2.gz VXVCAWZWHQOQIN-GPINWOSQSA-N 1 0 285.497 3.625 50 0 CHAARO CC[N@H+](C)Cc1cncc(-c2cc(C)ccc2C)c1 ZINC000037553838 567067270 /nfs/dbraw/zinc/06/72/70/567067270.db2.gz RGNCCGRJVPOGLE-UHFFFAOYSA-N 1 0 254.377 3.817 50 0 CHAARO Cc1ccc(C[NH2+]Cc2ccc(CO)c(F)c2)cc1Cl ZINC000195438913 567070231 /nfs/dbraw/zinc/07/02/31/567070231.db2.gz CITDZUHOANJZOG-UHFFFAOYSA-N 1 0 293.769 3.570 50 0 CHAARO Cc1csc([C@H]([NH2+][C@H](C)CC2CC2)C2CC2)n1 ZINC000095423329 567130774 /nfs/dbraw/zinc/13/07/74/567130774.db2.gz MWANTBSXULGPNE-NOZJJQNGSA-N 1 0 250.411 3.681 50 0 CHAARO Cc1ccc(SCC[NH2+][C@@H](C)c2cnccn2)cc1C ZINC000095419246 567132153 /nfs/dbraw/zinc/13/21/53/567132153.db2.gz WYWZGLBRUVPOJK-AWEZNQCLSA-N 1 0 287.432 3.536 50 0 CHAARO Cc1cc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c(C)s1 ZINC000095422603 567132445 /nfs/dbraw/zinc/13/24/45/567132445.db2.gz KPJPXWRRBNRULJ-BBATYDOGSA-N 1 0 287.494 3.563 50 0 CHAARO CC(C)[N@@H+](Cc1cccc(F)c1F)C[C@H]1CCCCO1 ZINC000095455743 567133715 /nfs/dbraw/zinc/13/37/15/567133715.db2.gz HGFLOTRBOMSHDB-CQSZACIVSA-N 1 0 283.362 3.744 50 0 CHAARO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000095460376 567134657 /nfs/dbraw/zinc/13/46/57/567134657.db2.gz OHPNIQDMLSLDPM-AUUYWEPGSA-N 1 0 284.447 3.526 50 0 CHAARO c1csc(-c2ncc(C[N@@H+]3CCCSCC3)s2)c1 ZINC000095468623 567136675 /nfs/dbraw/zinc/13/66/75/567136675.db2.gz REQISIKASUTECS-UHFFFAOYSA-N 1 0 296.486 3.811 50 0 CHAARO COc1ccc2[nH]c(C)c(CC[NH2+]CC(C)(C)C)c2c1 ZINC000002513405 567145191 /nfs/dbraw/zinc/14/51/91/567145191.db2.gz LVTZNXQBBDVXLD-UHFFFAOYSA-N 1 0 274.408 3.663 50 0 CHAARO C[C@@H]1Cc2ccccc2[C@H](CCc2ccccc2)[NH2+]1 ZINC000003208771 567162803 /nfs/dbraw/zinc/16/28/03/567162803.db2.gz GWHXMUJKGXTFTL-KDOFPFPSSA-N 1 0 251.373 3.895 50 0 biogenic CHAARO CC[C@@H]1CCCCN1CC(=O)c1ccc(Cl)s1 ZINC000003306946 567167493 /nfs/dbraw/zinc/16/74/93/567167493.db2.gz YEXVPVSIPDASRF-SNVBAGLBSA-N 1 0 271.813 3.849 50 0 CHAARO Cn1ccc2cc(C[N@@H+]3CCOc4ccccc4C3)ccc21 ZINC000670458236 567187362 /nfs/dbraw/zinc/18/73/62/567187362.db2.gz RGPBKZSNUWIBKX-UHFFFAOYSA-N 1 0 292.382 3.573 50 0 CHAARO C[N@H+](Cc1cc(-c2ccccn2)no1)CC1=CCCCC1 ZINC000670472347 567196422 /nfs/dbraw/zinc/19/64/22/567196422.db2.gz CSFWVGGTPFHWAH-UHFFFAOYSA-N 1 0 283.375 3.669 50 0 CHAARO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](C)C1 ZINC000069378452 567200552 /nfs/dbraw/zinc/20/05/52/567200552.db2.gz HYVYTRFOOREVKP-KBPBESRZSA-N 1 0 282.387 3.509 50 0 CHAARO C[NH+]1CCC(N(Cc2ccccc2)c2ccccc2)CC1 ZINC000000000987 567816400 /nfs/dbraw/zinc/81/64/00/567816400.db2.gz VZSXTYKGYWISGQ-UHFFFAOYSA-N 1 0 280.415 3.787 50 0 in-man CHAARO CC(=O)c1coc2ccc(OCC[NH+]3CCCCC3)cc12 ZINC000000051629 567817262 /nfs/dbraw/zinc/81/72/62/567817262.db2.gz ATEYYOJGFUAQPB-UHFFFAOYSA-N 1 0 287.359 3.500 50 0 CHAARO CC(C)COc1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1 ZINC000000131441 567819474 /nfs/dbraw/zinc/81/94/74/567819474.db2.gz JBQXDBHYAJRXFU-INIZCTEOSA-N 1 0 284.403 3.657 50 0 CHAARO COc1ccc(C[NH2+]Cc2cc(C)c(OC)cc2C)cc1 ZINC000000172194 567821384 /nfs/dbraw/zinc/82/13/84/567821384.db2.gz QRDAZGAASWROBE-UHFFFAOYSA-N 1 0 285.387 3.610 50 0 biogenic CHAARO CC[NH+](CC)Cc1cc2ccccc2c2c1COC2 ZINC000000243646 567822978 /nfs/dbraw/zinc/82/29/78/567822978.db2.gz BHPLHWSYFOPVQY-UHFFFAOYSA-N 1 0 255.361 3.712 50 0 CHAARO COc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000000263008 567823148 /nfs/dbraw/zinc/82/31/48/567823148.db2.gz SXHRESMDGYRFLU-SFHVURJKSA-N 1 0 267.372 3.862 50 0 CHAARO C[NH+](C)Cc1ccc(Sc2cccc(O)c2)cc1 ZINC000000346605 567826052 /nfs/dbraw/zinc/82/60/52/567826052.db2.gz XJCYSQZWEGTBDE-UHFFFAOYSA-N 1 0 259.374 3.605 50 0 CHAARO C[C@@H]1CCC[C@H](N2CNc3nc4ccccc4n3C2)[C@@H]1C ZINC000000537446 567833349 /nfs/dbraw/zinc/83/33/49/567833349.db2.gz KHXBHMXDHPEFQC-NFAWXSAZSA-N 1 0 284.407 3.504 50 0 CHAARO c1cc(CNc2ccc(N3CCCC3)cc2)cc2c1OCO2 ZINC000000527925 567833486 /nfs/dbraw/zinc/83/34/86/567833486.db2.gz FCJQAJIQEUVZEO-UHFFFAOYSA-N 1 0 296.370 3.628 50 0 CHAARO CCCCc1cc2ccccc2c(OCC[NH+](C)C)n1 ZINC000001671507 567841072 /nfs/dbraw/zinc/84/10/72/567841072.db2.gz XNMYNYSCEJBRPZ-UHFFFAOYSA-N 1 0 272.392 3.518 50 0 in-man CHAARO CCCCC[NH2+]Cc1cccc(Br)c1 ZINC000002178100 567845194 /nfs/dbraw/zinc/84/51/94/567845194.db2.gz JBXQBLGZXVYITJ-UHFFFAOYSA-N 1 0 256.187 3.729 50 0 CHAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)c(C)c1 ZINC000002514900 567846244 /nfs/dbraw/zinc/84/62/44/567846244.db2.gz ULIYJEAKEKCTDL-UHFFFAOYSA-N 1 0 291.394 3.906 50 0 CHAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000002514538 567846467 /nfs/dbraw/zinc/84/64/67/567846467.db2.gz BYDFANUWRYHSCM-UHFFFAOYSA-N 1 0 257.377 3.655 50 0 CHAARO Brc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000002581646 567848679 /nfs/dbraw/zinc/84/86/79/567848679.db2.gz QXBYDLUZMIWCRP-UHFFFAOYSA-N 1 0 276.177 3.739 50 0 CHAARO C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000003439285 567852894 /nfs/dbraw/zinc/85/28/94/567852894.db2.gz CZQOOMWYHYUSME-UHFFFAOYSA-N 1 0 298.789 3.682 50 0 CHAARO Cc1sc([C@@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000003708660 567853444 /nfs/dbraw/zinc/85/34/44/567853444.db2.gz XYPLJIPSPRVZHJ-SSDOTTSWSA-N 1 0 252.770 3.792 50 0 CHAARO c1ccc(C(c2ccccc2)[C@H]2CCCC[NH2+]2)cc1 ZINC000003734617 567853526 /nfs/dbraw/zinc/85/35/26/567853526.db2.gz RWTNXJXZVGHMGI-QGZVFWFLSA-N 1 0 251.373 3.961 50 0 in-vitro CHAARO C[C@@H]1C[C@]2(C[C@H](C)[N@@H+](C)C[C@@H]2C)Nc2ccccc21 ZINC000004006409 567854566 /nfs/dbraw/zinc/85/45/66/567854566.db2.gz DSXWYDFCIRWJDM-XJIUQZFPSA-N 1 0 258.409 3.705 50 0 CHAARO Clc1ccc(OCC[NH+]2CCCC2)c2ccccc12 ZINC000004477435 567857835 /nfs/dbraw/zinc/85/78/35/567857835.db2.gz NHEFBAPEKYQPHY-UHFFFAOYSA-N 1 0 275.779 3.968 50 0 CHAARO COc1ccccc1N1CC[NH+](C2CCCCCC2)CC1 ZINC000004981381 567859261 /nfs/dbraw/zinc/85/92/61/567859261.db2.gz YFWHDQKTDZQVAP-UHFFFAOYSA-N 1 0 288.435 3.540 50 0 CHAARO CC[NH+](CC)CCOc1ccccc1OCc1ccccc1 ZINC000002836053 567860646 /nfs/dbraw/zinc/86/06/46/567860646.db2.gz ONMMPEWITMHPBK-UHFFFAOYSA-N 1 0 299.414 3.986 50 0 CHAARO Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010367231 567861528 /nfs/dbraw/zinc/86/15/28/567861528.db2.gz IRWIMDFQXWYMIQ-UHFFFAOYSA-N 1 0 294.398 3.843 50 0 CHAARO COc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000010475404 567861698 /nfs/dbraw/zinc/86/16/98/567861698.db2.gz DPNBCHNGXQMDIW-CQSZACIVSA-N 1 0 255.361 3.589 50 0 CHAARO C[C@@H]1C[N@H+](CCCc2ccccc2)Cc2ccccc2O1 ZINC000012004485 567862130 /nfs/dbraw/zinc/86/21/30/567862130.db2.gz DXPOENDRFICJIY-MRXNPFEDSA-N 1 0 281.399 3.902 50 0 CHAARO CC[NH+](CC)CCCNCc1ccccc1C(F)(F)F ZINC000013734417 567867520 /nfs/dbraw/zinc/86/75/20/567867520.db2.gz MHNTUXVXHSGWAY-UHFFFAOYSA-N 1 0 288.357 3.527 50 0 CHAARO Clc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000014217349 567868846 /nfs/dbraw/zinc/86/88/46/567868846.db2.gz BAHWOFKBPSUJRL-UHFFFAOYSA-N 1 0 257.764 3.898 50 0 CHAARO c1ccc2c(c1)cccc2OCC[C@@H]1CCC[NH2+]C1 ZINC000014632378 567869416 /nfs/dbraw/zinc/86/94/16/567869416.db2.gz XDZAFYJOKHSMME-AWEZNQCLSA-N 1 0 255.361 3.608 50 0 CHAARO c1cc2c(s1)[C@@H]1CCCC[C@H]1O[C@@]21C[NH+]2CCC1CC2 ZINC000015024434 567870438 /nfs/dbraw/zinc/87/04/38/567870438.db2.gz YOTNJKHOKZAJDD-FRFSOERESA-N 1 0 289.444 3.725 50 0 CHAARO Cc1cc([C@H]2CCCN2Cc2ccc(C)s2)no1 ZINC000015866862 567871328 /nfs/dbraw/zinc/87/13/28/567871328.db2.gz LSDWQCQSVWIMQY-CQSZACIVSA-N 1 0 262.378 3.690 50 0 CHAARO C[n+]1c(/C=C\c2ccc(F)cc2)ccc2ccccc21 ZINC000004582682 567871938 /nfs/dbraw/zinc/87/19/38/567871938.db2.gz JIQUVNFLHUAJFM-WQLSENKSSA-N 1 0 264.323 3.974 50 0 CHAARO O[C@H](C[NH2+]Cc1cccc(Cl)c1Cl)c1ccccc1 ZINC000016477520 567873015 /nfs/dbraw/zinc/87/30/15/567873015.db2.gz OMKRNUKEFZQQSY-CQSZACIVSA-N 1 0 296.197 3.817 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695545 567873746 /nfs/dbraw/zinc/87/37/46/567873746.db2.gz FWNWUVHKTALMLV-TXEJJXNPSA-N 1 0 295.810 3.684 50 0 CHAARO CSc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000019300620 567877499 /nfs/dbraw/zinc/87/74/99/567877499.db2.gz UIXXCPIZWSSKOW-CQSZACIVSA-N 1 0 287.432 3.511 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(F)cc1 ZINC000019702287 567878462 /nfs/dbraw/zinc/87/84/62/567878462.db2.gz XQZPTCJTTCSDTJ-QGZVFWFLSA-N 1 0 296.345 3.551 50 0 biogenic CHAARO C[C@H](C[NH2+]C1CCCC1)Oc1ccc(Cl)cc1 ZINC000019738127 567878880 /nfs/dbraw/zinc/87/88/80/567878880.db2.gz MELXTMKTWCJGQC-LLVKDONJSA-N 1 0 253.773 3.640 50 0 CHAARO CC1CCC([NH+]2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000019832012 567879029 /nfs/dbraw/zinc/87/90/29/567879029.db2.gz OTAFKASHJUSMRT-UHFFFAOYSA-N 1 0 290.426 3.522 50 0 CHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3F)CC2)C1 ZINC000019842425 567879172 /nfs/dbraw/zinc/87/91/72/567879172.db2.gz YQJPGSDHPPYAJK-NVXWUHKLSA-N 1 0 290.426 3.522 50 0 CHAARO CCc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019842396 567879290 /nfs/dbraw/zinc/87/92/90/567879290.db2.gz LJVJTEXKTXQCQO-UHFFFAOYSA-N 1 0 286.463 3.699 50 0 CHAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(Cl)cc1Cl ZINC000019771278 567879319 /nfs/dbraw/zinc/87/93/19/567879319.db2.gz GMBQVXMEPMJXFC-XHDPSFHLSA-N 1 0 299.245 3.662 50 0 CHAARO CCC(C)(C)[NH2+]Cc1cc(Br)ccc1F ZINC000019879703 567879765 /nfs/dbraw/zinc/87/97/65/567879765.db2.gz FRGHOJGOFIWOFP-UHFFFAOYSA-N 1 0 274.177 3.866 50 0 CHAARO C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000124116960 567882516 /nfs/dbraw/zinc/88/25/16/567882516.db2.gz ALMDGEVGPAUUJW-GFCCVEGCSA-N 1 0 261.262 3.529 50 0 CHAARO CCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662476 567883619 /nfs/dbraw/zinc/88/36/19/567883619.db2.gz XRUFVMGLPUESBT-AWEZNQCLSA-N 1 0 294.464 3.582 50 0 CHAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H](C)Cc1ccccc1F ZINC000032582161 567886119 /nfs/dbraw/zinc/88/61/19/567886119.db2.gz IJKDOEINWGCDQK-KBPBESRZSA-N 1 0 281.415 3.676 50 0 CHAARO O[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000023280078 567887817 /nfs/dbraw/zinc/88/78/17/567887817.db2.gz CLTYSGARAHLXKA-AWEZNQCLSA-N 1 0 291.778 3.557 50 0 CHAARO CCc1cc(OCCOCC[NH2+]C(C)(C)C)ccc1Cl ZINC000002974982 567888205 /nfs/dbraw/zinc/88/82/05/567888205.db2.gz BMMJSGYZZPEFOS-UHFFFAOYSA-N 1 0 299.842 3.686 50 0 CHAARO COc1cccc(OCCCC[NH+]2CCC(C)CC2)c1 ZINC000002957001 567888501 /nfs/dbraw/zinc/88/85/01/567888501.db2.gz ARJKXLJVQKDIRF-UHFFFAOYSA-N 1 0 277.408 3.586 50 0 CHAARO O[C@]12CCCC[C@@H]1[C@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000043157569 567888814 /nfs/dbraw/zinc/88/88/14/567888814.db2.gz BPSBHMXEIGURBC-ILXRZTDVSA-N 1 0 299.336 3.661 50 0 CHAARO FC(F)(F)c1ccccc1-c1c[nH]c([C@H]2CCC[NH2+]2)n1 ZINC000036874060 567889586 /nfs/dbraw/zinc/88/95/86/567889586.db2.gz DIVWFDGFBNTRRP-LLVKDONJSA-N 1 0 281.281 3.520 50 0 CHAARO [NH3+]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000041155544 567890973 /nfs/dbraw/zinc/89/09/73/567890973.db2.gz NFHDXADYNWNHFK-UHFFFAOYSA-N 1 0 263.385 3.626 50 0 CHAARO Cc1cc(OC[C@H]2CC[NH2+]C2)c(Cl)c(C)c1Cl ZINC000042773721 567891518 /nfs/dbraw/zinc/89/15/18/567891518.db2.gz FNHFWHBWYGFVLF-JTQLQIEISA-N 1 0 274.191 3.599 50 0 CHAARO CC(C)(C)c1ccc(COCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042772019 567891636 /nfs/dbraw/zinc/89/16/36/567891636.db2.gz QWQPFXJJGFEFKC-OAHLLOKOSA-N 1 0 275.436 3.890 50 0 CHAARO CC[C@@H](C)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773222 567891665 /nfs/dbraw/zinc/89/16/65/567891665.db2.gz QRBPPUWAVHFXJH-HUUCEWRRSA-N 1 0 261.409 3.969 50 0 CHAARO C[C@H](Cc1ccc2ccccc2c1)[NH2+]C1CCOCC1 ZINC000095421508 567894279 /nfs/dbraw/zinc/89/42/79/567894279.db2.gz RCNIHJSYRHPYNC-CQSZACIVSA-N 1 0 269.388 3.539 50 0 CHAARO Cc1cccc(N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000055543310 567894371 /nfs/dbraw/zinc/89/43/71/567894371.db2.gz XVPVYTHIRNGDTJ-UHFFFAOYSA-N 1 0 280.415 3.626 50 0 CHAARO Cc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)o1 ZINC000075769252 567894691 /nfs/dbraw/zinc/89/46/91/567894691.db2.gz UPWMSCPALJQHEC-ZBFHGGJFSA-N 1 0 297.402 3.810 50 0 CHAARO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCCCC1 ZINC000058018597 567895268 /nfs/dbraw/zinc/89/52/68/567895268.db2.gz IJRQLYOKDUSUBS-LLVKDONJSA-N 1 0 291.782 3.937 50 0 CHAARO Cc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1F ZINC000070160128 567896526 /nfs/dbraw/zinc/89/65/26/567896526.db2.gz XVWWTLHQQOGWRD-UHFFFAOYSA-N 1 0 265.278 3.702 50 0 CHAARO Cc1cc([C@@H]2CCCN2Cc2ccc(F)cc2F)on1 ZINC000064666897 567897939 /nfs/dbraw/zinc/89/79/39/567897939.db2.gz ONDQOJKVNJQRGZ-AWEZNQCLSA-N 1 0 278.302 3.598 50 0 CHAARO CC[N@@H+](Cc1c(F)ccc(C)c1F)CC1CCOCC1 ZINC000065372453 567898652 /nfs/dbraw/zinc/89/86/52/567898652.db2.gz VNGVXJYZWGORAI-UHFFFAOYSA-N 1 0 283.362 3.522 50 0 CHAARO CCc1nc(C)sc1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000065370867 567898727 /nfs/dbraw/zinc/89/87/27/567898727.db2.gz HZWUYAIFTFSJHU-NSHDSACASA-N 1 0 292.423 3.874 50 0 CHAARO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc2sccc2c1 ZINC000065388250 567898950 /nfs/dbraw/zinc/89/89/50/567898950.db2.gz DOVGERRRQXHTKC-LLVKDONJSA-N 1 0 263.406 3.540 50 0 CHAARO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000065430554 567899250 /nfs/dbraw/zinc/89/92/50/567899250.db2.gz FHJCZBHDSVPRCA-NSHDSACASA-N 1 0 273.829 3.793 50 0 CHAARO Cc1ccsc1C[N@@H+](C)[C@@H](C)c1c(C)n[nH]c1C ZINC000067726758 567899999 /nfs/dbraw/zinc/89/99/99/567899999.db2.gz OOEYUVJTYJBOES-LBPRGKRZSA-N 1 0 263.410 3.589 50 0 CHAARO COc1ccc(F)c(-c2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000067833879 567900778 /nfs/dbraw/zinc/90/07/78/567900778.db2.gz PTBIRIRGTJBOGM-UHFFFAOYSA-N 1 0 271.335 3.753 50 0 CHAARO CO[C@@H](C)c1cccc(-c2ccccc2CC[NH3+])c1 ZINC000067934903 567900934 /nfs/dbraw/zinc/90/09/34/567900934.db2.gz CREAYZSIKKLJCH-ZDUSSCGKSA-N 1 0 255.361 3.562 50 0 CHAARO CC(C)(C)c1nccn1Cc1nc2ccccc2s1 ZINC000071753715 567901779 /nfs/dbraw/zinc/90/17/79/567901779.db2.gz OJOSNXHVRFXJPF-UHFFFAOYSA-N 1 0 271.389 3.839 50 0 CHAARO CO[C@H](C)c1cccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000097045953 567903817 /nfs/dbraw/zinc/90/38/17/567903817.db2.gz UIHKEERKLQQKBS-UMPJEAMMSA-N 1 0 276.424 3.535 50 0 CHAARO CC(C)OC[C@H](C)[NH2+]Cc1csc2ccccc12 ZINC000337335720 567905314 /nfs/dbraw/zinc/90/53/14/567905314.db2.gz LQXWFMMPPRWRKD-LBPRGKRZSA-N 1 0 263.406 3.804 50 0 CHAARO Cc1cccc2[nH]c(C3CCN(c4cc[nH+]cc4)CC3)nc21 ZINC000077472046 567905626 /nfs/dbraw/zinc/90/56/26/567905626.db2.gz HSENBHBUDVUQOX-UHFFFAOYSA-N 1 0 292.386 3.650 50 0 CHAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219860 567907261 /nfs/dbraw/zinc/90/72/61/567907261.db2.gz CODCTQSVVVCCFR-MRVPVSSYSA-N 1 0 276.605 3.991 50 0 CHAARO C[C@H](C[N@H+](Cc1ccncc1)C1CC1)c1ccccc1 ZINC000097463512 567910351 /nfs/dbraw/zinc/91/03/51/567910351.db2.gz VEXDHNSQIIPUSK-OAHLLOKOSA-N 1 0 266.388 3.850 50 0 CHAARO Cc1c(C[N@@H+](C)C2CCSCC2)[nH]c2ccc(F)cc12 ZINC000097604306 567910824 /nfs/dbraw/zinc/91/08/24/567910824.db2.gz NUKVFEDETKZZAV-UHFFFAOYSA-N 1 0 292.423 3.943 50 0 CHAARO CC(C)Nc1ccc(-c2ccc([C@H](C)[NH+](C)C)cc2)nn1 ZINC000097759282 567911322 /nfs/dbraw/zinc/91/13/22/567911322.db2.gz YYIGLTOVJLEUCV-ZDUSSCGKSA-N 1 0 284.407 3.587 50 0 CHAARO Cc1ccc(C(=O)O[C@H](C)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000103731953 567915798 /nfs/dbraw/zinc/91/57/98/567915798.db2.gz VMMIODCQIXEPNU-BZUAXINKSA-N 1 0 289.419 3.803 50 0 CHAARO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC000000186670 567924852 /nfs/dbraw/zinc/92/48/52/567924852.db2.gz SPHISTHYEUHNGE-MRXNPFEDSA-N 1 0 288.435 3.815 50 0 CHAARO COc1ccc2cc(-c3ccccc3C[NH3+])ccc2c1 ZINC000049955976 567926627 /nfs/dbraw/zinc/92/66/27/567926627.db2.gz MNPFRPMOAZJGSN-UHFFFAOYSA-N 1 0 263.340 3.974 50 0 CHAARO C[NH+](C)CCC[C@@]1(O)CCCC[C@@H]1Sc1ccccc1 ZINC000000346341 567926990 /nfs/dbraw/zinc/92/69/90/567926990.db2.gz PEKSNELRDZFZJS-IRXDYDNUSA-N 1 0 293.476 3.794 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000248259626 567928844 /nfs/dbraw/zinc/92/88/44/567928844.db2.gz QANRNMUWCPZKAL-LYRGGWFBSA-N 1 0 270.376 3.573 50 0 CHAARO CC[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000005163598 567929445 /nfs/dbraw/zinc/92/94/45/567929445.db2.gz RBQNQFMKPXTQKL-ZDUSSCGKSA-N 1 0 270.376 3.615 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1CCCNc1nc2ccccc2o1 ZINC000012897993 567940772 /nfs/dbraw/zinc/94/07/72/567940772.db2.gz MNDSDSAQOXOCPO-CYBMUJFWSA-N 1 0 273.380 3.504 50 0 CHAARO COc1cccc(CC[NH2+]Cc2ccc(C)cc2C)c1 ZINC000019720941 567944722 /nfs/dbraw/zinc/94/47/22/567944722.db2.gz UWGKHVNLQNLISC-UHFFFAOYSA-N 1 0 269.388 3.644 50 0 CHAARO Clc1ccc([C@H]([NH2+]C[C@H]2CCCCO2)C2CC2)cc1 ZINC000049900036 567946717 /nfs/dbraw/zinc/94/67/17/567946717.db2.gz VBUGGBZITDYIBV-HZPDHXFCSA-N 1 0 279.811 3.950 50 0 CHAARO Cc1cc(CN2CCC[N@@H+](C3CCCC3)CC2)ccc1F ZINC000216544606 567947768 /nfs/dbraw/zinc/94/77/68/567947768.db2.gz KEZGNJXOJBUBLW-UHFFFAOYSA-N 1 0 290.426 3.584 50 0 CHAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccccc1F ZINC000000819104 567948233 /nfs/dbraw/zinc/94/82/33/567948233.db2.gz WMPAOPFXYJIUKQ-UHFFFAOYSA-N 1 0 299.324 3.977 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H](C)CCO)o1 ZINC000225421792 567953477 /nfs/dbraw/zinc/95/34/77/567953477.db2.gz LCIBTFWQKWYDTG-LBPRGKRZSA-N 1 0 291.366 3.502 50 0 CHAARO Cc1ccc2cc(C[NH2+]CCC[C@H]3CCC[C@H]3O)ccc2n1 ZINC000225464842 567953672 /nfs/dbraw/zinc/95/36/72/567953672.db2.gz RTJZBTCZMSASQC-VQIMIIECSA-N 1 0 298.430 3.574 50 0 CHAARO CC[C@@H](c1ccc(OC)cc1)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000001595244 567956022 /nfs/dbraw/zinc/95/60/22/567956022.db2.gz ISFKIIUDJLSBCL-ROUUACIJSA-N 1 0 285.387 3.897 50 0 CHAARO Cc1[nH]c2ccccc2c1[C@@H](C[NH3+])c1ccccc1 ZINC000011919583 570221028 /nfs/dbraw/zinc/22/10/28/570221028.db2.gz GSGJVAPSKPIZOX-HNNXBMFYSA-N 1 0 250.345 3.567 50 0 CHAARO CCCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000013896374 570221808 /nfs/dbraw/zinc/22/18/08/570221808.db2.gz FVGXVARSBZSODC-DLTLXFJOSA-N 1 0 292.467 3.706 50 0 CHAARO C[C@@]([NH3+])(Cc1cccc(Br)c1)c1ccccc1 ZINC000013888457 570221903 /nfs/dbraw/zinc/22/19/03/570221903.db2.gz HAUFLNPHNKNKRR-OAHLLOKOSA-N 1 0 290.204 3.866 50 0 CHAARO CC(C)CC[C@H](C)[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055131496 570240860 /nfs/dbraw/zinc/24/08/60/570240860.db2.gz HXMCHFOELFLEQA-AWEZNQCLSA-N 1 0 290.455 3.617 50 0 CHAARO COCC[N@H+](C/C=C/c1ccco1)Cc1ccc(C)cc1 ZINC000055211612 570241340 /nfs/dbraw/zinc/24/13/40/570241340.db2.gz BMQCDSPQRHLLEI-HWKANZROSA-N 1 0 285.387 3.750 50 0 CHAARO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2ccncc2)c1 ZINC000097038872 570251569 /nfs/dbraw/zinc/25/15/69/570251569.db2.gz PLFMPQLKSISHJS-CQSZACIVSA-N 1 0 269.392 3.625 50 0 CHAARO COc1cccc([C@H]2[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000084238174 570253193 /nfs/dbraw/zinc/25/31/93/570253193.db2.gz IJEGNJDSCQSXES-IAGOWNOFSA-N 1 0 253.345 3.513 50 0 CHAARO CC1=C[C@H](C)[C@H](C[N@H+]2CCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000061854984 570274043 /nfs/dbraw/zinc/27/40/43/570274043.db2.gz ZINAYKAEPVIUEM-XUWVNRHRSA-N 1 0 251.414 3.539 50 0 CHAARO COCC[NH2+]CCCCOc1cc(C(C)C)ccc1C ZINC000003462399 570278989 /nfs/dbraw/zinc/27/89/89/570278989.db2.gz CDRZQJYCUWNAOG-UHFFFAOYSA-N 1 0 279.424 3.513 50 0 CHAARO Cc1ccccc1C[NH+]1CCC(c2nnc(C(C)C)o2)CC1 ZINC000049377128 570300375 /nfs/dbraw/zinc/30/03/75/570300375.db2.gz PHGKOQIYAGYTPI-UHFFFAOYSA-N 1 0 299.418 3.881 50 0 CHAARO CC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000039425331 570314586 /nfs/dbraw/zinc/31/45/86/570314586.db2.gz YOXUULLSHCNAFM-UHFFFAOYSA-N 1 0 298.224 3.560 50 0 CHAARO CO[C@H]1CC[N@H+](Cc2ccc(SC3CCCCC3)o2)C1 ZINC000215243563 570302329 /nfs/dbraw/zinc/30/23/29/570302329.db2.gz KBBQWNPGXJAEKG-ZDUSSCGKSA-N 1 0 295.448 3.925 50 0 CHAARO CC(C)c1nc(CN2CCCC[C@@H]2c2cccnc2)co1 ZINC000215160153 570302340 /nfs/dbraw/zinc/30/23/40/570302340.db2.gz NZWSXICDASRFQJ-MRXNPFEDSA-N 1 0 285.391 3.920 50 0 CHAARO Clc1ccc(CN2CCC[C@H]2c2ccccn2)o1 ZINC000215122665 570302370 /nfs/dbraw/zinc/30/23/70/570302370.db2.gz CWUOZJVBNQFPDB-ZDUSSCGKSA-N 1 0 262.740 3.665 50 0 CHAARO COC[C@H]1CCCC[N@@H+]1Cc1ccc(C)c2ncccc12 ZINC000215304045 570302737 /nfs/dbraw/zinc/30/27/37/570302737.db2.gz ZASZNJHLLQPCPH-MRXNPFEDSA-N 1 0 284.403 3.544 50 0 CHAARO Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000215505452 570303307 /nfs/dbraw/zinc/30/33/07/570303307.db2.gz VNRAHPWEYWYPNU-UHFFFAOYSA-N 1 0 285.387 3.934 50 0 CHAARO C[C@H]([NH2+][C@@H]1C[C@H]2CCCc3cccc1c32)c1cnccn1 ZINC000685939709 570318294 /nfs/dbraw/zinc/31/82/94/570318294.db2.gz DWSHQHCTHHVTQY-JGGQBBKZSA-N 1 0 279.387 3.692 50 0 CHAARO CCC[N@H+](Cc1cncn1C1CC1)C1Cc2ccccc2C1 ZINC000252499444 570322880 /nfs/dbraw/zinc/32/28/80/570322880.db2.gz SARUYBDSTQLCFK-UHFFFAOYSA-N 1 0 295.430 3.597 50 0 CHAARO C[C@@H](c1nc2ccccc2n1C)[NH+]1CCCCCC1 ZINC000082086973 570325102 /nfs/dbraw/zinc/32/51/02/570325102.db2.gz CUKAMMGSYPIKMI-ZDUSSCGKSA-N 1 0 257.381 3.510 50 0 CHAARO CC(C)Cn1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cn1 ZINC000190961858 570352944 /nfs/dbraw/zinc/35/29/44/570352944.db2.gz ISQFHBMCRJDFAO-MAUKXSAKSA-N 1 0 298.434 3.517 50 0 CHAARO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000037089768 570362608 /nfs/dbraw/zinc/36/26/08/570362608.db2.gz QNXXGCIJGSGOJK-SNVBAGLBSA-N 1 0 265.353 3.747 50 0 CHAARO OC1CCC([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000090799908 570371040 /nfs/dbraw/zinc/37/10/40/570371040.db2.gz GCMRMPVCTKPUOA-QIMFLAQGSA-N 1 0 297.851 3.770 50 0 CHAARO C[C@@H]1CSc2ccccc2[C@@H]1[NH2+]Cc1cccnc1 ZINC000095427018 570371829 /nfs/dbraw/zinc/37/18/29/570371829.db2.gz RACKREXTFQOYNZ-MLGOLLRUSA-N 1 0 270.401 3.654 50 0 CHAARO O=C(c1ccccc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000000436613 570383249 /nfs/dbraw/zinc/38/32/49/570383249.db2.gz RKMMNJJFYFRSOY-SFHVURJKSA-N 1 0 279.383 3.749 50 0 CHAARO COCC[C@@H](C)[NH2+]CCc1c(C)[nH]c2c1ccc(C)c2C ZINC000584888316 570385736 /nfs/dbraw/zinc/38/57/36/570385736.db2.gz PKMXRLMALKNSGY-CYBMUJFWSA-N 1 0 288.435 3.650 50 0 CHAARO c1ccc([C@H]2CCC[C@H]2[NH2+]Cc2nnc(C3CCC3)o2)cc1 ZINC000133552900 570400293 /nfs/dbraw/zinc/40/02/93/570400293.db2.gz WKFWNBHSASJUJF-HZPDHXFCSA-N 1 0 297.402 3.763 50 0 CHAARO CCc1nc(C)c(C[NH2+][C@H](CC)c2cccs2)[nH]1 ZINC000952991152 615737236 /nfs/dbraw/zinc/73/72/36/615737236.db2.gz ZPZHNKHQCMNAOX-LLVKDONJSA-N 1 0 263.410 3.583 50 0 CHAARO CC[C@H]1C=CC[N@@H+]1C1CCN(c2ccc(F)cc2C)CC1 ZINC000952977615 615877438 /nfs/dbraw/zinc/87/74/38/615877438.db2.gz NRXMYOSOEAQNHN-INIZCTEOSA-N 1 0 288.410 3.753 50 0 CHAARO COc1cccc([C@H]2CCCC[N@@H+]2Cc2cc(C)no2)c1 ZINC000215772249 1125578617 /nfs/dbraw/zinc/57/86/17/1125578617.db2.gz XWQKKFBMQIPLMB-QGZVFWFLSA-N 1 0 286.375 3.719 50 0 CHAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[NH3+] ZINC000524732079 1126790998 /nfs/dbraw/zinc/79/09/98/1126790998.db2.gz WDTAJXMIXADUTH-XCBYOTJYSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO FC(F)(F)c1cccc(-c2c[nH]nc2[C@H]2CCC[NH2+]C2)c1 ZINC000299761915 1127746428 /nfs/dbraw/zinc/74/64/28/1127746428.db2.gz BNUCSKAHGXEFKV-NSHDSACASA-N 1 0 295.308 3.563 50 0 CHAARO CCCC[N@H+](CC)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000132610111 1127773033 /nfs/dbraw/zinc/77/30/33/1127773033.db2.gz IMJNYKRAJNIWRB-AWEZNQCLSA-N 1 0 287.407 3.843 50 0 CHAARO C[C@@H](CCCC(C)(C)O)CC[NH2+]C(C1CC1)C1CC1 ZINC000032547726 1117907505 /nfs/dbraw/zinc/90/75/05/1117907505.db2.gz PXBRWFHBZSOZJU-ZDUSSCGKSA-N 1 0 267.457 3.732 50 0 CHAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2ccccn2)o1 ZINC000022077605 1118210396 /nfs/dbraw/zinc/21/03/96/1118210396.db2.gz GZTZSYHLEABKBN-CYBMUJFWSA-N 1 0 272.392 3.829 50 0 CHAARO CC(C)[NH2+]Cc1cc(-c2ccc(C(C)C)cc2)n[nH]1 ZINC000050479219 1118502245 /nfs/dbraw/zinc/50/22/45/1118502245.db2.gz QXRGQGIBWHPLCU-UHFFFAOYSA-N 1 0 257.381 3.698 50 0 CHAARO COc1ccc([C@H](C)[N@H+](C)Cc2cnc(C(C)C)nc2)cc1 ZINC000101279835 1118582434 /nfs/dbraw/zinc/58/24/34/1118582434.db2.gz UTLHPRMEPPWFSY-AWEZNQCLSA-N 1 0 299.418 3.802 50 0 CHAARO Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccncc1 ZINC000180991228 1128828047 /nfs/dbraw/zinc/82/80/47/1128828047.db2.gz XWGPBARQRCOBTR-HNNXBMFYSA-N 1 0 288.778 3.739 50 0 CHAARO Cc1ccc([C@H]([NH2+]C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000051099991 1120168233 /nfs/dbraw/zinc/16/82/33/1120168233.db2.gz GBZAHSJSEPBFNM-IRXDYDNUSA-N 1 0 259.393 3.605 50 0 CHAARO CC[C@@H]1C[N@H+](CC2CC2)Cc2ccc(Cl)cc2O1 ZINC000014951659 1120545159 /nfs/dbraw/zinc/54/51/59/1120545159.db2.gz IRDVYOYIAZMYNK-CQSZACIVSA-N 1 0 265.784 3.723 50 0 CHAARO CCC(=O)O[C@]1(c2cccc(C)c2)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000004388763 1120692512 /nfs/dbraw/zinc/69/25/12/1120692512.db2.gz SABQXRSQNPFMEG-HDMKZQKVSA-N 1 0 289.419 3.504 50 0 CHAARO Cc1noc(C)c1C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000047960143 1120798868 /nfs/dbraw/zinc/79/88/68/1120798868.db2.gz YOANJQWWHUWASB-CYBMUJFWSA-N 1 0 258.365 3.793 50 0 CHAARO Cc1cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c2ccccc2n1 ZINC000119746504 1121262590 /nfs/dbraw/zinc/26/25/90/1121262590.db2.gz LZIRQFXRZHQLKV-QGZVFWFLSA-N 1 0 298.430 3.790 50 0 CHAARO Cc1cc(C[N@H+]2CC[C@H](OCC(C)C)C2)c2ccccc2n1 ZINC000119746381 1121262645 /nfs/dbraw/zinc/26/26/45/1121262645.db2.gz LZIRQFXRZHQLKV-KRWDZBQOSA-N 1 0 298.430 3.790 50 0 CHAARO Cc1cccc([C@@H](C)[NH+]2CCC(c3ncco3)CC2)c1 ZINC000864097168 1128978565 /nfs/dbraw/zinc/97/85/65/1128978565.db2.gz PCMDOJHUSCRKKB-CQSZACIVSA-N 1 0 270.376 3.924 50 0 CHAARO C[N@H+](Cc1ccc(Br)c(F)c1)C1CCC1 ZINC000177821449 1121780931 /nfs/dbraw/zinc/78/09/31/1121780931.db2.gz BJIZJIYXKKCKRW-UHFFFAOYSA-N 1 0 272.161 3.573 50 0 CHAARO C[C@@H]1CCCN(Cn2nc(C3CC3)sc2=S)CC1 ZINC000074719737 1124016533 /nfs/dbraw/zinc/01/65/33/1124016533.db2.gz FNHSFXUXHVWSHU-SNVBAGLBSA-N 1 0 283.466 3.631 50 0 CHAARO Cc1ccc(-c2cccc(C[N@H+](C)C[C@@H]3CCOC3)c2)o1 ZINC000823709387 1129270555 /nfs/dbraw/zinc/27/05/55/1129270555.db2.gz PCKPWMKDMBJPHI-INIZCTEOSA-N 1 0 285.387 3.723 50 0 CHAARO CCC(CC)C[N@@H+]1CC[C@H](n2c(C)cnc2C2CC2)C1 ZINC000575548047 1129427455 /nfs/dbraw/zinc/42/74/55/1129427455.db2.gz GJEMDPLGRBLZNN-INIZCTEOSA-N 1 0 275.440 3.752 50 0 CHAARO c1csc(CN2CCC[C@@H]([NH2+]Cc3ccsc3)C2)c1 ZINC000952870098 1132014553 /nfs/dbraw/zinc/01/45/53/1132014553.db2.gz RRIMIUYXIDNDKD-CQSZACIVSA-N 1 0 292.473 3.564 50 0 CHAARO Cc1nc(C[NH2+]CC2=CC[C@H]3C[C@@H]2C3(C)C)cs1 ZINC000952870351 1132014652 /nfs/dbraw/zinc/01/46/52/1132014652.db2.gz XIWUZFMSBASSOU-JSGCOSHPSA-N 1 0 262.422 3.534 50 0 CHAARO CC[C@H]1C=CC[N@@H+]1Cc1cccc2c1ccn2CC ZINC000952860417 1132015479 /nfs/dbraw/zinc/01/54/79/1132015479.db2.gz PJTPPJWSEUBTDS-HNNXBMFYSA-N 1 0 254.377 3.812 50 0 CHAARO CCc1ccc(C[N@@H+](CC)Cc2cnn(CC)c2)s1 ZINC000952861497 1132015885 /nfs/dbraw/zinc/01/58/85/1132015885.db2.gz HIPFKBCDWGRXMB-UHFFFAOYSA-N 1 0 277.437 3.549 50 0 CHAARO CNc1nc(NC[C@@]2(c3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000952872296 1132016187 /nfs/dbraw/zinc/01/61/87/1132016187.db2.gz NHNSKLGYOWWBNR-GOSISDBHSA-N 1 0 296.418 3.607 50 0 CHAARO c1cc(CNC[C@H](c2ccccc2)[NH+]2CCCCCC2)co1 ZINC000952960177 1132017971 /nfs/dbraw/zinc/01/79/71/1132017971.db2.gz CSRIVLFBJSPCPR-LJQANCHMSA-N 1 0 298.430 3.987 50 0 CHAARO FC(F)(F)c1cccc(OCC[NH2+]C2CCCC2)c1 ZINC000002845352 230367496 /nfs/dbraw/zinc/36/74/96/230367496.db2.gz ADWZONITEMSFTD-UHFFFAOYSA-N 1 0 273.298 3.616 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000096003139 185062244 /nfs/dbraw/zinc/06/22/44/185062244.db2.gz WTRTZUAMIRKDFU-GRDNDAEWSA-N 1 0 261.409 3.715 50 0 CHAARO COc1cc(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)ccn1 ZINC000096009150 185063745 /nfs/dbraw/zinc/06/37/45/185063745.db2.gz DTYNBAGDRHLBMN-DLBZAZTESA-N 1 0 296.414 3.762 50 0 CHAARO Cc1cc(C[NH2+]C2CCCC2)ccc1Br ZINC000085706623 179121857 /nfs/dbraw/zinc/12/18/57/179121857.db2.gz YCESHWACPAVBKZ-UHFFFAOYSA-N 1 0 268.198 3.790 50 0 CHAARO C[NH2+]Cc1ccccc1Oc1ccc(F)c(Cl)c1 ZINC000104430042 185999440 /nfs/dbraw/zinc/99/94/40/185999440.db2.gz QRSJHNAKKOFQIN-UHFFFAOYSA-N 1 0 265.715 3.991 50 0 CHAARO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccsc1 ZINC000090765007 180036831 /nfs/dbraw/zinc/03/68/31/180036831.db2.gz VBQAEYZCXGLQCS-UWVGGRQHSA-N 1 0 264.394 3.807 50 0 CHAARO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cncn2C2CC2)C1 ZINC000091452326 180159478 /nfs/dbraw/zinc/15/94/78/180159478.db2.gz RENXEIQYHBOICP-IBGZPJMESA-N 1 0 295.430 3.772 50 0 CHAARO CCC[C@@H]1CCC[N@@H+]1Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091587056 180200444 /nfs/dbraw/zinc/20/04/44/180200444.db2.gz TZPDLIDTNFZGRM-OAHLLOKOSA-N 1 0 284.403 3.601 50 0 CHAARO c1ccc([C@H](CNc2ncccn2)[NH+]2CCCCCC2)cc1 ZINC000091587275 180200827 /nfs/dbraw/zinc/20/08/27/180200827.db2.gz RHJYMERXCZFNMV-KRWDZBQOSA-N 1 0 296.418 3.506 50 0 CHAARO c1coc(C2=CCC[N@@H+](CCCC3CCOCC3)C2)c1 ZINC000285381181 370687115 /nfs/dbraw/zinc/68/71/15/370687115.db2.gz RQDURUZODFDQGR-UHFFFAOYSA-N 1 0 275.392 3.576 50 0 CHAARO Cc1cccc([C@@H](O)C[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000193027383 189633712 /nfs/dbraw/zinc/63/37/12/189633712.db2.gz URJHURDWQYJVKV-MOPGFXCFSA-N 1 0 296.414 3.565 50 0 CHAARO Cc1cc(C)n(CC[N@@H+]2CCCCC[C@@H]2c2ccco2)n1 ZINC000265661129 190198167 /nfs/dbraw/zinc/19/81/67/190198167.db2.gz XFRDATIBNSXGPE-MRXNPFEDSA-N 1 0 287.407 3.710 50 0 CHAARO CC[C@@]1(C)C[C@](CC[NH3+])(c2ccc(C)cc2)CCO1 ZINC000000171675 169563132 /nfs/dbraw/zinc/56/31/32/169563132.db2.gz LSXKXJPDFZUXNV-DLBZAZTESA-N 1 0 261.409 3.561 50 0 biogenic CHAARO C[C@@H]([C@@H](O)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000000276793 169595358 /nfs/dbraw/zinc/59/53/58/169595358.db2.gz PFSKVIADTYAMME-KBXCAEBGSA-N 1 0 269.388 3.748 50 0 CHAARO CCC(=O)O[C@](CC)(c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000071772232 184576150 /nfs/dbraw/zinc/57/61/50/184576150.db2.gz OBYFEDCJFQJOBI-FUHWJXTLSA-N 1 0 289.419 3.587 50 0 CHAARO CNc1nc(C)cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n1 ZINC000097805713 533078855 /nfs/dbraw/zinc/07/88/55/533078855.db2.gz NDWXBPBJFOIOTJ-AWEZNQCLSA-N 1 0 296.418 3.651 50 0 CHAARO C[C@H](CC[C@H]1CCCO1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415437 184973854 /nfs/dbraw/zinc/97/38/54/184973854.db2.gz APIFIPSYFVBPMC-TZMCWYRMSA-N 1 0 294.464 3.848 50 0 CHAARO Cc1c([C@H]2[C@@H](CC[NH3+])C2(C)C)c2ccccc2n1C ZINC000002111438 169774714 /nfs/dbraw/zinc/77/47/14/169774714.db2.gz CSWYSAZUCZBEDB-CZUORRHYSA-N 1 0 256.393 3.575 50 0 biogenic CHAARO Brc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000002497150 169795626 /nfs/dbraw/zinc/79/56/26/169795626.db2.gz MLWBBIHNWWLNFG-UHFFFAOYSA-N 1 0 298.224 3.704 50 0 CHAARO CCC[NH+](CCC)[C@H]1CCc2cccc(OC)c2C1 ZINC000003650259 169905792 /nfs/dbraw/zinc/90/57/92/169905792.db2.gz SPOMVKJPPZWHRF-HNNXBMFYSA-N 1 0 261.409 3.675 50 0 in-vitro CHAARO CC(C)OCCC[NH2+]Cc1cccc2ccccc21 ZINC000004695060 170000379 /nfs/dbraw/zinc/00/03/79/170000379.db2.gz AGDKZYFGDTZYMJ-UHFFFAOYSA-N 1 0 257.377 3.745 50 0 CHAARO Cc1ccc(NC(=O)CC[NH+]2CCCCCC2)cc1C ZINC000004725130 170005984 /nfs/dbraw/zinc/00/59/84/170005984.db2.gz CJTRVMBJKIUINS-UHFFFAOYSA-N 1 0 274.408 3.508 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000004743776 170009696 /nfs/dbraw/zinc/00/96/96/170009696.db2.gz UCDGRAQDXGRBCS-BETUJISGSA-N 1 0 294.826 3.647 50 0 CHAARO c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000004813894 170021721 /nfs/dbraw/zinc/02/17/21/170021721.db2.gz SJOLFEXJTQZBFV-SFHVURJKSA-N 1 0 297.398 3.534 50 0 CHAARO CC(=O)c1cccc(OCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000004841426 170027992 /nfs/dbraw/zinc/02/79/92/170027992.db2.gz JDBJDACDKSYXJK-OAHLLOKOSA-N 1 0 289.419 3.780 50 0 CHAARO CC(=O)c1ccccc1OCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000004842952 170029126 /nfs/dbraw/zinc/02/91/26/170029126.db2.gz AVKLNQVDROXZTN-OAHLLOKOSA-N 1 0 289.419 3.780 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000004845254 170029629 /nfs/dbraw/zinc/02/96/29/170029629.db2.gz WORAIGZOZLJABA-CHWSQXEVSA-N 1 0 267.800 3.697 50 0 CHAARO CC(=O)c1cccc(OCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004870264 170034700 /nfs/dbraw/zinc/03/47/00/170034700.db2.gz AAJUBBSMYPFYPC-GASCZTMLSA-N 1 0 289.419 3.636 50 0 CHAARO C[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CC[N@@H+]2C1 ZINC000004906156 170039782 /nfs/dbraw/zinc/03/97/82/170039782.db2.gz HBGSSXPVPKMKAU-SJCJKPOMSA-N 1 0 254.377 3.671 50 0 CHAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000004989413 170049822 /nfs/dbraw/zinc/04/98/22/170049822.db2.gz OTGCLWDVGADXKV-CYBMUJFWSA-N 1 0 273.351 3.555 50 0 CHAARO COc1ccc(C[C@@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000004989372 170049989 /nfs/dbraw/zinc/04/99/89/170049989.db2.gz JKGBOWFDMJUQFV-CQSZACIVSA-N 1 0 261.409 3.939 50 0 CHAARO COc1ccccc1CC[NH2+]C1CCCCCCC1 ZINC000004989367 170050252 /nfs/dbraw/zinc/05/02/52/170050252.db2.gz IATCHYYDMKKJOO-UHFFFAOYSA-N 1 0 261.409 3.940 50 0 CHAARO Cc1cc(OCC[NH+]2CCCCC2)cc(C)c1Cl ZINC000004990048 170050658 /nfs/dbraw/zinc/05/06/58/170050658.db2.gz QGSLCZPEHCGUEW-UHFFFAOYSA-N 1 0 267.800 3.822 50 0 CHAARO CCOc1cc(C[NH2+]C2CCCC2)c(Cl)cc1OC ZINC000005013918 170055696 /nfs/dbraw/zinc/05/56/96/170055696.db2.gz JWSWLRZYTPMCPJ-UHFFFAOYSA-N 1 0 283.799 3.780 50 0 CHAARO Cc1cc(Cl)ccc1OCC[NH+]1CCCCC1 ZINC000005023774 170056926 /nfs/dbraw/zinc/05/69/26/170056926.db2.gz OAYDPLWHBMDICC-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO CCC[NH2+][C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000005937251 170158616 /nfs/dbraw/zinc/15/86/16/170158616.db2.gz MBSGOSNNUZUOFI-GOSISDBHSA-N 1 0 296.414 3.983 50 0 CHAARO C[C@H](CC[NH+](C)C)Nc1ccnc2cc(Cl)ccc21 ZINC000006176159 170180602 /nfs/dbraw/zinc/18/06/02/170180602.db2.gz ZPMJAVPQXGHUIK-LLVKDONJSA-N 1 0 277.799 3.640 50 0 CHAARO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000006649640 170222269 /nfs/dbraw/zinc/22/22/69/170222269.db2.gz XDNFGCLPQDYKNR-GFCCVEGCSA-N 1 0 285.387 3.642 50 0 CHAARO CC[NH2+]CCOc1ccc2ccccc2c1Br ZINC000006703338 170230260 /nfs/dbraw/zinc/23/02/60/170230260.db2.gz AKKUDJCPYCXONW-UHFFFAOYSA-N 1 0 294.192 3.591 50 0 CHAARO COc1ccc(C[NH2+][C@H](C)c2ccccc2)c(OC)c1 ZINC000006779849 170242870 /nfs/dbraw/zinc/24/28/70/170242870.db2.gz WULSDLZNYCLHHC-CYBMUJFWSA-N 1 0 271.360 3.555 50 0 CHAARO CC[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006788127 170243993 /nfs/dbraw/zinc/24/39/93/170243993.db2.gz CILWEQVQHBKYMA-DTWKUNHWSA-N 1 0 289.206 3.709 50 0 CHAARO CC(C)[C@H]([NH2+]C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000008401970 170334743 /nfs/dbraw/zinc/33/47/43/170334743.db2.gz AYHGYGJGAVPTSF-KRWDZBQOSA-N 1 0 275.392 3.687 50 0 CHAARO Cc1[nH]c2ccccc2c(=O)c1C[N@H+]1CCCC[C@H]1C ZINC000008700825 170346675 /nfs/dbraw/zinc/34/66/75/170346675.db2.gz JJXANMHQTDJDOF-GFCCVEGCSA-N 1 0 270.376 3.623 50 0 CHAARO CCc1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008714144 170348457 /nfs/dbraw/zinc/34/84/57/170348457.db2.gz MLAFXHUQKPYEBO-UHFFFAOYSA-N 1 0 284.403 3.797 50 0 CHAARO Cc1ccccc1OCCCC[NH2+]Cc1ccco1 ZINC000008753718 170354165 /nfs/dbraw/zinc/35/41/65/170354165.db2.gz FHIIVXXQRVOAMX-UHFFFAOYSA-N 1 0 259.349 3.537 50 0 CHAARO COc1ccc([C@H]([NH2+][C@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000009047385 170362144 /nfs/dbraw/zinc/36/21/44/170362144.db2.gz LLBTWBHSCBMVQB-DOTOQJQBSA-N 1 0 291.435 3.940 50 0 CHAARO Clc1cccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000009722556 170385076 /nfs/dbraw/zinc/38/50/76/170385076.db2.gz PVHYGQMFJZLFIW-STQMWFEESA-N 1 0 280.824 3.844 50 0 CHAARO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000012137823 170470343 /nfs/dbraw/zinc/47/03/43/170470343.db2.gz NXOSDRYWPZAGJR-GFCCVEGCSA-N 1 0 275.779 3.872 50 0 CHAARO c1cnc(Oc2cccc(C[NH2+]C3CCCCC3)c2)nc1 ZINC000013731518 170583243 /nfs/dbraw/zinc/58/32/43/170583243.db2.gz UNQFMQXJLYGCMG-UHFFFAOYSA-N 1 0 283.375 3.691 50 0 CHAARO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000019761430 170855147 /nfs/dbraw/zinc/85/51/47/170855147.db2.gz AQLJPIVUCCPIHH-IAGOWNOFSA-N 1 0 294.483 3.606 50 0 CHAARO CCc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000019871753 170902313 /nfs/dbraw/zinc/90/23/13/170902313.db2.gz XEMZJXNHZBBJLE-UHFFFAOYSA-N 1 0 257.352 3.720 50 0 CHAARO Cc1cccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)c1 ZINC000020268106 171124383 /nfs/dbraw/zinc/12/43/83/171124383.db2.gz MQKQRVXWZXKZBR-OAHLLOKOSA-N 1 0 250.345 3.567 50 0 CHAARO CCc1noc([C@@H](C)[NH2+][C@H](C)Cc2ccc(Cl)cc2)n1 ZINC000020598757 171266364 /nfs/dbraw/zinc/26/63/64/171266364.db2.gz DFIUWZSFFNEWFE-GHMZBOCLSA-N 1 0 293.798 3.567 50 0 CHAARO Cc1ccc(COc2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000020873777 171277329 /nfs/dbraw/zinc/27/73/29/171277329.db2.gz IHPVZDCPLCMVDP-UHFFFAOYSA-N 1 0 267.372 3.826 50 0 CHAARO Cc1ccc(S[C@@H](C)C[N@H+](C)C2CCOCC2)cc1 ZINC000020998137 171284110 /nfs/dbraw/zinc/28/41/10/171284110.db2.gz IFQDMHBPNJULMY-AWEZNQCLSA-N 1 0 279.449 3.586 50 0 CHAARO COCCC[NH2+][C@@H](C)CC[C@H](C)Oc1ccccc1C ZINC000022064860 171351823 /nfs/dbraw/zinc/35/18/23/171351823.db2.gz JKGRVROLTFTBSL-HOTGVXAUSA-N 1 0 279.424 3.557 50 0 CHAARO C[C@@H]1Cc2cc([C@@H]([NH3+])CCc3ccccc3)ccc2O1 ZINC000022078690 171352406 /nfs/dbraw/zinc/35/24/06/171352406.db2.gz VUEKMEXVKPGTAQ-DYVFJYSZSA-N 1 0 267.372 3.643 50 0 CHAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1c1cccs1 ZINC000035538253 172245019 /nfs/dbraw/zinc/24/50/19/172245019.db2.gz YODUZVFEFNJHTM-OAHLLOKOSA-N 1 0 289.448 3.907 50 0 CHAARO [NH3+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000037466574 173226910 /nfs/dbraw/zinc/22/69/10/173226910.db2.gz AILANKYWKDHJDG-CYBMUJFWSA-N 1 0 280.140 3.636 50 0 CHAARO CCC(CC)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000040615116 174353491 /nfs/dbraw/zinc/35/34/91/174353491.db2.gz ACFOCIZQXORZLB-QGZVFWFLSA-N 1 0 290.451 3.622 50 0 CHAARO CCc1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042770878 174871109 /nfs/dbraw/zinc/87/11/09/174871109.db2.gz PSJCTRTUGRRDFI-UHFFFAOYSA-N 1 0 267.800 3.671 50 0 CHAARO Clc1ccc(OCC[C@@H]2CCCC[NH2+]2)c2ncccc12 ZINC000042771410 174871514 /nfs/dbraw/zinc/87/15/14/174871514.db2.gz GKFCJSJJAXXTAS-LBPRGKRZSA-N 1 0 290.794 3.799 50 0 CHAARO CC[C@@H](C)c1ccc(O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775084 174873942 /nfs/dbraw/zinc/87/39/42/174873942.db2.gz RJAVNZAOVOORKZ-ZYHUDNBSSA-N 1 0 253.773 3.594 50 0 CHAARO Cc1n[nH]c(C)c1CCC[NH2+][C@H](C)CCc1ccccc1 ZINC000067713528 175785994 /nfs/dbraw/zinc/78/59/94/175785994.db2.gz YIPRDMMUCLLUOT-CQSZACIVSA-N 1 0 285.435 3.570 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@@H](C)CC1CCCCC1 ZINC000071278891 176108184 /nfs/dbraw/zinc/10/81/84/176108184.db2.gz CKRINNAVOALMDM-NSHDSACASA-N 1 0 250.386 3.740 50 0 CHAARO Cc1cc(C2([NH3+])CCCCC2)ccc1Br ZINC000071599599 176224776 /nfs/dbraw/zinc/22/47/76/176224776.db2.gz QYFZYUMPVCCQHL-UHFFFAOYSA-N 1 0 268.198 3.876 50 0 CHAARO C[C@@H]1CCC[N@H+](CCNc2cccc3ccccc32)C1 ZINC000071771279 176262302 /nfs/dbraw/zinc/26/23/02/176262302.db2.gz QMQSUAWODIMSAN-OAHLLOKOSA-N 1 0 268.404 3.984 50 0 CHAARO CC[NH+](CC)C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000071914555 176298563 /nfs/dbraw/zinc/29/85/63/176298563.db2.gz GOLZKCWRVPXYNF-UHFFFAOYSA-N 1 0 297.446 3.541 50 0 CHAARO CCOCC[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000072144120 176323853 /nfs/dbraw/zinc/32/38/53/176323853.db2.gz XAVPMTKROVUHFA-HNNXBMFYSA-N 1 0 279.399 3.507 50 0 CHAARO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CC(c2ccccn2)C1 ZINC000072153390 176327917 /nfs/dbraw/zinc/32/79/17/176327917.db2.gz UOPBJTVKFFSKSX-UHFFFAOYSA-N 1 0 295.361 3.610 50 0 CHAARO c1coc(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000072165706 176331134 /nfs/dbraw/zinc/33/11/34/176331134.db2.gz XWGGGNYLTWZKRT-CQSZACIVSA-N 1 0 295.386 3.611 50 0 CHAARO CCCC[NH+](CCCC)CC(=O)Nc1cc(C(C)C)no1 ZINC000072314818 176368498 /nfs/dbraw/zinc/36/84/98/176368498.db2.gz ILNJEZPGAMOWLU-UHFFFAOYSA-N 1 0 295.427 3.639 50 0 CHAARO CC(C)(C)c1ccc(-c2noc(CC3CC[NH2+]CC3)n2)cc1 ZINC000072328577 176369685 /nfs/dbraw/zinc/36/96/85/176369685.db2.gz OKNYQEJENDEPDB-UHFFFAOYSA-N 1 0 299.418 3.576 50 0 CHAARO Cn1ccc2c1nccc2-c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000077304087 177250568 /nfs/dbraw/zinc/25/05/68/177250568.db2.gz DSZJXTJZFDEEEL-KRWDZBQOSA-N 1 0 277.371 3.665 50 0 CHAARO CCOc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC ZINC000023283309 266024304 /nfs/dbraw/zinc/02/43/04/266024304.db2.gz WFGJHTWSAFUEAQ-OKILXGFUSA-N 1 0 277.408 3.572 50 0 CHAARO CC(C)([NH3+])COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000252510419 328105986 /nfs/dbraw/zinc/10/59/86/328105986.db2.gz ZJWXCRGDIJOTFN-UHFFFAOYSA-N 1 0 291.341 3.808 50 0 CHAARO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000098052807 330455918 /nfs/dbraw/zinc/45/59/18/330455918.db2.gz LNNPJIYSOMRKNJ-OTMARIDSSA-N 1 0 295.430 3.762 50 0 CHAARO CO[C@H](c1ccc(-c2ccc(OC3CC3)cc2)cc1)[C@H](C)[NH3+] ZINC000530247860 333529785 /nfs/dbraw/zinc/52/97/85/333529785.db2.gz COUIYKURHYAXKY-DJJJIMSYSA-N 1 0 297.398 3.930 50 0 CHAARO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)Cc2ccncc2)c1 ZINC000097017220 533714730 /nfs/dbraw/zinc/71/47/30/533714730.db2.gz YYCYGAYKZMTBML-CVEARBPZSA-N 1 0 268.404 3.980 50 0 CHAARO Fc1ccc(COc2cccc(C[NH2+]C3CC3)c2)cc1 ZINC000016399563 534471808 /nfs/dbraw/zinc/47/18/08/534471808.db2.gz RQXFIBXSXDACIX-UHFFFAOYSA-N 1 0 271.335 3.657 50 0 CHAARO CC1(C)CCC(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000285178311 520299354 /nfs/dbraw/zinc/29/93/54/520299354.db2.gz VHCRWKTXFSXVLQ-DLBZAZTESA-N 1 0 288.435 3.718 50 0 CHAARO C[C@@H](c1cccc(Cl)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000241587859 526069824 /nfs/dbraw/zinc/06/98/24/526069824.db2.gz OXRRHZUMZJTZFD-BBRMVZONSA-N 1 0 278.827 3.571 50 0 CHAARO CC(C)OC1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000194936530 527886201 /nfs/dbraw/zinc/88/62/01/527886201.db2.gz HXOXDCVLQVNJIE-BZOOQXSSSA-N 1 0 277.408 3.779 50 0 CHAARO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccsc2)cn1 ZINC000096478882 528575752 /nfs/dbraw/zinc/57/57/52/528575752.db2.gz FJBLTJLVJXQILC-CHWSQXEVSA-N 1 0 277.437 3.980 50 0 CHAARO Fc1ccc(CC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000019904008 567879840 /nfs/dbraw/zinc/87/98/40/567879840.db2.gz CLFSLFZXGQPRIG-UHFFFAOYSA-N 1 0 263.743 3.811 50 0 CHAARO Cc1cc(OCC[C@@H]2CCCC[NH2+]2)ccc1Br ZINC000042770609 567891681 /nfs/dbraw/zinc/89/16/81/567891681.db2.gz WYWKTLXEKLMNLA-LBPRGKRZSA-N 1 0 298.224 3.669 50 0 CHAARO C[C@@H](c1ccccc1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000084656500 566885580 /nfs/dbraw/zinc/88/55/80/566885580.db2.gz JPNZJIZHVVWEDW-HNNXBMFYSA-N 1 0 266.388 3.700 50 0 CHAARO CC[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(F)cc1 ZINC000084734073 566887718 /nfs/dbraw/zinc/88/77/18/566887718.db2.gz DSHLPNCDNJEMLA-GDBMZVCRSA-N 1 0 287.382 3.641 50 0 CHAARO C[C@H]1CCCC[N@@H+]1CCCNc1nc2ccccc2o1 ZINC000012898004 566928537 /nfs/dbraw/zinc/92/85/37/566928537.db2.gz MNDSDSAQOXOCPO-ZDUSSCGKSA-N 1 0 273.380 3.504 50 0 CHAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1C ZINC000003736576 566934003 /nfs/dbraw/zinc/93/40/03/566934003.db2.gz GTGBFYKASMCWBS-GOSISDBHSA-N 1 0 292.382 3.720 50 0 CHAARO C/C=C/c1ccc(OCC[NH2+]Cc2ccccc2)c(OC)c1 ZINC000002825256 566957989 /nfs/dbraw/zinc/95/79/89/566957989.db2.gz SUCUNRLYKAJRLQ-XVNBXDOJSA-N 1 0 297.398 3.897 50 0 CHAARO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000016475841 566964073 /nfs/dbraw/zinc/96/40/73/566964073.db2.gz MXNXUGZLEBGSEG-XQQFMLRXSA-N 1 0 294.826 3.645 50 0 CHAARO COc1ccc([C@H](NC(=[NH2+])SC)c2ccccc2)cc1 ZINC000006457784 566964878 /nfs/dbraw/zinc/96/48/78/566964878.db2.gz CRYAZGJLGPWYIY-OAHLLOKOSA-N 1 0 286.400 3.672 50 0 CHAARO COc1ccc([C@@H](NC(=[NH2+])SC)c2ccccc2)cc1 ZINC000006457806 566964978 /nfs/dbraw/zinc/96/49/78/566964978.db2.gz CRYAZGJLGPWYIY-HNNXBMFYSA-N 1 0 286.400 3.672 50 0 CHAARO C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1)c1cnccn1 ZINC000241774117 566967652 /nfs/dbraw/zinc/96/76/52/566967652.db2.gz RNEWVPWFYIIHIL-RCBQFDQVSA-N 1 0 285.366 3.603 50 0 CHAARO c1ccc(C[NH2+]CC[C@@H]2CSc3ccccc3O2)cc1 ZINC000521398115 566977703 /nfs/dbraw/zinc/97/77/03/566977703.db2.gz GKJKQKYHIOBFPD-OAHLLOKOSA-N 1 0 285.412 3.720 50 0 CHAARO Brc1ccc2c(c1)C[NH2+]CC21CCCCC1 ZINC000138174931 566982238 /nfs/dbraw/zinc/98/22/38/566982238.db2.gz BZEBXNFZFCGENY-UHFFFAOYSA-N 1 0 280.209 3.754 50 0 CHAARO C[C@@H](c1cccc(-c2ncc(Cl)cn2)c1)[NH+]1CCCC1 ZINC000426389491 566988162 /nfs/dbraw/zinc/98/81/62/566988162.db2.gz RVXZQBCBHDVGHH-LBPRGKRZSA-N 1 0 287.794 3.954 50 0 CHAARO Cc1c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)cnn1C ZINC000426606750 566990622 /nfs/dbraw/zinc/99/06/22/566990622.db2.gz NPVASJAUTGVQNA-CYBMUJFWSA-N 1 0 269.392 3.552 50 0 CHAARO CCCc1nnc(-c2ccc([C@@H](C)[NH+](C)C)cc2)s1 ZINC000426658202 566991708 /nfs/dbraw/zinc/99/17/08/566991708.db2.gz JRPHCYJMQPBNEP-LLVKDONJSA-N 1 0 275.421 3.780 50 0 CHAARO CCC[N@@H+](Cc1ccccc1C)C[C@@H](O)c1ccccc1 ZINC000036099943 566993873 /nfs/dbraw/zinc/99/38/73/566993873.db2.gz BRIXVZXHLBBYNL-LJQANCHMSA-N 1 0 283.415 3.941 50 0 CHAARO CC[C@@](C)([NH2+]CC[C@@H]1CCCCO1)c1nc(C)cs1 ZINC000170076834 567005202 /nfs/dbraw/zinc/00/52/02/567005202.db2.gz QQIAVNYMQSXZIM-DZGCQCFKSA-N 1 0 282.453 3.626 50 0 CHAARO Cc1ccnc([C@@H]([NH2+]C2Cc3ccccc3C2)C2CC2)c1 ZINC000065373018 567005902 /nfs/dbraw/zinc/00/59/02/567005902.db2.gz YBEJMGHHHIKWPR-IBGZPJMESA-N 1 0 278.399 3.598 50 0 CHAARO Cc1nc(CC[NH2+][C@H]2CCSc3ccccc32)cs1 ZINC000089712385 567026065 /nfs/dbraw/zinc/02/60/65/567026065.db2.gz VVVPPFMOPIERBS-AWEZNQCLSA-N 1 0 290.457 3.821 50 0 CHAARO CCc1nc(C)c([C@H](C)[N@H+](C)CCc2ccncc2)s1 ZINC000076040343 567028494 /nfs/dbraw/zinc/02/84/94/567028494.db2.gz SKAPCHBYFMWAEV-ZDUSSCGKSA-N 1 0 289.448 3.644 50 0 CHAARO Cc1cccc([C@H](O)C[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000193027370 567032072 /nfs/dbraw/zinc/03/20/72/567032072.db2.gz URJHURDWQYJVKV-RTBURBONSA-N 1 0 296.414 3.565 50 0 CHAARO CCc1nnc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)o1 ZINC000090010472 567032178 /nfs/dbraw/zinc/03/21/78/567032178.db2.gz FZJSYQFZOPMDBE-MRXNPFEDSA-N 1 0 299.418 3.619 50 0 CHAARO C[n+]1ccc(/C=C\c2ccc(Cl)c(Cl)c2)cc1 ZINC000016980732 567033644 /nfs/dbraw/zinc/03/36/44/567033644.db2.gz YDRHSGATSBKWAN-IHWYPQMZSA-N 1 0 265.163 3.988 50 0 CHAARO Cc1ccccc1C[N@@H+](C[C@@H]1CCCCO1)C(C)C ZINC000095389764 567128348 /nfs/dbraw/zinc/12/83/48/567128348.db2.gz HRCRQWMMADSRDE-KRWDZBQOSA-N 1 0 261.409 3.775 50 0 CHAARO CC(C)C[C@@H](C)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000095457070 567133865 /nfs/dbraw/zinc/13/38/65/567133865.db2.gz GHRCACKUQSMIDE-OAHLLOKOSA-N 1 0 294.483 3.582 50 0 CHAARO C[C@H]([NH2+]Cc1ccnc2[nH]ccc21)c1ccc(F)cc1F ZINC000095462179 567133949 /nfs/dbraw/zinc/13/39/49/567133949.db2.gz HBYXFOCJWWYYKN-JTQLQIEISA-N 1 0 287.313 3.692 50 0 CHAARO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(Cl)cc2)c1 ZINC000095443038 567134738 /nfs/dbraw/zinc/13/47/38/567134738.db2.gz DCOPMVSQBOPYMT-UHFFFAOYSA-N 1 0 298.777 3.841 50 0 CHAARO CC(C)(C)Nc1ccccc/c1=[NH+]\Cc1ccccc1 ZINC000002475589 567145843 /nfs/dbraw/zinc/14/58/43/567145843.db2.gz NHBYHSXWIAWQGH-UHFFFAOYSA-N 1 0 266.388 3.998 50 0 CHAARO CC(C)[C@@H]([NH2+]CC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000057364671 567155117 /nfs/dbraw/zinc/15/51/17/567155117.db2.gz VFTLAMUROCIDIA-GOSISDBHSA-N 1 0 288.435 3.506 50 0 CHAARO CC[NH+](CC)CCNc1nc2c(s1)c(C)ccc2C ZINC000056900912 567155266 /nfs/dbraw/zinc/15/52/66/567155266.db2.gz DUSYVPHXTDACIB-UHFFFAOYSA-N 1 0 277.437 3.667 50 0 CHAARO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000230274891 567160849 /nfs/dbraw/zinc/16/08/49/567160849.db2.gz UOPMUMWVDWYHNI-NVXWUHKLSA-N 1 0 279.424 3.541 50 0 CHAARO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000057863229 567164741 /nfs/dbraw/zinc/16/47/41/567164741.db2.gz UEEZBEGNFXFPSM-LBPRGKRZSA-N 1 0 289.379 3.730 50 0 CHAARO CC[C@@H]1CCCCN1CC(=O)c1ccccc1Cl ZINC000003306532 567167676 /nfs/dbraw/zinc/16/76/76/567167676.db2.gz AZWYKQVSYKVSET-GFCCVEGCSA-N 1 0 265.784 3.787 50 0 CHAARO CO[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC000670435520 567168056 /nfs/dbraw/zinc/16/80/56/567168056.db2.gz HAAUCIGMMKOGKI-IBGZPJMESA-N 1 0 296.414 3.675 50 0 CHAARO CCCO[P@@](C)(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004026612 567185301 /nfs/dbraw/zinc/18/53/01/567185301.db2.gz IRSGFXOKDNHIQR-IQUTYRLHSA-N 1 0 289.356 3.517 50 0 biogenic CHAARO C[NH2+][C@@H](C)CN1c2ccccc2Sc2ccccc21 ZINC000000083387 567817793 /nfs/dbraw/zinc/81/77/93/567817793.db2.gz IJOZCCILCJIHOA-LBPRGKRZSA-N 1 0 270.401 3.897 50 0 in-vitro CHAARO CC(C)COc1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1 ZINC000000131443 567819458 /nfs/dbraw/zinc/81/94/58/567819458.db2.gz JBQXDBHYAJRXFU-MRXNPFEDSA-N 1 0 284.403 3.657 50 0 CHAARO Cc1ccc2nc(C(F)(F)F)cc(OCC[NH+](C)C)c2c1 ZINC000000169435 567821127 /nfs/dbraw/zinc/82/11/27/567821127.db2.gz SRZRWHAHIKMWIJ-UHFFFAOYSA-N 1 0 298.308 3.502 50 0 CHAARO COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000000172111 567821482 /nfs/dbraw/zinc/82/14/82/567821482.db2.gz XSIGKBGYHPTLBF-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO Clc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000182740 567821641 /nfs/dbraw/zinc/82/16/41/567821641.db2.gz NYMIRQOSMIXFHE-UHFFFAOYSA-N 1 0 292.854 3.790 50 0 CHAARO Cc1cccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000000182736 567821838 /nfs/dbraw/zinc/82/18/38/567821838.db2.gz JAWJYPSOUVXIGQ-KRWDZBQOSA-N 1 0 262.356 3.711 50 0 CHAARO COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000000240595 567822827 /nfs/dbraw/zinc/82/28/27/567822827.db2.gz GOIGYKYRJDDPPP-UHFFFAOYSA-N 1 0 267.372 3.562 50 0 CHAARO CCOC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000000236225 567822934 /nfs/dbraw/zinc/82/29/34/567822934.db2.gz APUBSBMSJRMTJT-UHFFFAOYSA-N 1 0 297.398 3.615 50 0 CHAARO C[NH+](C)Cc1ccc(Cc2ccc(Cl)cc2)cc1 ZINC000000346567 567826025 /nfs/dbraw/zinc/82/60/25/567826025.db2.gz PDGGHDLIWGFAKU-UHFFFAOYSA-N 1 0 259.780 3.992 50 0 CHAARO CCCCNc1cc(C)[nH+]c(NCc2ccccc2)n1 ZINC000002309401 567834686 /nfs/dbraw/zinc/83/46/86/567834686.db2.gz DPOXNTYFLHVMNX-UHFFFAOYSA-N 1 0 270.380 3.609 50 0 CHAARO CCCCCC[C@H](C(=O)OCCC)[NH+]1CCCCC1 ZINC000096026411 567834967 /nfs/dbraw/zinc/83/49/67/567834967.db2.gz UKMOXTAAWNVKPN-OAHLLOKOSA-N 1 0 269.429 3.765 50 0 CHAARO CC[NH2+]CC[C@H](COc1ccccc1)c1ccccc1 ZINC000096027221 567836234 /nfs/dbraw/zinc/83/62/34/567836234.db2.gz IIXYVQDVCJDUKK-QGZVFWFLSA-N 1 0 269.388 3.849 50 0 CHAARO CCCCOc1ccc(C(=O)CC[NH+]2CCCCC2)cc1 ZINC000001530940 567837752 /nfs/dbraw/zinc/83/77/52/567837752.db2.gz BZEWSEKUUPWQDQ-UHFFFAOYSA-N 1 0 289.419 3.924 50 0 fda CHAARO Cc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000002380283 567845411 /nfs/dbraw/zinc/84/54/11/567845411.db2.gz BJMFBYNATMSQTP-UHFFFAOYSA-N 1 0 264.372 3.809 50 0 biogenic CHAARO COc1ccccc1C[C@H](C)[NH2+][C@H](C)CCCC(C)(C)O ZINC000002499170 567846162 /nfs/dbraw/zinc/84/61/62/567846162.db2.gz XKAWVQWKRHVDFP-CABCVRRESA-N 1 0 293.451 3.546 50 0 CHAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccccc1Cl ZINC000002514908 567846214 /nfs/dbraw/zinc/84/62/14/567846214.db2.gz IGJAAUPLARMXFC-UHFFFAOYSA-N 1 0 297.785 3.943 50 0 CHAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)C1CCCCC1 ZINC000002514929 567846255 /nfs/dbraw/zinc/84/62/55/567846255.db2.gz MSEGRTQUBQQLQU-UHFFFAOYSA-N 1 0 269.388 3.821 50 0 CHAARO O=C(c1ccccc1F)c1ccccc1C[NH+]1CCCC1 ZINC000002515572 567846615 /nfs/dbraw/zinc/84/66/15/567846615.db2.gz WVRWHXPVKSFBGP-UHFFFAOYSA-N 1 0 283.346 3.653 50 0 CHAARO CC[N@H+](CCC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000002786466 567849448 /nfs/dbraw/zinc/84/94/48/567849448.db2.gz FAXAGCRWQCYNDS-UHFFFAOYSA-N 1 0 296.414 3.846 50 0 CHAARO CC[NH+](CC)CCCOc1ccc2ccccc2c1 ZINC000002885624 567850209 /nfs/dbraw/zinc/85/02/09/567850209.db2.gz XQFHNEWLAJCYOT-UHFFFAOYSA-N 1 0 257.377 3.951 50 0 CHAARO CC(C)(C)[NH2+]CCOCCOc1ccc2ccccc2c1 ZINC000002980669 567850981 /nfs/dbraw/zinc/85/09/81/567850981.db2.gz LBBMBHHYARWREJ-UHFFFAOYSA-N 1 0 287.403 3.623 50 0 CHAARO CC[C@H](C)c1ccc(OCCC[NH2+]CCCOC)cc1 ZINC000003002653 567851300 /nfs/dbraw/zinc/85/13/00/567851300.db2.gz XCZXAJCVKXPHHC-HNNXBMFYSA-N 1 0 279.424 3.595 50 0 CHAARO C[C@H]1CCC[N@H+](CCOCCSc2ccccc2)C1 ZINC000004568466 567858221 /nfs/dbraw/zinc/85/82/21/567858221.db2.gz GTDGCZAGEYQBAY-HNNXBMFYSA-N 1 0 279.449 3.527 50 0 CHAARO CC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000042205952 567859388 /nfs/dbraw/zinc/85/93/88/567859388.db2.gz LUIZXGCIQMOWCQ-UHFFFAOYSA-N 1 0 268.198 3.681 50 0 CHAARO C[NH2+]C[C@@H]1Nc2ccccc2Sc2ccccc21 ZINC000005334834 567859467 /nfs/dbraw/zinc/85/94/67/567859467.db2.gz ZGWGGARFWJJITJ-ZDUSSCGKSA-N 1 0 256.374 3.524 50 0 CHAARO Cn1cccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000126876181 567860779 /nfs/dbraw/zinc/86/07/79/567860779.db2.gz SBUANZRZJUIOGK-CQSZACIVSA-N 1 0 295.386 3.546 50 0 CHAARO CC(C)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000010435873 567861374 /nfs/dbraw/zinc/86/13/74/567861374.db2.gz RMAMHFRAFFKROS-UHFFFAOYSA-N 1 0 273.351 3.903 50 0 CHAARO Fc1ccc(CC2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000032578278 567863581 /nfs/dbraw/zinc/86/35/81/567863581.db2.gz KZAKJDHIZFROIR-MRXNPFEDSA-N 1 0 279.424 3.586 50 0 CHAARO CC(C)[NH2+][C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012706465 567864059 /nfs/dbraw/zinc/86/40/59/567864059.db2.gz MUPNKNIFCPFHOW-HNNXBMFYSA-N 1 0 267.376 3.519 50 0 CHAARO C[C@H]1CCC[C@@]2(C1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000032666101 567864510 /nfs/dbraw/zinc/86/45/10/567864510.db2.gz LPEYZMKDCFQJKR-SJCJKPOMSA-N 1 0 254.377 3.719 50 0 CHAARO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCCCCCC2)c1 ZINC000014915726 567869781 /nfs/dbraw/zinc/86/97/81/567869781.db2.gz AVDFAGFWISEQEH-MRXNPFEDSA-N 1 0 288.435 3.897 50 0 CHAARO Cc1c([C@H](C)[NH2+]C2CCC2)cnn1-c1cccc(F)c1 ZINC000014948250 567870048 /nfs/dbraw/zinc/87/00/48/567870048.db2.gz GAPVYXCDLXNZRV-NSHDSACASA-N 1 0 273.355 3.523 50 0 CHAARO C[C@H]1CCC[C@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000019637436 567877788 /nfs/dbraw/zinc/87/77/88/567877788.db2.gz ZQDARDVOOYNGKW-YRCFHQPNSA-N 1 0 298.474 3.896 50 0 CHAARO C[N@@H+]1CCCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019537644 567877901 /nfs/dbraw/zinc/87/79/01/567877901.db2.gz WYVYTZYXMDIKMT-UHFFFAOYSA-N 1 0 296.414 3.616 50 0 CHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000019789517 567879020 /nfs/dbraw/zinc/87/90/20/567879020.db2.gz WEUUGBGZAAIOQR-CRAIPNDOSA-N 1 0 290.426 3.522 50 0 CHAARO Cc1ccc2nc(-c3ccc(NC(=O)C(C)C)cc3)cn2c1 ZINC000024002960 567881848 /nfs/dbraw/zinc/88/18/48/567881848.db2.gz MXDAWCPOKMMNDH-UHFFFAOYSA-N 1 0 293.370 3.904 50 0 CHAARO CCC[N@@H+](Cc1ccc(OC)c(C)c1C)CC1CC1 ZINC000023281614 567882072 /nfs/dbraw/zinc/88/20/72/567882072.db2.gz BEXPTDTVQBHPCH-UHFFFAOYSA-N 1 0 261.409 3.934 50 0 CHAARO Cc1cc(NC[C@H]2CCCO2)nc2cc(Cl)ccc12 ZINC000023634328 567882082 /nfs/dbraw/zinc/88/20/82/567882082.db2.gz LSPVRXNPKQWTFZ-GFCCVEGCSA-N 1 0 276.767 3.788 50 0 CHAARO CC(C)c1[nH+]c2cc(N)ccc2n1CCc1ccccc1 ZINC000030769375 567884809 /nfs/dbraw/zinc/88/48/09/567884809.db2.gz FIAXJUKEYYIAPG-UHFFFAOYSA-N 1 0 279.387 3.985 50 0 CHAARO CSc1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000023280361 567887749 /nfs/dbraw/zinc/88/77/49/567887749.db2.gz RBIIRMRDFYETDX-QGZVFWFLSA-N 1 0 287.428 3.574 50 0 CHAARO COc1ccc(OCCCC[NH+]2CCC(C)CC2)cc1 ZINC000002957469 567888265 /nfs/dbraw/zinc/88/82/65/567888265.db2.gz UKVWRLJORVQGRL-UHFFFAOYSA-N 1 0 277.408 3.586 50 0 CHAARO FC(F)(F)c1ccccc1-c1c[nH]c([C@@H]2CCC[NH2+]2)n1 ZINC000036874059 567889811 /nfs/dbraw/zinc/88/98/11/567889811.db2.gz DIVWFDGFBNTRRP-NSHDSACASA-N 1 0 281.281 3.520 50 0 CHAARO CCCc1cc(Br)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042774464 567891505 /nfs/dbraw/zinc/89/15/05/567891505.db2.gz XLEGUFJKQJPKBL-CYBMUJFWSA-N 1 0 298.224 3.532 50 0 CHAARO CCCc1cc(Br)ccc1OC1CC[NH2+]CC1 ZINC000042774472 567891710 /nfs/dbraw/zinc/89/17/10/567891710.db2.gz VCYWUAFYCHAPOL-UHFFFAOYSA-N 1 0 298.224 3.532 50 0 CHAARO CC(C)c1ccc(COCC[C@H]2CCC[NH2+]C2)cc1 ZINC000048895426 567892897 /nfs/dbraw/zinc/89/28/97/567892897.db2.gz WJVNPDHPSXGTIF-OAHLLOKOSA-N 1 0 261.409 3.716 50 0 CHAARO Cc1ccsc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000055543683 567894587 /nfs/dbraw/zinc/89/45/87/567894587.db2.gz UELIRQBKTMIJPV-UHFFFAOYSA-N 1 0 290.407 3.518 50 0 CHAARO Clc1cccc(Cl)c1C[NH2+]CCOc1ccccn1 ZINC000057353326 567895034 /nfs/dbraw/zinc/89/50/34/567895034.db2.gz VZMHPLAGBWOAJV-UHFFFAOYSA-N 1 0 297.185 3.557 50 0 CHAARO Oc1ccc(CC[C@@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC000063844752 567897558 /nfs/dbraw/zinc/89/75/58/567897558.db2.gz VBUAZCBMWQKJKX-INIZCTEOSA-N 1 0 259.393 3.589 50 0 CHAARO CCc1cc([C@H]2CCCN2Cc2ccc(F)cc2)on1 ZINC000064667017 567897852 /nfs/dbraw/zinc/89/78/52/567897852.db2.gz UKLHGCXFUIMSQL-OAHLLOKOSA-N 1 0 274.339 3.713 50 0 CHAARO C/C=C(\C)c1c(-c2ccccc2)ncn1[C@@H]1CC[NH2+]C1 ZINC000065380276 567898538 /nfs/dbraw/zinc/89/85/38/567898538.db2.gz DHKPDMZXVPQYBR-JMFZVXOESA-N 1 0 267.376 3.508 50 0 CHAARO C[C@H](c1ccc(-c2cnc3ccccc3n2)cc1)[NH+](C)C ZINC000065406193 567899304 /nfs/dbraw/zinc/89/93/04/567899304.db2.gz JWUCVQIGGJUVOO-CYBMUJFWSA-N 1 0 277.371 3.919 50 0 CHAARO COC(C)(C)C[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000067712756 567900168 /nfs/dbraw/zinc/90/01/68/567900168.db2.gz LCHDYXNUZRONQV-JTQLQIEISA-N 1 0 295.814 3.510 50 0 CHAARO COc1ccc(-c2ccccc2CC[NH3+])cc1Cl ZINC000067641674 567900223 /nfs/dbraw/zinc/90/02/23/567900223.db2.gz SDROMWMHXZHJGK-UHFFFAOYSA-N 1 0 261.752 3.517 50 0 CHAARO c1cn(CC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000071753393 567901629 /nfs/dbraw/zinc/90/16/29/567901629.db2.gz XBTRVFPWCVSMGD-QGZVFWFLSA-N 1 0 295.430 3.673 50 0 CHAARO C[C@H](c1nccn1CCC1CC[NH+](C)CC1)c1ccccc1 ZINC000071765644 567901708 /nfs/dbraw/zinc/90/17/08/567901708.db2.gz IXABWTGHUYUHMF-INIZCTEOSA-N 1 0 297.446 3.767 50 0 CHAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(F)cc1 ZINC000097037036 567903193 /nfs/dbraw/zinc/90/31/93/567903193.db2.gz ISLLPFFAZGQQSP-KDOFPFPSSA-N 1 0 299.393 3.543 50 0 CHAARO Cc1cccc2[nH]c([C@@H]3CCCN(c4cc[nH+]cc4)C3)nc21 ZINC000077471555 567905556 /nfs/dbraw/zinc/90/55/56/567905556.db2.gz JLUHSTOHZCRICI-CQSZACIVSA-N 1 0 292.386 3.650 50 0 CHAARO Cc1coc(-c2cccc(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)n1 ZINC000097232189 567905807 /nfs/dbraw/zinc/90/58/07/567905807.db2.gz NWIFTSMLJPWXKM-RVSPLBMKSA-N 1 0 299.418 3.791 50 0 CHAARO CC[NH+](CC)CCSc1nc2ccccc2s1 ZINC000001586335 567906478 /nfs/dbraw/zinc/90/64/78/567906478.db2.gz OEPRMKCQSMXWSG-UHFFFAOYSA-N 1 0 266.435 3.730 50 0 CHAARO Cc1cc(C[NH+]2CCC3(CCOCC3)CC2)ccc1F ZINC000097492545 567910494 /nfs/dbraw/zinc/91/04/94/567910494.db2.gz PCKCKKZVKGXAAO-UHFFFAOYSA-N 1 0 277.383 3.527 50 0 CHAARO Cc1cc([C@H]2CCCC[N@@H+]2CCc2ccccc2)no1 ZINC000097307473 567910546 /nfs/dbraw/zinc/91/05/46/567910546.db2.gz ZKPOGZUCUBAJBR-QGZVFWFLSA-N 1 0 270.376 3.753 50 0 CHAARO COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000000293135 567926360 /nfs/dbraw/zinc/92/63/60/567926360.db2.gz DLMHBXXOSGOWSQ-UHFFFAOYSA-N 1 0 271.404 3.610 50 0 CHAARO C[NH+](C)CCC[C@@]1(O)CCCC[C@H]1Sc1ccccc1 ZINC000000346336 567926982 /nfs/dbraw/zinc/92/69/82/567926982.db2.gz PEKSNELRDZFZJS-SJORKVTESA-N 1 0 293.476 3.794 50 0 CHAARO c1sc(-c2ccccc2)nc1C[NH+]1CCCCC1 ZINC000014193512 567927288 /nfs/dbraw/zinc/92/72/88/567927288.db2.gz KLXJMPRRAFMAHF-UHFFFAOYSA-N 1 0 258.390 3.796 50 0 CHAARO c1cc(C2CCCCC2)cc2c3c4n(c12)CC[NH+]=C4NCC3 ZINC000100587713 567928264 /nfs/dbraw/zinc/92/82/64/567928264.db2.gz AYEWPLSGPARBDX-UHFFFAOYSA-N 1 0 293.414 3.595 50 0 CHAARO C[C@@H](Cc1ccnn1C)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000252511754 567930302 /nfs/dbraw/zinc/93/03/02/567930302.db2.gz KILBBCUGZDELIF-YJBOKZPZSA-N 1 0 289.467 3.643 50 0 CHAARO COc1cc(C[NH2+][C@H](C)c2cc3ccccc3o2)ccn1 ZINC000062057914 567931842 /nfs/dbraw/zinc/93/18/42/567931842.db2.gz ZOVVZYQUYJHNNE-GFCCVEGCSA-N 1 0 282.343 3.687 50 0 CHAARO Cc1cccc(OCCCC[NH2+]Cc2ccccc2)c1 ZINC000002822002 567937884 /nfs/dbraw/zinc/93/78/84/567937884.db2.gz NDGJWALAIPMMKH-UHFFFAOYSA-N 1 0 269.388 3.944 50 0 CHAARO CC(C)(C)[NH2+]CCCOc1cccc2ccccc21 ZINC000012381483 567940047 /nfs/dbraw/zinc/94/00/47/567940047.db2.gz YLLLSRKPFDXYFM-UHFFFAOYSA-N 1 0 257.377 3.997 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000103447865 567942663 /nfs/dbraw/zinc/94/26/63/567942663.db2.gz DZOKHJLSFKOOIC-IIYDPXPESA-N 1 0 274.408 3.559 50 0 CHAARO COc1ccc(CC[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000019871770 567944985 /nfs/dbraw/zinc/94/49/85/567944985.db2.gz VZRVWOJDQLZZAU-UHFFFAOYSA-N 1 0 293.769 3.820 50 0 CHAARO Cc1nnc(-c2ccc(C[NH+](C)C)cc2)c2ccccc12 ZINC000215858002 567947333 /nfs/dbraw/zinc/94/73/33/567947333.db2.gz WSEMTIZAKVFPOO-UHFFFAOYSA-N 1 0 277.371 3.667 50 0 CHAARO CC(=O)CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000000198542 567951524 /nfs/dbraw/zinc/95/15/24/567951524.db2.gz UUVNGPGLPIICOR-UHFFFAOYSA-N 1 0 267.372 3.668 50 0 CHAARO CCc1ccc(CC[NH2+][C@@H](C)c2ccnc(OC)c2)cc1 ZINC000225408601 567953297 /nfs/dbraw/zinc/95/32/97/567953297.db2.gz ZXKRIWGCVBTTFE-AWEZNQCLSA-N 1 0 284.403 3.546 50 0 CHAARO CC(C)[C@H](Cn1cccn1)[NH2+]CC(C)(C)Cc1ccccc1 ZINC000225409920 567953383 /nfs/dbraw/zinc/95/33/83/567953383.db2.gz PYNJDZAVPKXLDR-SFHVURJKSA-N 1 0 299.462 3.766 50 0 CHAARO CCOCC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225392507 567953441 /nfs/dbraw/zinc/95/34/41/567953441.db2.gz GOKKYRAEZJFWCY-UHFFFAOYSA-N 1 0 277.339 3.520 50 0 CHAARO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cncc(F)c1)CCC2 ZINC000225566356 567953961 /nfs/dbraw/zinc/95/39/61/567953961.db2.gz HOPZOCASTKEOQR-NOZJJQNGSA-N 1 0 291.395 3.714 50 0 CHAARO CC(C)c1ccc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000025718887 570231027 /nfs/dbraw/zinc/23/10/27/570231027.db2.gz YHUMFBGWMJDPOI-IBGZPJMESA-N 1 0 283.415 3.975 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+](C)[C@H](C)Cc1ccccn1 ZINC000065531745 570244349 /nfs/dbraw/zinc/24/43/49/570244349.db2.gz JYLLYGCUNMLEOS-ATGUSINASA-N 1 0 270.376 3.641 50 0 CHAARO C[C@@H](NC(=O)C1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000018048114 570282704 /nfs/dbraw/zinc/28/27/04/570282704.db2.gz VZHXCKFCTUSSNF-CQSZACIVSA-N 1 0 297.402 3.630 50 0 CHAARO C[C@H](c1cccs1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000048331692 570297428 /nfs/dbraw/zinc/29/74/28/570297428.db2.gz LLUPUXQFIFTIRL-GFCCVEGCSA-N 1 0 289.400 3.712 50 0 CHAARO CCn1cc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cn1 ZINC000112095646 570298367 /nfs/dbraw/zinc/29/83/67/570298367.db2.gz YMLYPGHHXVZQDB-LBPRGKRZSA-N 1 0 269.348 3.500 50 0 CHAARO c1nc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cs1 ZINC000215152550 570302421 /nfs/dbraw/zinc/30/24/21/570302421.db2.gz PNFLAYFBGYWSDM-CYBMUJFWSA-N 1 0 250.411 3.545 50 0 CHAARO CCOc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000215746825 570303840 /nfs/dbraw/zinc/30/38/40/570303840.db2.gz ZOKVIXRXNJZNOD-MRXNPFEDSA-N 1 0 286.350 3.566 50 0 CHAARO C[N@H+](Cc1cccc2cc[nH]c21)[C@H]1CCOC(C)(C)C1 ZINC000216469073 570305583 /nfs/dbraw/zinc/30/55/83/570305583.db2.gz JQVYUNQVHJGIBP-HNNXBMFYSA-N 1 0 272.392 3.557 50 0 CHAARO O=C(C[NH+]1CCCCCC1)Nc1cccc2ccccc21 ZINC000000804505 570309422 /nfs/dbraw/zinc/30/94/22/570309422.db2.gz CFGXLXFKDKDCSP-UHFFFAOYSA-N 1 0 282.387 3.654 50 0 CHAARO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2cccs2)o1 ZINC000221691613 570311466 /nfs/dbraw/zinc/31/14/66/570311466.db2.gz JHFUIFVJLHGYIY-KGYLQXTDSA-N 1 0 279.405 3.812 50 0 CHAARO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3nc(C)sc32)C1 ZINC000685939701 570318254 /nfs/dbraw/zinc/31/82/54/570318254.db2.gz ZORGCWCTMYEGRR-NQBHXWOUSA-N 1 0 282.478 3.703 50 0 CHAARO Cc1ccc(CCn2cc(C[NH+](C)C)c3ccccc32)cn1 ZINC000075567337 570355737 /nfs/dbraw/zinc/35/57/37/570355737.db2.gz CPRXWGYEIWDIDS-UHFFFAOYSA-N 1 0 293.414 3.649 50 0 CHAARO CCc1cnc(CN2CC=C(c3ccccc3)CC2)o1 ZINC000075622312 570356302 /nfs/dbraw/zinc/35/63/02/570356302.db2.gz QRRYESKJHXOOEN-UHFFFAOYSA-N 1 0 268.360 3.526 50 0 CHAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+]Cc1ccncc1 ZINC000036657740 570361560 /nfs/dbraw/zinc/36/15/60/570361560.db2.gz HSVPHNXITCFMSB-UHFFFAOYSA-N 1 0 299.805 3.857 50 0 CHAARO Fc1ccc(N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000000277434 570382920 /nfs/dbraw/zinc/38/29/20/570382920.db2.gz SPZXASWWKLJERY-UHFFFAOYSA-N 1 0 276.399 3.528 50 0 CHAARO Clc1ccsc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000194371042 570405342 /nfs/dbraw/zinc/40/53/42/570405342.db2.gz PXWYGYXZBMHYSL-UHFFFAOYSA-N 1 0 281.812 3.504 50 0 CHAARO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cncs2)c1 ZINC000093512811 570396176 /nfs/dbraw/zinc/39/61/76/570396176.db2.gz NLGKNFBIGLHPFB-MRXNPFEDSA-N 1 0 287.432 3.546 50 0 CHAARO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1c(C)noc1C ZINC000079073986 570396562 /nfs/dbraw/zinc/39/65/62/570396562.db2.gz KGKSYBMVFVJRBR-MRXNPFEDSA-N 1 0 299.418 3.522 50 0 CHAARO CCC(C)(C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000003440604 570399419 /nfs/dbraw/zinc/39/94/19/570399419.db2.gz VXULBDYYPLMIAI-UHFFFAOYSA-N 1 0 289.206 3.710 50 0 CHAARO c1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2nnc(C3CCC3)o2)cc1 ZINC000133552482 570400120 /nfs/dbraw/zinc/40/01/20/570400120.db2.gz WKFWNBHSASJUJF-CVEARBPZSA-N 1 0 297.402 3.763 50 0 CHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccccc1 ZINC000041166429 570403487 /nfs/dbraw/zinc/40/34/87/570403487.db2.gz FTZQTLPOPSIUGH-UHFFFAOYSA-N 1 0 291.398 3.779 50 0 CHAARO Cc1cc(C)c(C[NH2+][C@@H]2COc3ccccc32)cc1C ZINC000070070331 570403612 /nfs/dbraw/zinc/40/36/12/570403612.db2.gz OFCZZZMELOZOFC-QGZVFWFLSA-N 1 0 267.372 3.835 50 0 CHAARO CCOC(=O)[C@H](CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000080124922 1125722552 /nfs/dbraw/zinc/72/25/52/1125722552.db2.gz WKVJVVGZQUOUOY-QGZVFWFLSA-N 1 0 291.435 3.842 50 0 CHAARO Cc1c[nH+]ccc1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000191981077 1131233366 /nfs/dbraw/zinc/23/33/66/1131233366.db2.gz MGYRJHNIXSBXOU-UHFFFAOYSA-N 1 0 286.350 3.577 50 0 CHAARO Cc1cccc(OCCCC[NH+]2CCCCC2)c1C ZINC000002493426 1118570499 /nfs/dbraw/zinc/57/04/99/1118570499.db2.gz OWMKGWJUYMDHNT-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO C[NH+](C)CCCOc1cccc(Oc2ccccc2)c1 ZINC000002822236 1119042220 /nfs/dbraw/zinc/04/22/20/1119042220.db2.gz FIDJDLJDMDGGLA-UHFFFAOYSA-N 1 0 271.360 3.809 50 0 CHAARO c1ccc2c(c1)cccc2OCCOCC[NH+]1CCCCC1 ZINC000002896404 1119147508 /nfs/dbraw/zinc/14/75/08/1119147508.db2.gz ILROZMBBTHNSQS-UHFFFAOYSA-N 1 0 299.414 3.721 50 0 CHAARO COc1cccc(Oc2ncccc2C[NH2+][C@H](C)C2CC2)c1 ZINC000177367061 1119799650 /nfs/dbraw/zinc/79/96/50/1119799650.db2.gz ORJOLNKOJPDUAO-CYBMUJFWSA-N 1 0 298.386 3.771 50 0 CHAARO CC(C)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000011820907 1120469141 /nfs/dbraw/zinc/46/91/41/1120469141.db2.gz UVDVUBPHGQTVCJ-UHFFFAOYSA-N 1 0 278.302 3.650 50 0 CHAARO O=c1c(C[NH+]2CCCCCC2)coc2ccc(Cl)cc21 ZINC000004988728 1120938304 /nfs/dbraw/zinc/93/83/04/1120938304.db2.gz BZWCQUZVQHKTNF-UHFFFAOYSA-N 1 0 291.778 3.822 50 0 CHAARO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)Cc2ccccc2O1 ZINC000014994244 1121288851 /nfs/dbraw/zinc/28/88/51/1121288851.db2.gz QFVLWNNPSFVYHU-OJXHRBAXSA-N 1 0 279.383 3.983 50 0 CHAARO Cc1nc(CC[N@@H+]2CCCC[C@H]2c2ccccn2)cs1 ZINC000244594261 1121469349 /nfs/dbraw/zinc/46/93/49/1121469349.db2.gz DJKYABVHSLNYFF-INIZCTEOSA-N 1 0 287.432 3.616 50 0 CHAARO C[C@@H]([NH2+]C1CCN(Cc2ccco2)CC1)C1=CCCCC1 ZINC000820723357 1121908592 /nfs/dbraw/zinc/90/85/92/1121908592.db2.gz IOQCSPODDWIVPF-OAHLLOKOSA-N 1 0 288.435 3.723 50 0 CHAARO Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2C[NH+](C)C ZINC000031933046 1122882673 /nfs/dbraw/zinc/88/26/73/1122882673.db2.gz KVXXSSJYPAXEOZ-UHFFFAOYSA-N 1 0 283.350 3.510 50 0 CHAARO Cc1nnc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)s1 ZINC000065490238 1123855028 /nfs/dbraw/zinc/85/50/28/1123855028.db2.gz HNPCOQQUIDRFMK-LLVKDONJSA-N 1 0 273.405 3.670 50 0 CHAARO C[N@H+](C1CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000000227459 1129738138 /nfs/dbraw/zinc/73/81/38/1129738138.db2.gz FDMCTVBIIKAPAH-UHFFFAOYSA-N 1 0 286.463 3.916 50 0 CHAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000019788936 1129846198 /nfs/dbraw/zinc/84/61/98/1129846198.db2.gz CKKPAZQIXXQEFD-CQSZACIVSA-N 1 0 287.407 3.581 50 0 CHAARO Cc1ccc(OCCCCCC[NH+]2CCOCC2)c(C)c1 ZINC000019607280 1129846525 /nfs/dbraw/zinc/84/65/25/1129846525.db2.gz WRBGHWQRJKDVDA-UHFFFAOYSA-N 1 0 291.435 3.575 50 0 CHAARO CCC[NH+]1CCC(c2n[nH]cc2CCc2ccccc2)CC1 ZINC000200496187 1130107759 /nfs/dbraw/zinc/10/77/59/1130107759.db2.gz JUYPPITXFQIQOU-UHFFFAOYSA-N 1 0 297.446 3.784 50 0 CHAARO CC[C@@H](C)C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055369748 1130267500 /nfs/dbraw/zinc/26/75/00/1130267500.db2.gz CYJHGFCNUZLSOO-CQSZACIVSA-N 1 0 290.455 3.619 50 0 CHAARO C[C@H](c1cccnc1)[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000192638754 1131910123 /nfs/dbraw/zinc/91/01/23/1131910123.db2.gz WLAAFASTAUJKAT-OAHLLOKOSA-N 1 0 296.414 3.642 50 0 CHAARO C[C@@H](c1cccnc1)[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000192638743 1131910391 /nfs/dbraw/zinc/91/03/91/1131910391.db2.gz WLAAFASTAUJKAT-HNNXBMFYSA-N 1 0 296.414 3.642 50 0 CHAARO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(Cl)s1 ZINC000037156076 1132005889 /nfs/dbraw/zinc/00/58/89/1132005889.db2.gz IMUDOTGJWJGXFC-GFCCVEGCSA-N 1 0 297.855 3.803 50 0 CHAARO Fc1ccc2cc(C[NH2+]C[C@@H]3COc4ccccc43)[nH]c2c1 ZINC000952845828 1132015916 /nfs/dbraw/zinc/01/59/16/1132015916.db2.gz APMGEWVJPHHMGC-CYBMUJFWSA-N 1 0 296.345 3.573 50 0 CHAARO COc1ncccc1C[NH2+][C@@H](CC(C)(C)C)c1cccnc1 ZINC000952971095 1132016803 /nfs/dbraw/zinc/01/68/03/1132016803.db2.gz QZJPNRBXYXBQDF-INIZCTEOSA-N 1 0 299.418 3.752 50 0 CHAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc2cccc(F)c2n1 ZINC000952974839 1132017881 /nfs/dbraw/zinc/01/78/81/1132017881.db2.gz NNEHYZDSTHSTSB-ZDUSSCGKSA-N 1 0 295.361 3.962 50 0 CHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCC2=CCCCC2)o1 ZINC000037216849 1132024001 /nfs/dbraw/zinc/02/40/01/1132024001.db2.gz DICDFZZOTXIRJK-UHFFFAOYSA-N 1 0 285.391 3.958 50 0 CHAARO C[C@H](c1ccc(-c2cnc3scnc3c2)cc1)[NH+](C)C ZINC000426634354 230425387 /nfs/dbraw/zinc/42/53/87/230425387.db2.gz WAOYEWZOFFJZJH-LLVKDONJSA-N 1 0 283.400 3.981 50 0 CHAARO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1C ZINC000095968482 185046511 /nfs/dbraw/zinc/04/65/11/185046511.db2.gz PBCFQAYEUNFVCA-CABCVRRESA-N 1 0 271.408 3.757 50 0 CHAARO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1cnn(C)c1)C1CC1 ZINC000095967942 185046909 /nfs/dbraw/zinc/04/69/09/185046909.db2.gz BMLPANRPPYCKIC-DYVFJYSZSA-N 1 0 269.392 3.530 50 0 CHAARO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000095968956 185047809 /nfs/dbraw/zinc/04/78/09/185047809.db2.gz NYDHJPKWLPNRSI-LSDHHAIUSA-N 1 0 286.419 3.837 50 0 CHAARO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCc1ccccn1 ZINC000096009129 185064019 /nfs/dbraw/zinc/06/40/19/185064019.db2.gz FTXAAYUKEPUHMN-MSOLQXFVSA-N 1 0 280.415 3.796 50 0 CHAARO C1CCCC(c2noc([C@H]3CCCCC[NH2+]3)n2)CC1 ZINC000083255157 178370649 /nfs/dbraw/zinc/37/06/49/178370649.db2.gz SIFOPMPDQCHBDI-CYBMUJFWSA-N 1 0 263.385 3.712 50 0 CHAARO CCc1cc(OCC[NH2+]C2CCCC2)ccc1Cl ZINC000002845041 529568984 /nfs/dbraw/zinc/56/89/84/529568984.db2.gz UOMUUOGJTPRTHV-UHFFFAOYSA-N 1 0 267.800 3.813 50 0 CHAARO CC[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccncc1 ZINC000096478354 529672892 /nfs/dbraw/zinc/67/28/92/529672892.db2.gz SUYUUTMRVMSOHG-IRXDYDNUSA-N 1 0 270.351 3.949 50 0 CHAARO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2)C12CCCC2 ZINC000085679962 179113341 /nfs/dbraw/zinc/11/33/41/179113341.db2.gz OBCFGXJHXMMKAL-IRXDYDNUSA-N 1 0 289.419 3.523 50 0 CHAARO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccsc1 ZINC000090765014 180036928 /nfs/dbraw/zinc/03/69/28/180036928.db2.gz VBQAEYZCXGLQCS-VHSXEESVSA-N 1 0 264.394 3.807 50 0 CHAARO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H]([NH3+])CC(C)(C)O2 ZINC000091690748 180227390 /nfs/dbraw/zinc/22/73/90/180227390.db2.gz ZEPDWGAJKLOGKJ-GFCCVEGCSA-N 1 0 292.379 3.595 50 0 CHAARO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H]([NH3+])CC(C)(C)O2 ZINC000091690747 180227720 /nfs/dbraw/zinc/22/77/20/180227720.db2.gz ZEPDWGAJKLOGKJ-LBPRGKRZSA-N 1 0 292.379 3.595 50 0 CHAARO CC[NH+](CC)[C@H](C)c1ccc(Br)cc1 ZINC000110363858 186293633 /nfs/dbraw/zinc/29/36/33/186293633.db2.gz HVRBOYHBUNISEY-SNVBAGLBSA-N 1 0 256.187 3.852 50 0 CHAARO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156734674 188278730 /nfs/dbraw/zinc/27/87/30/188278730.db2.gz VXUMTZZIXVSAGS-AWEZNQCLSA-N 1 0 290.451 3.609 50 0 CHAARO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 ZINC000299784899 200873261 /nfs/dbraw/zinc/87/32/61/200873261.db2.gz NCKZPALTUXLPME-CQSZACIVSA-N 1 0 298.773 3.751 50 0 CHAARO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)c1 ZINC000183106070 189346948 /nfs/dbraw/zinc/34/69/48/189346948.db2.gz RLYNKEQUNZVVJA-OAHLLOKOSA-N 1 0 269.388 3.647 50 0 CHAARO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000195548992 189678342 /nfs/dbraw/zinc/67/83/42/189678342.db2.gz AALXTSRXEOVSJP-YDHLFZDLSA-N 1 0 297.489 3.762 50 0 CHAARO CCCC[NH2+]Cc1c(Cl)cccc1Br ZINC000261493506 190039451 /nfs/dbraw/zinc/03/94/51/190039451.db2.gz CLHRWJALACPUFL-UHFFFAOYSA-N 1 0 276.605 3.992 50 0 CHAARO C[NH+]1[C@H](c2ccccc2)CC(C)(O)C[C@H]1c1ccccc1 ZINC000000208438 169575110 /nfs/dbraw/zinc/57/51/10/169575110.db2.gz YKVNCLSIBPRPTL-ROUUACIJSA-N 1 0 281.399 3.946 50 0 CHAARO c1ccc2sc(SCCC3CC[NH2+]CC3)nc2c1 ZINC000095908642 256881934 /nfs/dbraw/zinc/88/19/34/256881934.db2.gz FCPZTQZAOBANIF-UHFFFAOYSA-N 1 0 278.446 3.778 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+]CCCF)o1 ZINC000225484179 262372894 /nfs/dbraw/zinc/37/28/94/262372894.db2.gz ARQNBFPWYVOXBV-UHFFFAOYSA-N 1 0 265.303 3.843 50 0 CHAARO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)CCc1ccccc1)CCC2 ZINC000095402204 184968227 /nfs/dbraw/zinc/96/82/27/184968227.db2.gz VOGUPXQIKUDKHM-YJBOKZPZSA-N 1 0 297.446 3.680 50 0 CHAARO CCc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1 ZINC000002388700 169790355 /nfs/dbraw/zinc/79/03/55/169790355.db2.gz SBRWLRMONWSNHS-UHFFFAOYSA-N 1 0 269.388 3.590 50 0 CHAARO Brc1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000002494251 169795138 /nfs/dbraw/zinc/79/51/38/169795138.db2.gz KLNCBGGXQDSBJF-UHFFFAOYSA-N 1 0 298.224 3.704 50 0 CHAARO Clc1cccc(OCCCC[NH+]2CCCC2)c1 ZINC000002497259 169795609 /nfs/dbraw/zinc/79/56/09/169795609.db2.gz AYXKIPILEYYCCV-UHFFFAOYSA-N 1 0 253.773 3.595 50 0 CHAARO [NH3+]CCCCc1c2ccccc2[nH]c1-c1ccccn1 ZINC000003690202 169908049 /nfs/dbraw/zinc/90/80/49/169908049.db2.gz ARKKMQBKAYOBNA-UHFFFAOYSA-N 1 0 265.360 3.511 50 0 CHAARO COc1cc(NC(=O)c2ccccc2)c(C)cc1[N+]#N ZINC000003861467 169917751 /nfs/dbraw/zinc/91/77/51/169917751.db2.gz NWJZRZVLSHYKLM-UHFFFAOYSA-O 1 0 268.296 3.741 50 0 CHAARO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)CC[C@]1(O)c1ccccc1 ZINC000004011747 169929915 /nfs/dbraw/zinc/92/99/15/169929915.db2.gz MIQQNFDIJGZCGD-AYOQOUSVSA-N 1 0 281.399 3.587 50 0 CHAARO COCC[NH2+]Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004700356 170001581 /nfs/dbraw/zinc/00/15/81/170001581.db2.gz YBBBSKSSSDWBFS-UHFFFAOYSA-N 1 0 293.451 3.723 50 0 CHAARO CC(=O)c1ccccc1OCCCC[N@H+]1CCC[C@H](C)C1 ZINC000004842953 170029052 /nfs/dbraw/zinc/02/90/52/170029052.db2.gz AVKLNQVDROXZTN-HNNXBMFYSA-N 1 0 289.419 3.780 50 0 CHAARO Cc1sc(NC(=O)c2ccccc2)c(C[NH+](C)C)c1C ZINC000004866184 170032746 /nfs/dbraw/zinc/03/27/46/170032746.db2.gz QPOYSNKDKSRNOC-UHFFFAOYSA-N 1 0 288.416 3.679 50 0 CHAARO c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004891863 170036860 /nfs/dbraw/zinc/03/68/60/170036860.db2.gz UZGDMLFZPIJWMB-INIZCTEOSA-N 1 0 281.355 3.583 50 0 CHAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942964 170043719 /nfs/dbraw/zinc/04/37/19/170043719.db2.gz JSFOSCJNABWKJM-NSHDSACASA-N 1 0 297.757 3.600 50 0 CHAARO CC(C)(C)Nc1nc(NC(C)(C)C)[nH+]c(NC(C)(C)C)n1 ZINC000004947387 170043970 /nfs/dbraw/zinc/04/39/70/170043970.db2.gz XYKRYUFUYDCUFM-UHFFFAOYSA-N 1 0 294.447 3.503 50 0 CHAARO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000004989425 170050033 /nfs/dbraw/zinc/05/00/33/170050033.db2.gz DDTFZLQLMMIXHG-VQIMIIECSA-N 1 0 286.463 3.819 50 0 CHAARO C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000004989537 170050057 /nfs/dbraw/zinc/05/00/57/170050057.db2.gz RBOBTSNPUDJFPQ-QFBILLFUSA-N 1 0 286.463 3.819 50 0 CHAARO C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000004989536 170050130 /nfs/dbraw/zinc/05/01/30/170050130.db2.gz RBOBTSNPUDJFPQ-VQIMIIECSA-N 1 0 286.463 3.819 50 0 CHAARO Brc1cccc(C[NH+]2CCCCCC2)c1 ZINC000004990262 170050403 /nfs/dbraw/zinc/05/04/03/170050403.db2.gz ZISKEZUFLBKFEK-UHFFFAOYSA-N 1 0 268.198 3.825 50 0 CHAARO CC[NH+](CC)CCOc1c(C)cc(Cl)cc1C ZINC000005004107 170053833 /nfs/dbraw/zinc/05/38/33/170053833.db2.gz LJOBMTSTDYHGSY-UHFFFAOYSA-N 1 0 255.789 3.677 50 0 CHAARO COc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000005013504 170055387 /nfs/dbraw/zinc/05/53/87/170055387.db2.gz CJZJFYUPSOMPHQ-IIDMSEBBSA-N 1 0 291.435 3.878 50 0 CHAARO Cc1ccc2c(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc(=O)oc2c1 ZINC000005163218 170072505 /nfs/dbraw/zinc/07/25/05/170072505.db2.gz GYQYYSLJMFFRTC-KBPBESRZSA-N 1 0 285.387 3.579 50 0 biogenic CHAARO Cc1ccc2[nH]cc(C(=O)C[N@H+]3CCCC[C@@H]3C)c2c1 ZINC000005477753 170103104 /nfs/dbraw/zinc/10/31/04/170103104.db2.gz KTHKMDBWAFJPFK-ZDUSSCGKSA-N 1 0 270.376 3.533 50 0 CHAARO C[n+]1c(/C=C/c2ccccc2)sc2ccccc21 ZINC000005677328 170127245 /nfs/dbraw/zinc/12/72/45/170127245.db2.gz KJCPOALBXTXZKU-VAWYXSNFSA-N 1 0 252.362 3.896 50 0 CHAARO C[C@H]1CCC[C@H](C)[NH+]1Cc1cn2ccc(Cl)cc2n1 ZINC000006383301 170196869 /nfs/dbraw/zinc/19/68/69/170196869.db2.gz RVOOYRHXMVJKKP-RYUDHWBXSA-N 1 0 277.799 3.751 50 0 CHAARO C[N@H+](CCc1ccccn1)Cc1ccc2ccccc2c1 ZINC000006660638 170223373 /nfs/dbraw/zinc/22/33/73/170223373.db2.gz FCPVGRSNGLLYGG-UHFFFAOYSA-N 1 0 276.383 3.909 50 0 CHAARO CCOc1c(C[NH2+][C@@H](C)c2ccccc2)cccc1OC ZINC000006702283 170229670 /nfs/dbraw/zinc/22/96/70/170229670.db2.gz YSBIBYJLXUSZPO-AWEZNQCLSA-N 1 0 285.387 3.945 50 0 CHAARO Cn1cc(/C=C/c2cc[n+](C)cc2)c2cc(Cl)ccc21 ZINC000006719272 170231920 /nfs/dbraw/zinc/23/19/20/170231920.db2.gz HQWXUJUGUGALEC-UHFFFAOYSA-N 1 0 283.782 3.827 50 0 CHAARO CC[NH2+]CCOc1cc(C)c(Cl)c(C)c1Cl ZINC000006728536 170233636 /nfs/dbraw/zinc/23/36/36/170233636.db2.gz QCCUCLZYOFYMNQ-UHFFFAOYSA-N 1 0 262.180 3.599 50 0 CHAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000006730761 170235023 /nfs/dbraw/zinc/23/50/23/170235023.db2.gz JYCLAIHWADDGSC-GJZGRUSLSA-N 1 0 296.414 3.756 50 0 CHAARO COc1cccc(C[NH2+]C2CC2)c1OCc1ccc(C)cc1 ZINC000006746740 170239523 /nfs/dbraw/zinc/23/95/23/170239523.db2.gz XPMYYBSODJWZTO-UHFFFAOYSA-N 1 0 297.398 3.835 50 0 CHAARO CCOCCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000007524309 170288933 /nfs/dbraw/zinc/28/89/33/170288933.db2.gz GBJOEURCTUGEBT-UHFFFAOYSA-N 1 0 277.339 3.602 50 0 CHAARO Cc1[nH]c2ccccc2c(=O)c1C[N@H+]1CCCC[C@@H]1C ZINC000008700824 170346650 /nfs/dbraw/zinc/34/66/50/170346650.db2.gz JJXANMHQTDJDOF-LBPRGKRZSA-N 1 0 270.376 3.623 50 0 CHAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[NH+]1CCCCC1)c2=O ZINC000008717413 170349206 /nfs/dbraw/zinc/34/92/06/170349206.db2.gz RNPAVVLTGUCHMV-UHFFFAOYSA-N 1 0 284.403 3.852 50 0 CHAARO COc1cccc2cc([C@@H](C)[NH2+]Cc3cccnc3)oc21 ZINC000020141443 171027879 /nfs/dbraw/zinc/02/78/79/171027879.db2.gz RGKJDKWWIUBNAK-GFCCVEGCSA-N 1 0 282.343 3.687 50 0 CHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000020187663 171052883 /nfs/dbraw/zinc/05/28/83/171052883.db2.gz GGRQPYCMIUYYIG-LBPRGKRZSA-N 1 0 288.416 3.866 50 0 CHAARO Fc1ccccc1CC1CC[NH+](Cc2ccccn2)CC1 ZINC000020204927 171070679 /nfs/dbraw/zinc/07/06/79/171070679.db2.gz CEULXQISIMMGTL-UHFFFAOYSA-N 1 0 284.378 3.675 50 0 CHAARO Cc1cc(OCC[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000020221530 171082839 /nfs/dbraw/zinc/08/28/39/171082839.db2.gz BEKPEIQZFXKLLZ-GFCCVEGCSA-N 1 0 253.773 3.559 50 0 CHAARO Cc1ccc(OC[C@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000020221666 171083166 /nfs/dbraw/zinc/08/31/66/171083166.db2.gz STYRGOFVRJNGPF-AWEZNQCLSA-N 1 0 261.409 3.671 50 0 CHAARO C[C@@H]1[NH2+]Cc2c3c(sc2-n2cccc21)CCCC3 ZINC000020865006 171276754 /nfs/dbraw/zinc/27/67/54/171276754.db2.gz RNXJMUHDATVILC-JTQLQIEISA-N 1 0 258.390 3.582 50 0 CHAARO OCC[C@H]1CCCC[N@@H+]1CCCc1ccccc1Cl ZINC000020909426 171279291 /nfs/dbraw/zinc/27/92/91/171279291.db2.gz WUFVVBDJZVHKLF-OAHLLOKOSA-N 1 0 281.827 3.510 50 0 CHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC(C)C ZINC000035161764 172021419 /nfs/dbraw/zinc/02/14/19/172021419.db2.gz RNRDSGUPVDEQMF-UHFFFAOYSA-N 1 0 271.408 3.625 50 0 CHAARO CCN(CC)c1ncc(C[NH2+]CCCC(C)C)s1 ZINC000038054734 174066375 /nfs/dbraw/zinc/06/63/75/174066375.db2.gz OTAUSRANVFIXLK-UHFFFAOYSA-N 1 0 269.458 3.515 50 0 CHAARO C[NH2+]Cc1cc(-c2ccc(OC)c(Cl)c2)ccc1OC ZINC000038073311 174083216 /nfs/dbraw/zinc/08/32/16/174083216.db2.gz GXMNQZUHFHXBEO-UHFFFAOYSA-N 1 0 291.778 3.744 50 0 CHAARO CC(C)CCN(CCC(C)C)C[C@@H]1CCCCC[NH2+]1 ZINC000039706271 174171424 /nfs/dbraw/zinc/17/14/24/174171424.db2.gz FHUGWLMGVKKUOL-KRWDZBQOSA-N 1 0 268.489 3.913 50 0 CHAARO Cc1cc(C)c(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770729 174870923 /nfs/dbraw/zinc/87/09/23/174870923.db2.gz FYJQSKLCMUVITR-ZDUSSCGKSA-N 1 0 267.800 3.868 50 0 CHAARO CC[C@@H](C)c1cc(Cl)ccc1OC1CC[NH2+]CC1 ZINC000042775400 174873446 /nfs/dbraw/zinc/87/34/46/174873446.db2.gz MYDTWMRCPBYNCF-LLVKDONJSA-N 1 0 267.800 3.984 50 0 CHAARO CC[C@H](C)c1cc(Cl)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042775385 174873616 /nfs/dbraw/zinc/87/36/16/174873616.db2.gz GHPIVTYDLTZREQ-WCQYABFASA-N 1 0 267.800 3.984 50 0 CHAARO CCc1nc(C)sc1C[NH2+][C@H](C)Cc1ccccc1F ZINC000065370868 175722860 /nfs/dbraw/zinc/72/28/60/175722860.db2.gz HZWUYAIFTFSJHU-LLVKDONJSA-N 1 0 292.423 3.874 50 0 CHAARO CC[N@@H+](Cc1cccc(Cl)c1)CC1CCOCC1 ZINC000065374713 175724147 /nfs/dbraw/zinc/72/41/47/175724147.db2.gz WFVOSHBMZHRFTQ-UHFFFAOYSA-N 1 0 267.800 3.589 50 0 CHAARO C[C@@H]([NH2+]C1CCCC1)c1nc2c(s1)CCCC2 ZINC000065525995 175746828 /nfs/dbraw/zinc/74/68/28/175746828.db2.gz BOAWKNGSUGKAPE-SNVBAGLBSA-N 1 0 250.411 3.615 50 0 CHAARO COc1ccc2ncc(-c3cccc4c3CC[NH2+]C4)cc2c1 ZINC000071681243 176245502 /nfs/dbraw/zinc/24/55/02/176245502.db2.gz LJPVWKGXRGSDPV-UHFFFAOYSA-N 1 0 290.366 3.556 50 0 CHAARO Fc1ccc([C@H]([NH2+]Cc2ccncc2)C2CCC2)cc1 ZINC000071857540 176279072 /nfs/dbraw/zinc/27/90/72/176279072.db2.gz QNOBOAKCPQYWBN-QGZVFWFLSA-N 1 0 270.351 3.852 50 0 CHAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000072156237 176328943 /nfs/dbraw/zinc/32/89/43/176328943.db2.gz CAKGDXXJHNIWSX-GFCCVEGCSA-N 1 0 295.839 3.662 50 0 CHAARO C[NH+](C)CC[C@@H](c1ccccc1)n1ccnc1-c1ccco1 ZINC000077304003 177250627 /nfs/dbraw/zinc/25/06/27/177250627.db2.gz IWSMCSFQJUGWDI-INIZCTEOSA-N 1 0 295.386 3.684 50 0 CHAARO C[N@@H+](Cc1cccs1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000077323127 177252479 /nfs/dbraw/zinc/25/24/79/177252479.db2.gz XHHYFCMWBQYGJP-HNNXBMFYSA-N 1 0 286.444 3.706 50 0 CHAARO COCCC[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000077340215 177253869 /nfs/dbraw/zinc/25/38/69/177253869.db2.gz MIRILDZAJUYKBG-HNNXBMFYSA-N 1 0 286.419 3.807 50 0 CHAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000078739009 177379744 /nfs/dbraw/zinc/37/97/44/177379744.db2.gz SEIJXLZAUXTPIB-CVEARBPZSA-N 1 0 296.414 3.797 50 0 CHAARO Clc1ccccc1C1([NH2+]C2CSCCSC2)CC1 ZINC000534639433 328335476 /nfs/dbraw/zinc/33/54/76/328335476.db2.gz QDJNGUQOEYVUJJ-UHFFFAOYSA-N 1 0 299.892 3.767 50 0 CHAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc(C)n1 ZINC000534647314 328342682 /nfs/dbraw/zinc/34/26/82/328342682.db2.gz PACSFKWHBNQFQN-MRXNPFEDSA-N 1 0 296.414 3.759 50 0 CHAARO Cc1nccn1CC[C@H](C)[NH2+]C1(c2cccc(C)c2)CC1 ZINC000534666110 328345293 /nfs/dbraw/zinc/34/52/93/328345293.db2.gz NAURZYWVCNXMMK-HNNXBMFYSA-N 1 0 283.419 3.557 50 0 CHAARO Cc1cc(C)c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000007811704 326822165 /nfs/dbraw/zinc/82/21/65/326822165.db2.gz QJJDAZBOTWSGLG-KBPBESRZSA-N 1 0 288.435 3.528 50 0 CHAARO C[C@H]([NH2+]Cc1cnc2n1CCCC2)C(C)(C)c1ccccc1 ZINC000375268324 329002388 /nfs/dbraw/zinc/00/23/88/329002388.db2.gz MVWCAOWBYVGKNQ-HNNXBMFYSA-N 1 0 297.446 3.675 50 0 CHAARO c1csc(C[NH2+][C@@H]2CCCCc3ccccc32)n1 ZINC000041011576 329560498 /nfs/dbraw/zinc/56/04/98/329560498.db2.gz UECRVJPVNUDVAN-CQSZACIVSA-N 1 0 258.390 3.700 50 0 CHAARO Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H]3C)on2)cc1 ZINC000076115183 334073218 /nfs/dbraw/zinc/07/32/18/334073218.db2.gz AJXHCLZBFQZLFZ-ZDUSSCGKSA-N 1 0 256.349 3.634 50 0 CHAARO Clc1cccc([C@@H]2CC[N@H+](Cc3cncs3)C2)c1 ZINC000552316868 334316054 /nfs/dbraw/zinc/31/60/54/334316054.db2.gz QDIABWZTWPNLHA-GFCCVEGCSA-N 1 0 278.808 3.786 50 0 CHAARO c1cc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)co1 ZINC000176634347 335314590 /nfs/dbraw/zinc/31/45/90/335314590.db2.gz IAYRRHGBMCQLMN-HNNXBMFYSA-N 1 0 269.344 3.816 50 0 CHAARO Cc1ccc(-c2cn3c([n+]2-c2ccccc2)CCC3)cc1 ZINC000015952629 518188136 /nfs/dbraw/zinc/18/81/36/518188136.db2.gz QPAUSEFRWOAHNY-UHFFFAOYSA-N 1 0 275.375 3.686 50 0 CHAARO CCC[N@@H+](Cc1ccc(OC)c(OCC)c1)CC1CC1 ZINC000016663081 521684090 /nfs/dbraw/zinc/68/40/90/521684090.db2.gz PYLPUJOAUWFHDM-UHFFFAOYSA-N 1 0 277.408 3.716 50 0 CHAARO C/C=C/c1ccc(OCC[NH2+]C2CCCC2)c(OC)c1 ZINC000002845167 526308842 /nfs/dbraw/zinc/30/88/42/526308842.db2.gz YEXPPGDEJSDQLE-ZZXKWVIFSA-N 1 0 275.392 3.639 50 0 CHAARO c1ccc2oc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000052660917 526520497 /nfs/dbraw/zinc/52/04/97/526520497.db2.gz KSVLOICKWMICNZ-ZFWWWQNUSA-N 1 0 270.376 3.982 50 0 CHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000065394995 567898851 /nfs/dbraw/zinc/89/88/51/567898851.db2.gz CMZNZTFPNDDBFG-CYBMUJFWSA-N 1 0 262.378 3.690 50 0 CHAARO C[NH2+][C@H](c1ccccc1)[C@H]1c2cccc3cccc(c23)[C@@H]1O ZINC000000977130 566835473 /nfs/dbraw/zinc/83/54/73/566835473.db2.gz SLVDRYPCLUHEDO-AQNXPRMDSA-N 1 0 289.378 3.931 50 0 CHAARO C[C@@H]([NH2+]C1(CO)CCC1)c1ccc(SC(F)F)cc1 ZINC000182428882 566840265 /nfs/dbraw/zinc/84/02/65/566840265.db2.gz YWFGQAINVWPKHP-SNVBAGLBSA-N 1 0 287.375 3.567 50 0 CHAARO C[C@@H]([NH2+]CCc1ccccc1)c1ccccc1-n1cccn1 ZINC000084660909 566885556 /nfs/dbraw/zinc/88/55/56/566885556.db2.gz OSIRJAVGPDFTAE-MRXNPFEDSA-N 1 0 291.398 3.766 50 0 CHAARO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)C12CCCCC2 ZINC000075092250 566935057 /nfs/dbraw/zinc/93/50/57/566935057.db2.gz IIRGZAREOFZPFD-DLBZAZTESA-N 1 0 289.419 3.610 50 0 CHAARO O[C@@H](C[NH2+]CC1CCCCCC1)c1ccc(F)c(F)c1 ZINC000075093144 566935484 /nfs/dbraw/zinc/93/54/84/566935484.db2.gz VSGZFULAXLKOJC-INIZCTEOSA-N 1 0 283.362 3.558 50 0 CHAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C[C@@H]3CC=CCC3)CC2)C1 ZINC000224087184 566950597 /nfs/dbraw/zinc/95/05/97/566950597.db2.gz PRIBEPJSCZVEBS-KURKYZTESA-N 1 0 276.468 3.539 50 0 CHAARO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)[nH]n1 ZINC000090532040 566953091 /nfs/dbraw/zinc/95/30/91/566953091.db2.gz KEFRMYALNWOVLA-DGCLKSJQSA-N 1 0 283.375 3.746 50 0 CHAARO CCCC[N@@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002019930 566976705 /nfs/dbraw/zinc/97/67/05/566976705.db2.gz VEPZOLKTNZOTTQ-INIZCTEOSA-N 1 0 288.435 3.815 50 0 in-man CHAARO C[C@H](c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[NH+]1CCCCC1 ZINC000426428866 566987744 /nfs/dbraw/zinc/98/77/44/566987744.db2.gz HKDPLSMJOAZXJQ-CYBMUJFWSA-N 1 0 296.418 3.896 50 0 CHAARO Cc1cc(C[NH+]2CCCC2)cc(-c2ccncc2F)c1 ZINC000426556053 566987821 /nfs/dbraw/zinc/98/78/21/566987821.db2.gz VFCSHSTUUJLOSH-UHFFFAOYSA-N 1 0 270.351 3.792 50 0 CHAARO Cc1cccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036098727 566994618 /nfs/dbraw/zinc/99/46/18/566994618.db2.gz ZBHKCDBGXQAGQY-FQEVSTJZSA-N 1 0 297.442 3.809 50 0 CHAARO CCC[N@@H+](Cc1ccccc1C)C[C@@H](O)Cc1ccccc1 ZINC000036099962 566994927 /nfs/dbraw/zinc/99/49/27/566994927.db2.gz AWPOKEZGFYWKOM-FQEVSTJZSA-N 1 0 297.442 3.811 50 0 CHAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COC(C)(C)C ZINC000169677990 566996688 /nfs/dbraw/zinc/99/66/88/566996688.db2.gz YOFBTXGSANEOPO-DZGCQCFKSA-N 1 0 299.480 3.525 50 0 CHAARO c1ccc([C@H]([NH2+]Cc2cccc3c2OCO3)C2CC2)cc1 ZINC000036325160 566997465 /nfs/dbraw/zinc/99/74/65/566997465.db2.gz URZHZOFVFYUBGW-KRWDZBQOSA-N 1 0 281.355 3.656 50 0 CHAARO Cc1ncn(C[C@@H](C)[NH2+]C2(c3ccccc3)CCC2)c1C ZINC000170067278 567006444 /nfs/dbraw/zinc/00/64/44/567006444.db2.gz FIXNBFCQYNWWRX-CQSZACIVSA-N 1 0 283.419 3.557 50 0 CHAARO c1ccc(CN2CCC[C@H]([NH2+]C3CCCCCC3)C2)cc1 ZINC000036904544 567007679 /nfs/dbraw/zinc/00/76/79/567007679.db2.gz DBGGASDASAGILN-IBGZPJMESA-N 1 0 286.463 3.963 50 0 CHAARO O=C(C[NH2+]C1CCCCCC1)Nc1ccc(Cl)cc1 ZINC000036962636 567009737 /nfs/dbraw/zinc/00/97/37/567009737.db2.gz YNCDIYVULAUPPH-UHFFFAOYSA-N 1 0 280.799 3.591 50 0 CHAARO Cc1noc(C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)n1 ZINC000065541136 567009530 /nfs/dbraw/zinc/00/95/30/567009530.db2.gz KVEVTQLHKVUENV-QGZVFWFLSA-N 1 0 297.402 3.635 50 0 CHAARO C[C@@H](CC[N@@H+]1CCC[C@H](c2cn[nH]c2)C1)c1ccccc1 ZINC000170607044 567013600 /nfs/dbraw/zinc/01/36/00/567013600.db2.gz SSIIDAABHMNGBG-RDJZCZTQSA-N 1 0 283.419 3.783 50 0 CHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000076093251 567029095 /nfs/dbraw/zinc/02/90/95/567029095.db2.gz DVFKFQVQRKBJBX-GOSISDBHSA-N 1 0 298.405 3.532 50 0 CHAARO Cc1ccc([C@@H](O)C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000076082208 567030996 /nfs/dbraw/zinc/03/09/96/567030996.db2.gz AEOIERRZSZMVIE-APWZRJJASA-N 1 0 283.415 3.639 50 0 CHAARO CCOc1ccc(OCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000002825073 567037278 /nfs/dbraw/zinc/03/72/78/567037278.db2.gz CBACYGAANQKZQR-IYBDPMFKSA-N 1 0 291.435 3.832 50 0 CHAARO Cc1c([C@@H]2[C@@H](CC[NH3+])C2(C)C)c2ccccc2n1C ZINC000002111439 567046355 /nfs/dbraw/zinc/04/63/55/567046355.db2.gz CSWYSAZUCZBEDB-CJNGLKHVSA-N 1 0 256.393 3.575 50 0 biogenic CHAARO CCSc1ccc([C@H](C)[NH2+]Cc2ccnc(N)c2)cc1 ZINC000193500935 567059541 /nfs/dbraw/zinc/05/95/41/567059541.db2.gz SGIIZQILTIRDGC-LBPRGKRZSA-N 1 0 287.432 3.627 50 0 CHAARO CCC[C@H](C[N@@H+]1CCC[C@@H]([C@H](C)O)C1)c1ccccc1 ZINC000252511364 567059683 /nfs/dbraw/zinc/05/96/83/567059683.db2.gz FXTDLOQKWDLYFF-CGTJXYLNSA-N 1 0 275.436 3.663 50 0 CHAARO CC1=C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(F)cc2)N1O ZINC000033396770 567088607 /nfs/dbraw/zinc/08/86/07/567088607.db2.gz IJMLLBTXHQHZMQ-QGZVFWFLSA-N 1 0 299.325 3.871 50 0 CHAARO CC[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000253424811 567097825 /nfs/dbraw/zinc/09/78/25/567097825.db2.gz KYAICWIVWVWVMJ-SAGYGOJTSA-N 1 0 273.420 3.654 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000019871873 567123714 /nfs/dbraw/zinc/12/37/14/567123714.db2.gz IIIZQVIHVSROJK-MLGOLLRUSA-N 1 0 275.779 3.552 50 0 CHAARO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)cn1 ZINC000095421942 567132500 /nfs/dbraw/zinc/13/25/00/567132500.db2.gz QMPXRMXNGQRQTC-LRDDRELGSA-N 1 0 285.391 3.508 50 0 CHAARO C[C@H]1C[NH+](Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC000095430490 567133026 /nfs/dbraw/zinc/13/30/26/567133026.db2.gz UNIBBCRFNILCPB-RYUDHWBXSA-N 1 0 261.390 3.511 50 0 CHAARO Fc1cccc(OC(F)F)c1C[NH2+]CC1CCCC1 ZINC000095455360 567133168 /nfs/dbraw/zinc/13/31/68/567133168.db2.gz GZVUHMHXFCPQRP-UHFFFAOYSA-N 1 0 273.298 3.707 50 0 CHAARO CC[C@H](c1ccc(F)cc1)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000095459823 567134502 /nfs/dbraw/zinc/13/45/02/567134502.db2.gz MROQFQNRXHEZDW-QGZVFWFLSA-N 1 0 290.426 3.837 50 0 CHAARO OCC[NH+]1[C@H](c2ccccc2)CCC[C@H]1c1ccccc1 ZINC000096026904 567138266 /nfs/dbraw/zinc/13/82/66/567138266.db2.gz MWRGPBOZHNQYCZ-OALUTQOASA-N 1 0 281.399 3.947 50 0 CHAARO OCC[NH+]1[C@@H](c2ccccc2)CCC[C@@H]1c1ccccc1 ZINC000096026903 567138339 /nfs/dbraw/zinc/13/83/39/567138339.db2.gz MWRGPBOZHNQYCZ-RTBURBONSA-N 1 0 281.399 3.947 50 0 CHAARO [NH3+]C[C@@H](CCCCc1ccccc1)Oc1ccccc1 ZINC000096027225 567139335 /nfs/dbraw/zinc/13/93/35/567139335.db2.gz NYYWDYFOQIUSPR-GOSISDBHSA-N 1 0 269.388 3.806 50 0 CHAARO C[NH+](C)C[C@H](CCOc1ccccc1)c1ccccc1 ZINC000096027139 567139376 /nfs/dbraw/zinc/13/93/76/567139376.db2.gz BIXXIEVJZJDCAP-KRWDZBQOSA-N 1 0 269.388 3.801 50 0 CHAARO Cc1ncc(CNc2ccc(Cl)c(C[NH+](C)C)c2)s1 ZINC000282108621 567141477 /nfs/dbraw/zinc/14/14/77/567141477.db2.gz DRMNRDZZYWBAMC-UHFFFAOYSA-N 1 0 295.839 3.779 50 0 CHAARO OCC[C@@H]([NH2+]Cc1sccc1Cl)c1ccccc1 ZINC000225610892 567145456 /nfs/dbraw/zinc/14/54/56/567145456.db2.gz ACRKNDWPOBEJQW-CYBMUJFWSA-N 1 0 281.808 3.615 50 0 CHAARO CC[C@H]1CCCCN1CC(=O)c1ccccc1Cl ZINC000003306531 567168551 /nfs/dbraw/zinc/16/85/51/567168551.db2.gz AZWYKQVSYKVSET-LBPRGKRZSA-N 1 0 265.784 3.787 50 0 CHAARO CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000217907484 567177619 /nfs/dbraw/zinc/17/76/19/567177619.db2.gz NIXRWAKIVVHSPX-GJZGRUSLSA-N 1 0 296.455 3.745 50 0 CHAARO COC(C)(C)C[C@H](C)[NH2+]Cc1c(C)ccc2ncccc21 ZINC000670453892 567182079 /nfs/dbraw/zinc/18/20/79/567182079.db2.gz JGAYDEPZCNNSME-AWEZNQCLSA-N 1 0 286.419 3.836 50 0 CHAARO c1cnc2c(c1)cccc2OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004029148 567185751 /nfs/dbraw/zinc/18/57/51/567185751.db2.gz YTPGZPIZLZHNLJ-DLBZAZTESA-N 1 0 296.414 3.878 50 0 biogenic,in-vitro CHAARO c1cncc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c1 ZINC000032128470 567190238 /nfs/dbraw/zinc/19/02/38/567190238.db2.gz FKTHQMOTAGYZBB-UHFFFAOYSA-N 1 0 282.387 3.693 50 0 CHAARO CCC[NH+]1CCC(Cn2ccnc2-c2ccsc2)CC1 ZINC000067727499 567197359 /nfs/dbraw/zinc/19/73/59/567197359.db2.gz CPAGGJOPQLLBHK-UHFFFAOYSA-N 1 0 289.448 3.734 50 0 CHAARO C[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1 ZINC000000056643 567817140 /nfs/dbraw/zinc/81/71/40/567817140.db2.gz OWQUZNMMYNAXSL-UHFFFAOYSA-N 1 0 281.399 3.887 50 0 world CHAARO O[C@@](CC[NH+]1CCCC1)(c1ccccc1)C1CCCCC1 ZINC000000057455 567817199 /nfs/dbraw/zinc/81/71/99/567817199.db2.gz WYDUSKDSKCASEF-IBGZPJMESA-N 1 0 287.447 3.940 50 0 world CHAARO Cc1onc(-c2ccccc2)c1C[NH+]1CCCCC1 ZINC000000148085 567820379 /nfs/dbraw/zinc/82/03/79/567820379.db2.gz WNJZRDAMPJNRFY-UHFFFAOYSA-N 1 0 256.349 3.636 50 0 CHAARO C[C@@H](Cc1ccccc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000000216203 567822421 /nfs/dbraw/zinc/82/24/21/567822421.db2.gz HESNJCULOIZPRG-INIZCTEOSA-N 1 0 298.405 3.579 50 0 CHAARO C[n+]1c2ccccc2sc1CCc1ccccc1 ZINC000000272089 567823552 /nfs/dbraw/zinc/82/35/52/567823552.db2.gz ITMBHFBACYDGLG-UHFFFAOYSA-N 1 0 254.378 3.511 50 0 CHAARO C[NH+](C)Cc1ccccc1Sc1ccccc1O ZINC000000346287 567825821 /nfs/dbraw/zinc/82/58/21/567825821.db2.gz LIUYMMIIJPJJSD-UHFFFAOYSA-N 1 0 259.374 3.605 50 0 CHAARO CC[NH2+]CC[C@@H](COc1ccccc1)c1ccccc1 ZINC000096027220 567836073 /nfs/dbraw/zinc/83/60/73/567836073.db2.gz IIXYVQDVCJDUKK-KRWDZBQOSA-N 1 0 269.388 3.849 50 0 CHAARO COc1cc2c(cc1OC)[C@H](CCc1ccccc1)[NH2+]CC2 ZINC000002011314 567843969 /nfs/dbraw/zinc/84/39/69/567843969.db2.gz ZSTCPHVBMNDKEB-KRWDZBQOSA-N 1 0 297.398 3.523 50 0 CHAARO CCc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000002178165 567845202 /nfs/dbraw/zinc/84/52/02/567845202.db2.gz BBSSWYSCTKZXFZ-UHFFFAOYSA-N 1 0 257.352 3.720 50 0 CHAARO COc1cccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000002514549 567846138 /nfs/dbraw/zinc/84/61/38/567846138.db2.gz PNWURPPCXNCDGF-UHFFFAOYSA-N 1 0 295.382 3.522 50 0 CHAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000002515039 567846156 /nfs/dbraw/zinc/84/61/56/567846156.db2.gz BTUBPGBTQNHCTF-UHFFFAOYSA-N 1 0 257.377 3.655 50 0 CHAARO Cc1cccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000002514546 567846274 /nfs/dbraw/zinc/84/62/74/567846274.db2.gz MIMNIWBEFNDTGJ-UHFFFAOYSA-N 1 0 279.383 3.822 50 0 CHAARO Brc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000002576233 567848326 /nfs/dbraw/zinc/84/83/26/567848326.db2.gz PVXFHGJZYYWYQI-UHFFFAOYSA-N 1 0 276.177 3.739 50 0 CHAARO Fc1ccccc1OCCCC[NH+]1CCCCCC1 ZINC000002838913 567849431 /nfs/dbraw/zinc/84/94/31/567849431.db2.gz OBWIDXKPHWJZEP-UHFFFAOYSA-N 1 0 265.372 3.861 50 0 CHAARO CCOc1ccccc1OCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000003003749 567851199 /nfs/dbraw/zinc/85/11/99/567851199.db2.gz CCUXRNLEULXPHR-OAHLLOKOSA-N 1 0 277.408 3.586 50 0 CHAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000003683596 567853756 /nfs/dbraw/zinc/85/37/56/567853756.db2.gz KSJXTMFEFVOTFC-CNSOWSRNSA-N 1 0 279.468 3.730 50 0 CHAARO FC(F)(F)c1ccc2sc(C3CC[NH2+]CC3)nc2c1 ZINC000004219236 567855723 /nfs/dbraw/zinc/85/57/23/567855723.db2.gz TVCHTNHZBYJKSL-UHFFFAOYSA-N 1 0 286.322 3.782 50 0 CHAARO Cc1ccsc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000004488630 567857653 /nfs/dbraw/zinc/85/76/53/567857653.db2.gz MVAQBTMSSZDMCH-UHFFFAOYSA-N 1 0 270.401 3.870 50 0 CHAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CC(c2ccccc2)C1 ZINC000032558321 567861922 /nfs/dbraw/zinc/86/19/22/567861922.db2.gz FKQHUIPXVRUEGN-OOHWJJMZSA-N 1 0 275.436 3.852 50 0 CHAARO c1csc(C[NH2+]Cc2cccc(Oc3ncccn3)c2)c1 ZINC000013731573 567867372 /nfs/dbraw/zinc/86/73/72/567867372.db2.gz QKIRCRNCXLMUPP-UHFFFAOYSA-N 1 0 297.383 3.620 50 0 CHAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccccc1Cl)(C3)C2 ZINC000013728971 567867689 /nfs/dbraw/zinc/86/76/89/567867689.db2.gz CYZNIZROQNXYQL-ZPVISIIKSA-N 1 0 291.822 3.513 50 0 CHAARO C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc21 ZINC000013782372 567867963 /nfs/dbraw/zinc/86/79/63/567867963.db2.gz GIKPTWKWYXCBEC-SSDOTTSWSA-N 1 0 294.148 3.831 50 0 in-vitro CHAARO CC(C)(C)c1ccc(COCC2CC[NH2+]CC2)cc1 ZINC000014631401 567869478 /nfs/dbraw/zinc/86/94/78/567869478.db2.gz LZKUKWLPTZUCNU-UHFFFAOYSA-N 1 0 261.409 3.500 50 0 CHAARO c1ccc(Oc2ccc(OCC3CC[NH2+]CC3)cc2)cc1 ZINC000014631462 567869552 /nfs/dbraw/zinc/86/95/52/567869552.db2.gz YSCXMANXVZECOG-UHFFFAOYSA-N 1 0 283.371 3.857 50 0 CHAARO CSc1sc2ccccc2[n+]1-c1ccccc1 ZINC000000410155 567875737 /nfs/dbraw/zinc/87/57/37/567875737.db2.gz IBYFHEKLBVDGFF-UHFFFAOYSA-N 1 0 258.391 3.900 50 0 CHAARO CCc1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019359629 567877228 /nfs/dbraw/zinc/87/72/28/567877228.db2.gz KBQRNTCAIKTVIE-LJQANCHMSA-N 1 0 298.474 3.723 50 0 CHAARO CC1CCC([NH+]2CCN(Cc3ccccc3F)CC2)CC1 ZINC000019359623 567877646 /nfs/dbraw/zinc/87/76/46/567877646.db2.gz ROQLCEYBXCUCLX-UHFFFAOYSA-N 1 0 290.426 3.522 50 0 CHAARO Fc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000019720438 567878354 /nfs/dbraw/zinc/87/83/54/567878354.db2.gz QRXYRTSSPKERRT-UHFFFAOYSA-N 1 0 268.335 3.639 50 0 biogenic CHAARO CC(C)CC[NH2+]Cc1cc(Br)ccc1F ZINC000019911814 567879487 /nfs/dbraw/zinc/87/94/87/567879487.db2.gz GNGOKJFTYRSJTI-UHFFFAOYSA-N 1 0 274.177 3.724 50 0 CHAARO CC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC000020058128 567880775 /nfs/dbraw/zinc/88/07/75/567880775.db2.gz KJFKEURXWTWVGP-UHFFFAOYSA-N 1 0 285.387 3.726 50 0 CHAARO Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)o1 ZINC000023257931 567881744 /nfs/dbraw/zinc/88/17/44/567881744.db2.gz ZPLDIBJXBZZPMM-OAHLLOKOSA-N 1 0 290.432 3.576 50 0 CHAARO CN(Cc1ncc(Cl)n1C)[C@@H]1CCCc2ccccc21 ZINC000026815911 567882989 /nfs/dbraw/zinc/88/29/89/567882989.db2.gz XBGZPRYITCOORV-CQSZACIVSA-N 1 0 289.810 3.583 50 0 CHAARO CCCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000028291880 567883623 /nfs/dbraw/zinc/88/36/23/567883623.db2.gz ZIEQJYRJCBGBSX-QGZVFWFLSA-N 1 0 288.435 3.520 50 0 CHAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(Cl)c1 ZINC000072298482 567885103 /nfs/dbraw/zinc/88/51/03/567885103.db2.gz UJJLSEIGQSYKBC-OAHLLOKOSA-N 1 0 289.810 3.724 50 0 CHAARO CC[NH+](CC)c1ccc(NCc2ccccn2)cc1 ZINC000032108844 567885529 /nfs/dbraw/zinc/88/55/29/567885529.db2.gz VCDRPCGUPSWPDB-UHFFFAOYSA-N 1 0 255.365 3.540 50 0 CHAARO COc1cc(C)ccc1OCCC[NH+]1CCCCCC1 ZINC000002838911 567887306 /nfs/dbraw/zinc/88/73/06/567887306.db2.gz DGAOWMUXZZFCLJ-UHFFFAOYSA-N 1 0 277.408 3.649 50 0 CHAARO C[C@H]1CCC[N@H+](Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000004988892 567888450 /nfs/dbraw/zinc/88/84/50/567888450.db2.gz FLYWGQHPSUSCJU-NSHDSACASA-N 1 0 291.778 3.678 50 0 CHAARO BrC12C[C@@H]3C[C@H](C1)CC([NH+]1CCCC1)(C3)C2 ZINC000034925584 567889053 /nfs/dbraw/zinc/88/90/53/567889053.db2.gz CIVARSFDXZMBQT-VTXSZYRJSA-N 1 0 284.241 3.569 50 0 CHAARO Clc1ccc(COCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042771820 567891508 /nfs/dbraw/zinc/89/15/08/567891508.db2.gz AIOMGAWPJBHMRJ-UHFFFAOYSA-N 1 0 288.218 3.900 50 0 CHAARO Cc1cc(OCCC2CC[NH2+]CC2)ccc1Br ZINC000042770599 567891778 /nfs/dbraw/zinc/89/17/78/567891778.db2.gz TXUYXUJDDBQSKN-UHFFFAOYSA-N 1 0 298.224 3.526 50 0 CHAARO CC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000058175369 567895501 /nfs/dbraw/zinc/89/55/01/567895501.db2.gz FIHJMMDKAMVBIG-UHFFFAOYSA-N 1 0 256.349 3.574 50 0 CHAARO CC[C@@H](C)[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000065504754 567899667 /nfs/dbraw/zinc/89/96/67/567899667.db2.gz RSFULAPJBJZFDW-CYBMUJFWSA-N 1 0 270.376 3.557 50 0 CHAARO COc1cccc(F)c1-c1cccc(C[NH2+]C2CC2)c1 ZINC000067741795 567900498 /nfs/dbraw/zinc/90/04/98/567900498.db2.gz RLGPJSGXOJZPBR-UHFFFAOYSA-N 1 0 271.335 3.753 50 0 CHAARO [NH3+]CCOCc1ccc(-c2ccc(F)cc2Cl)cc1 ZINC000067895002 567901130 /nfs/dbraw/zinc/90/11/30/567901130.db2.gz XONHFLWFQLQQKA-UHFFFAOYSA-N 1 0 279.742 3.621 50 0 CHAARO c1cn(CC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000071753394 567901785 /nfs/dbraw/zinc/90/17/85/567901785.db2.gz XBTRVFPWCVSMGD-KRWDZBQOSA-N 1 0 295.430 3.673 50 0 CHAARO C[NH+](C)[C@H](Cn1ccnc1C1CC1)c1ccccc1Cl ZINC000072426922 567902452 /nfs/dbraw/zinc/90/24/52/567902452.db2.gz DEKDWHWAJOTBPG-OAHLLOKOSA-N 1 0 289.810 3.717 50 0 CHAARO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2cccc(OC)c2)cn1 ZINC000072430814 567902500 /nfs/dbraw/zinc/90/25/00/567902500.db2.gz KSAGROCOYNLNJM-GOSISDBHSA-N 1 0 299.418 3.639 50 0 CHAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1ccc2occc2c1 ZINC000072468059 567903017 /nfs/dbraw/zinc/90/30/17/567903017.db2.gz ZDHVMIIHLSWWLH-KRWDZBQOSA-N 1 0 286.419 3.739 50 0 CHAARO C[C@H](C[N@H+](C)Cc1cccc(-n2cccn2)c1)C(F)(F)F ZINC000072454456 567903228 /nfs/dbraw/zinc/90/32/28/567903228.db2.gz TZZULZQECIIJTQ-GFCCVEGCSA-N 1 0 297.324 3.503 50 0 CHAARO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@H]2C[C@H]2C)n1 ZINC000097105624 567904490 /nfs/dbraw/zinc/90/44/90/567904490.db2.gz GKWHMOGCBNAMHQ-RHSMWYFYSA-N 1 0 295.430 3.752 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000097159027 567905067 /nfs/dbraw/zinc/90/50/67/567905067.db2.gz CLRPAWPCIHTWBU-UHFFFAOYSA-N 1 0 291.398 3.906 50 0 CHAARO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC(C)C ZINC000098081498 567907371 /nfs/dbraw/zinc/90/73/71/567907371.db2.gz VKYBRVRZAIEJLZ-UHFFFAOYSA-N 1 0 291.826 3.639 50 0 CHAARO CC(C)[N@@H+]1CC[C@@H](CN2c3cccc4cccc(c34)C2=O)C1 ZINC000095361953 567909583 /nfs/dbraw/zinc/90/95/83/567909583.db2.gz FVYWJFMPKFTJRC-CQSZACIVSA-N 1 0 294.398 3.530 50 0 CHAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cn[nH]c2)cc1Cl ZINC000096150390 567909792 /nfs/dbraw/zinc/90/97/92/567909792.db2.gz HFHBAKAWVUEFGD-LLVKDONJSA-N 1 0 275.783 3.714 50 0 CHAARO C[C@@H](c1cccc(-c2ccc(C(=O)N(C)C)cc2)c1)[NH+](C)C ZINC000096160541 567909838 /nfs/dbraw/zinc/90/98/38/567909838.db2.gz MMCKDPFXYWGSQB-AWEZNQCLSA-N 1 0 296.414 3.678 50 0 CHAARO c1cc(C2CCCC2)sc1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000097259155 567910360 /nfs/dbraw/zinc/91/03/60/567910360.db2.gz KFFMSPHEUQOQHL-ZFWWWQNUSA-N 1 0 290.476 3.590 50 0 CHAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1cc3ccccc3o1)CC2 ZINC000097698785 567910743 /nfs/dbraw/zinc/91/07/43/567910743.db2.gz OIDPQTUHUSLSGG-YJBOKZPZSA-N 1 0 285.387 3.560 50 0 CHAARO c1cc2cccc(CC[NH2+]Cc3ccccc3)c2[nH]1 ZINC000408514098 567927519 /nfs/dbraw/zinc/92/75/19/567927519.db2.gz NTVZLUKOLJSCBW-UHFFFAOYSA-N 1 0 250.345 3.500 50 0 CHAARO c1ccc(OC[C@H]([NH2+]C2CCOCC2)c2ccccc2)cc1 ZINC000408513806 567927612 /nfs/dbraw/zinc/92/76/12/567927612.db2.gz KRWDIEIQBVVICY-IBGZPJMESA-N 1 0 297.398 3.575 50 0 CHAARO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000408525959 567927681 /nfs/dbraw/zinc/92/76/81/567927681.db2.gz YOXSHHMJIQIVKX-WBAXXEDZSA-N 1 0 251.373 3.968 50 0 CHAARO [NH2+]=C(COc1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000003159248 567939013 /nfs/dbraw/zinc/93/90/13/567939013.db2.gz WGABYNJPRVVANE-UHFFFAOYSA-N 1 0 287.190 3.835 50 0 CHAARO Cc1ccc2[nH+]c3c(c(N)c2c1)CCN3c1ccccc1 ZINC000018149290 567940273 /nfs/dbraw/zinc/94/02/73/567940273.db2.gz RMFDFWIUWQZPBH-UHFFFAOYSA-N 1 0 275.355 3.820 50 0 CHAARO CC[NH2+][C@@H]1CCc2c1cccc2OCc1ccccc1 ZINC000062799794 567943667 /nfs/dbraw/zinc/94/36/67/567943667.db2.gz GQFUZPJMCFWXJO-QGZVFWFLSA-N 1 0 267.372 3.862 50 0 CHAARO C[C@@H](C[N@H+](CCN(C)C)Cc1ccccc1)c1ccccc1 ZINC000019849835 567944621 /nfs/dbraw/zinc/94/46/21/567944621.db2.gz DJFLFGGYEOZENV-SFHVURJKSA-N 1 0 296.458 3.854 50 0 CHAARO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000019803928 567944755 /nfs/dbraw/zinc/94/47/55/567944755.db2.gz DDOUSLZEXAVQAW-KRWDZBQOSA-N 1 0 265.356 3.536 50 0 CHAARO COc1cccc([C@@H](C)[NH2+]CCc2ccccc2)c1 ZINC000019919874 567945112 /nfs/dbraw/zinc/94/51/12/567945112.db2.gz ISQOEQSIAKIDNY-CQSZACIVSA-N 1 0 255.361 3.589 50 0 CHAARO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000019908255 567945118 /nfs/dbraw/zinc/94/51/18/567945118.db2.gz RRHDOGCAQINUEW-LLVKDONJSA-N 1 0 289.762 3.920 50 0 CHAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1cccc(F)c1 ZINC000000819072 567948250 /nfs/dbraw/zinc/94/82/50/567948250.db2.gz WBEBPRGYZNTIRW-UHFFFAOYSA-N 1 0 281.334 3.838 50 0 CHAARO Cc1cc(C)n(-c2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000032819294 567948710 /nfs/dbraw/zinc/94/87/10/567948710.db2.gz OERLQSIVDHTJEI-GJZGRUSLSA-N 1 0 297.446 3.967 50 0 CHAARO Cc1ccc2cc(C[NH2+]CCC[C@H]3CCC[C@@H]3O)ccc2n1 ZINC000225464873 567953776 /nfs/dbraw/zinc/95/37/76/567953776.db2.gz RTJZBTCZMSASQC-APWZRJJASA-N 1 0 298.430 3.574 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)o1 ZINC000225526700 567953896 /nfs/dbraw/zinc/95/38/96/567953896.db2.gz LMKYQIPQPORYNZ-MLGOLLRUSA-N 1 0 289.350 3.661 50 0 CHAARO CC(C)(CO)[C@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000225636645 567954397 /nfs/dbraw/zinc/95/43/97/567954397.db2.gz QPAFHUKNSBRVDX-OAHLLOKOSA-N 1 0 275.417 3.598 50 0 CHAARO c1ccc2c(c1)cccc2CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000058378177 567956420 /nfs/dbraw/zinc/95/64/20/567956420.db2.gz IRPVZGCJVHYJPY-GOSISDBHSA-N 1 0 280.415 3.510 50 0 CHAARO [NH3+]Cc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000011851479 570220767 /nfs/dbraw/zinc/22/07/67/570220767.db2.gz HGZRYLOELFPGHT-UHFFFAOYSA-N 1 0 266.369 3.936 50 0 CHAARO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000032777675 570221919 /nfs/dbraw/zinc/22/19/19/570221919.db2.gz CJQIVLRRDCRIRZ-ZBFHGGJFSA-N 1 0 274.408 3.526 50 0 CHAARO c1cc2n(c1)-c1ccccc1C[NH2+][C@H]2c1ccccc1 ZINC000055211067 570241532 /nfs/dbraw/zinc/24/15/32/570241532.db2.gz NUCZYEHNXNPWBA-SFHVURJKSA-N 1 0 260.340 3.670 50 0 CHAARO CC[C@@](CC[NH+]1CCCCC1)(OC)c1ccccc1 ZINC000067340241 570246256 /nfs/dbraw/zinc/24/62/56/570246256.db2.gz KCGUBTPOOFSLPO-KRWDZBQOSA-N 1 0 261.409 3.814 50 0 CHAARO Cc1cc(OCc2csc([C@H]3CCCO3)n2)cc(C)[nH+]1 ZINC000128175898 570270258 /nfs/dbraw/zinc/27/02/58/570270258.db2.gz CAKNTSNBPGSMLT-CQSZACIVSA-N 1 0 290.388 3.585 50 0 CHAARO CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000048343676 570297743 /nfs/dbraw/zinc/29/77/43/570297743.db2.gz DGKZDNSILYXDDX-CQSZACIVSA-N 1 0 271.364 3.501 50 0 CHAARO COc1ccc(CC(C)(C)[NH2+]Cc2ccccc2)cc1 ZINC000144187083 570301326 /nfs/dbraw/zinc/30/13/26/570301326.db2.gz MZCJIHAOUWMHSU-UHFFFAOYSA-N 1 0 269.388 3.806 50 0 CHAARO CCCc1ccc(C[N@H+](C)C2CCSCC2)o1 ZINC000215725610 570303675 /nfs/dbraw/zinc/30/36/75/570303675.db2.gz KVJSHBMOOGUMLW-UHFFFAOYSA-N 1 0 253.411 3.560 50 0 CHAARO COc1ccccc1C1CCN(Cc2cscn2)CC1 ZINC000215822471 570304071 /nfs/dbraw/zinc/30/40/71/570304071.db2.gz DTJMBNKBGVBMHC-UHFFFAOYSA-N 1 0 288.416 3.531 50 0 CHAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1cccc2[nH]ccc21 ZINC000215854461 570304511 /nfs/dbraw/zinc/30/45/11/570304511.db2.gz AYZGVLTXPMJEMT-HNNXBMFYSA-N 1 0 272.392 3.559 50 0 CHAARO c1cc2cccc(CN3CCCC[C@@H]3C[NH+]3CCCC3)c2[nH]1 ZINC000216044609 570304992 /nfs/dbraw/zinc/30/49/92/570304992.db2.gz PPKLUWMIWJNHKM-GOSISDBHSA-N 1 0 297.446 3.618 50 0 CHAARO Cc1nccn1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000244811493 570321085 /nfs/dbraw/zinc/32/10/85/570321085.db2.gz SDTOGCXUMXSOFT-KRWDZBQOSA-N 1 0 287.382 3.558 50 0 CHAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C[NH3+] ZINC000255190660 570323194 /nfs/dbraw/zinc/32/31/94/570323194.db2.gz YPYNKTNKZCIKGQ-UHFFFAOYSA-N 1 0 255.239 3.733 50 0 CHAARO C[NH+](C)CCCOC1c2ccccc2CCc2ccccc21 ZINC000003634101 570328045 /nfs/dbraw/zinc/32/80/45/570328045.db2.gz WUXFBGRLIIIPJG-UHFFFAOYSA-N 1 0 295.426 3.843 50 0 CHAARO Cc1ncc([C@@H](C)[NH2+]CC(C)(C)CC2CCOCC2)s1 ZINC000090419561 570352497 /nfs/dbraw/zinc/35/24/97/570352497.db2.gz RTWSSSQPGQDVQC-GFCCVEGCSA-N 1 0 296.480 3.945 50 0 CHAARO CCc1ncc(CNc2ccc(-n3ccnc3)cc2)s1 ZINC000089296029 570355819 /nfs/dbraw/zinc/35/58/19/570355819.db2.gz OQZPTQSXRVRGTD-UHFFFAOYSA-N 1 0 284.388 3.503 50 0 CHAARO Cc1c([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)cnn1C ZINC000091967929 570371388 /nfs/dbraw/zinc/37/13/88/570371388.db2.gz HXDOCYKZDUKNCF-GOSISDBHSA-N 1 0 294.402 3.547 50 0 CHAARO c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)nc1 ZINC000095351187 570371858 /nfs/dbraw/zinc/37/18/58/570371858.db2.gz AXNZDEOHWQOCIN-KRWDZBQOSA-N 1 0 267.376 3.594 50 0 CHAARO CC1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000000279918 570382671 /nfs/dbraw/zinc/38/26/71/570382671.db2.gz NYNJLYARZPZQCF-UHFFFAOYSA-N 1 0 276.399 3.526 50 0 CHAARO C[N@H+](CCc1cn[nH]c1)Cc1ccccc1-c1ccccc1 ZINC000253431281 570385944 /nfs/dbraw/zinc/38/59/44/570385944.db2.gz UZZIDVQKZDYQRZ-UHFFFAOYSA-N 1 0 291.398 3.751 50 0 CHAARO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N2CCCC2=O)cc1 ZINC000079064264 570396391 /nfs/dbraw/zinc/39/63/91/570396391.db2.gz SEDKIYSEGBUOIX-CVEARBPZSA-N 1 0 298.430 3.820 50 0 CHAARO CC[C@@H]1C=CC[N@@H+]1Cc1ccc2cc(O)ccc2c1 ZINC000952983204 615551099 /nfs/dbraw/zinc/55/10/99/615551099.db2.gz SENIDHKDOILLQR-MRXNPFEDSA-N 1 0 253.345 3.696 50 0 CHAARO CCc1nc(C)c(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000952972011 615737196 /nfs/dbraw/zinc/73/71/96/615737196.db2.gz YWFQHSNEQLQUMV-LJQANCHMSA-N 1 0 297.446 3.738 50 0 CHAARO COCC1(C[NH2+]Cc2ccc(-c3ccccn3)cc2)CCC1 ZINC000952991734 616774666 /nfs/dbraw/zinc/77/46/66/616774666.db2.gz RZMYCYHGEKAZPL-UHFFFAOYSA-N 1 0 296.414 3.655 50 0 CHAARO Cc1c(C)n(C(=O)C[N@H+]2CCCC[C@H]2C)c2ccccc12 ZINC000054097432 1125652584 /nfs/dbraw/zinc/65/25/84/1125652584.db2.gz HJYZWHVDIUUFDA-CYBMUJFWSA-N 1 0 284.403 3.773 50 0 CHAARO COCC1(CNc2cc(C)[nH+]c3ccccc23)CCC1 ZINC000312450455 1117852693 /nfs/dbraw/zinc/85/26/93/1117852693.db2.gz DBZFFHXZYUMPEJ-UHFFFAOYSA-N 1 0 270.376 3.772 50 0 CHAARO CCN(CC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC000022027581 1118174706 /nfs/dbraw/zinc/17/47/06/1118174706.db2.gz ZTQRGIODKAYFHX-UHFFFAOYSA-N 1 0 268.832 3.504 50 0 CHAARO CC[NH+](CC)CCOCCOc1ccc2ccccc2c1 ZINC000002895684 1119147356 /nfs/dbraw/zinc/14/73/56/1119147356.db2.gz WTNPNQGVNYSLNN-UHFFFAOYSA-N 1 0 287.403 3.577 50 0 CHAARO Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccncc1 ZINC000180991247 1128827622 /nfs/dbraw/zinc/82/76/22/1128827622.db2.gz XWGPBARQRCOBTR-OAHLLOKOSA-N 1 0 288.778 3.739 50 0 CHAARO Cc1nc(C2([NH2+]C[C@@H](C)Cc3ccccc3)CCCC2)no1 ZINC000182060240 1128927986 /nfs/dbraw/zinc/92/79/86/1128927986.db2.gz LGFRITQXSUWXSH-AWEZNQCLSA-N 1 0 299.418 3.616 50 0 CHAARO Cc1nc(C2([NH2+]C[C@H](C)Cc3ccccc3)CCCC2)no1 ZINC000182060255 1128928267 /nfs/dbraw/zinc/92/82/67/1128928267.db2.gz LGFRITQXSUWXSH-CQSZACIVSA-N 1 0 299.418 3.616 50 0 CHAARO CSCC[C@H](C)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000108357771 1120745915 /nfs/dbraw/zinc/74/59/15/1120745915.db2.gz JANZJMDZOZZRQJ-UXLLHSPISA-N 1 0 292.492 3.553 50 0 CHAARO CC[NH+](CC)CCOc1cccc(Cl)c1Cl ZINC000005092679 1120963676 /nfs/dbraw/zinc/96/36/76/1120963676.db2.gz DVVKHKFGKMVINB-UHFFFAOYSA-N 1 0 262.180 3.714 50 0 CHAARO CC(=O)c1ccc([C@H]2c3ccccc3C[NH2+]C2(C)C)cc1O ZINC000039347035 1121122358 /nfs/dbraw/zinc/12/23/58/1121122358.db2.gz RBMULGNRLGMXEU-SFHVURJKSA-N 1 0 295.382 3.609 50 0 CHAARO CO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000509125894 1121590521 /nfs/dbraw/zinc/59/05/21/1121590521.db2.gz SKIWLYLHXITVHW-MRXNPFEDSA-N 1 0 285.387 3.866 50 0 CHAARO Cc1noc(C)c1CN(C)[C@@H](C)c1ccccc1F ZINC000052074265 1121645526 /nfs/dbraw/zinc/64/55/26/1121645526.db2.gz RNCCUJOJVXZVBC-NSHDSACASA-N 1 0 262.328 3.624 50 0 CHAARO CCC[C@@]1(CO)CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000808163623 1121764612 /nfs/dbraw/zinc/76/46/12/1121764612.db2.gz PDEQQTQLXNZNLF-LJQANCHMSA-N 1 0 298.430 3.841 50 0 CHAARO c1cc([C@@H]2CCCO2)sc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000820420197 1121898537 /nfs/dbraw/zinc/89/85/37/1121898537.db2.gz IVJWYURTPAMXJN-LZWOXQAQSA-N 1 0 289.444 3.998 50 0 CHAARO CC[N@@H+]1CC[C@@H](CNc2ccc3cccc(Cl)c3n2)C1 ZINC000823104900 1121989879 /nfs/dbraw/zinc/98/98/79/1121989879.db2.gz NVOFWRPPERUXOC-LBPRGKRZSA-N 1 0 289.810 3.642 50 0 CHAARO c1ccc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000585138537 1131324891 /nfs/dbraw/zinc/32/48/91/1131324891.db2.gz ZBAUXQDRYYCZQY-GBESFXJTSA-N 1 0 263.384 3.922 50 0 CHAARO C[N@@H+]1CCC[C@@H](CNc2ccc3cc(Cl)ccc3n2)C1 ZINC000823770586 1129270904 /nfs/dbraw/zinc/27/09/04/1129270904.db2.gz CDUHHLUQWDCLSU-LBPRGKRZSA-N 1 0 289.810 3.642 50 0 CHAARO Cc1ccc2nc(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc(C)c2c1 ZINC000825206802 1129314695 /nfs/dbraw/zinc/31/46/95/1129314695.db2.gz OTLJRMDAUSEHDM-HNNXBMFYSA-N 1 0 295.430 3.748 50 0 CHAARO CCCCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](CO)C1 ZINC000092763364 1129406839 /nfs/dbraw/zinc/40/68/39/1129406839.db2.gz DXVWECIBUNQLQI-CQSZACIVSA-N 1 0 287.403 3.590 50 0 CHAARO C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000000213977 1129736239 /nfs/dbraw/zinc/73/62/39/1129736239.db2.gz WNLHYHOITGLYJS-CTWPCTMYSA-N 1 0 286.463 3.787 50 0 CHAARO Clc1ccc(-c2noc(C[NH+]3CCCCCC3)n2)cc1 ZINC000015070454 1129835752 /nfs/dbraw/zinc/83/57/52/1129835752.db2.gz ZYFHMZSVLRLAJV-UHFFFAOYSA-N 1 0 291.782 3.766 50 0 CHAARO C[C@@H](CCc1ccccc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000020545320 1129848326 /nfs/dbraw/zinc/84/83/26/1129848326.db2.gz DGWFWVYRHGQJHI-KRWDZBQOSA-N 1 0 288.479 3.862 50 0 CHAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(CC)cc2)C1 ZINC000039445381 1129852367 /nfs/dbraw/zinc/85/23/67/1129852367.db2.gz UWVIDAQTEIXTEG-SFHVURJKSA-N 1 0 297.446 3.914 50 0 CHAARO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)F)nc1 ZINC000658024536 1130675805 /nfs/dbraw/zinc/67/58/05/1130675805.db2.gz YKXVFDCFNRSLQF-UWVGGRQHSA-N 1 0 293.317 3.532 50 0 CHAARO c1cn(-c2ccccc2C[NH2+]CCCc2ccccc2)cn1 ZINC000952872251 1132016069 /nfs/dbraw/zinc/01/60/69/1132016069.db2.gz LKDTVUWDIFSMOM-UHFFFAOYSA-N 1 0 291.398 3.595 50 0 CHAARO Cc1cccc2c1OCC[C@H]2[NH2+]C1CC(c2ccncc2)C1 ZINC000952876283 1132016373 /nfs/dbraw/zinc/01/63/73/1132016373.db2.gz KMWSHFDXECYGNR-LEOMRAHMSA-N 1 0 294.398 3.749 50 0 CHAARO Cc1cccc(CC[NH2+][C@@H](C)/C=C/c2cccs2)n1 ZINC000952876585 1132017915 /nfs/dbraw/zinc/01/79/15/1132017915.db2.gz CHZVPNHAIZWDQT-XEHSLEBBSA-N 1 0 272.417 3.686 50 0 CHAARO CN(CC[N@H+](C)C1CCCC1)Cc1ccc2ccccc2n1 ZINC000952867828 1132017931 /nfs/dbraw/zinc/01/79/31/1132017931.db2.gz SNHXSIDMIRKDNA-UHFFFAOYSA-N 1 0 297.446 3.541 50 0 CHAARO Cc1cc(C[NH2+]C2CCN(c3cccc(C)c3)CC2)oc1C ZINC000952981418 1132019350 /nfs/dbraw/zinc/01/93/50/1132019350.db2.gz MNDXRBDLPAVITJ-UHFFFAOYSA-N 1 0 298.430 3.963 50 0 CHAARO Cc1ccc([C@H](C[NH2+][C@@H](C)CC(C)C)N2CCCC2)o1 ZINC000097016734 230386284 /nfs/dbraw/zinc/38/62/84/230386284.db2.gz YYWWDHGYCMJTQP-HOCLYGCPSA-N 1 0 278.440 3.749 50 0 CHAARO Cc1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)n1 ZINC000097016573 230386411 /nfs/dbraw/zinc/38/64/11/230386411.db2.gz YFFFFTVHTZUEJG-OAHLLOKOSA-N 1 0 270.376 3.786 50 0 CHAARO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1C ZINC000095968479 185046912 /nfs/dbraw/zinc/04/69/12/185046912.db2.gz PBCFQAYEUNFVCA-LSDHHAIUSA-N 1 0 271.408 3.757 50 0 CHAARO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(Cl)c1 ZINC000095976357 185051395 /nfs/dbraw/zinc/05/13/95/185051395.db2.gz FYPFAQHQWKPDAJ-GOEBONIOSA-N 1 0 295.810 3.552 50 0 CHAARO CC[C@@H]([NH2+]Cc1ccc(C(C)C)cc1)c1cncn1C ZINC000095996308 185060161 /nfs/dbraw/zinc/06/01/61/185060161.db2.gz ZRMUNANHRBLFBF-MRXNPFEDSA-N 1 0 271.408 3.784 50 0 CHAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1Oc1ccccc1)c1cnccn1 ZINC000097032867 185156265 /nfs/dbraw/zinc/15/62/65/185156265.db2.gz OENMATXWESJNRB-ZVZYQTTQSA-N 1 0 297.402 3.517 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)o1 ZINC000090542111 180000743 /nfs/dbraw/zinc/00/07/43/180000743.db2.gz ZZDNZXRLQJBYGM-HEHGZKQESA-N 1 0 295.448 3.547 50 0 CHAARO C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)C(C)(C)C ZINC000108324665 186211503 /nfs/dbraw/zinc/21/15/03/186211503.db2.gz AHRAFDULWVDUBJ-SQWLQELKSA-N 1 0 263.425 3.565 50 0 CHAARO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(C)cc1 ZINC000095420949 184977130 /nfs/dbraw/zinc/97/71/30/184977130.db2.gz MBHZJBASIYFSNG-GOSISDBHSA-N 1 0 296.414 3.596 50 0 CHAARO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000096478214 533411960 /nfs/dbraw/zinc/41/19/60/533411960.db2.gz XXHLDOJMQQMTGQ-CRAIPNDOSA-N 1 0 299.414 3.778 50 0 CHAARO Cc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)s1 ZINC000016662612 134696695 /nfs/dbraw/zinc/69/66/95/134696695.db2.gz WCOSMTJKGKQXLI-UHFFFAOYSA-N 1 0 286.444 3.687 50 0 CHAARO CC(C)(C)[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002348628 169786847 /nfs/dbraw/zinc/78/68/47/169786847.db2.gz JNCYAVIHRADDCI-CQSZACIVSA-N 1 0 296.414 3.544 50 0 CHAARO CC(C)(C)[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000002933016 169845259 /nfs/dbraw/zinc/84/52/59/169845259.db2.gz WMKQDVSDKKDIQI-UHFFFAOYSA-N 1 0 262.180 3.760 50 0 CHAARO Cc1cccc(C)c1OCCCCC[NH+]1CCCC1 ZINC000003106131 169856656 /nfs/dbraw/zinc/85/66/56/169856656.db2.gz OTKPZAHQPBHBAM-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO Nc1c(-c2ccccc2)sc2ccc3ccccc3[n+]12 ZINC000004263161 169950271 /nfs/dbraw/zinc/95/02/71/169950271.db2.gz XOCQDQCWMNJEEP-UHFFFAOYSA-N 1 0 277.372 3.889 50 0 CHAARO c1ccc(COc2ccccc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000004813896 170021794 /nfs/dbraw/zinc/02/17/94/170021794.db2.gz SJOLFEXJTQZBFV-GOSISDBHSA-N 1 0 297.398 3.534 50 0 CHAARO CCCC[NH2+]CCOCCOc1ccc(C(C)C)c(C)c1 ZINC000004845244 170029231 /nfs/dbraw/zinc/02/92/31/170029231.db2.gz ZPBHPFLDNSXCBF-UHFFFAOYSA-N 1 0 293.451 3.904 50 0 CHAARO Cc1cc(OCC[NH+]2CCCCC2)cc(C(C)C)c1 ZINC000004845179 170029573 /nfs/dbraw/zinc/02/95/73/170029573.db2.gz KRJGOUVYCJXEMG-UHFFFAOYSA-N 1 0 261.409 3.983 50 0 CHAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000004871834 170034760 /nfs/dbraw/zinc/03/47/60/170034760.db2.gz BPKDNISJDFGUFK-ZDUSSCGKSA-N 1 0 284.403 3.699 50 0 CHAARO C[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CC[N@@H+]2C1 ZINC000004906153 170039766 /nfs/dbraw/zinc/03/97/66/170039766.db2.gz HBGSSXPVPKMKAU-PXAZEXFGSA-N 1 0 254.377 3.671 50 0 CHAARO COc1cc(C[NH2+]C2CC2)ccc1OCc1cccs1 ZINC000004942828 170042925 /nfs/dbraw/zinc/04/29/25/170042925.db2.gz IKXURUMDZQCCBV-UHFFFAOYSA-N 1 0 289.400 3.588 50 0 CHAARO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000004982726 170048734 /nfs/dbraw/zinc/04/87/34/170048734.db2.gz UWSIRIJRXMPDBR-GOSISDBHSA-N 1 0 282.387 3.817 50 0 CHAARO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000004989309 170049764 /nfs/dbraw/zinc/04/97/64/170049764.db2.gz UJLVVIGETAHADM-HNNXBMFYSA-N 1 0 269.388 3.806 50 0 CHAARO C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000004989340 170049809 /nfs/dbraw/zinc/04/98/09/170049809.db2.gz CAKPKLPFTPLQEJ-HIFRSBDPSA-N 1 0 256.393 3.879 50 0 CHAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000004989274 170049962 /nfs/dbraw/zinc/04/99/62/170049962.db2.gz VXNOXHOGDBXKJQ-HNNXBMFYSA-N 1 0 299.414 3.815 50 0 CHAARO C[n+]1ccccc1/C=C/c1ccc(C(C)(C)C)cc1 ZINC000005496680 170104437 /nfs/dbraw/zinc/10/44/37/170104437.db2.gz KGHADMFWVHNGDJ-JLHYYAGUSA-N 1 0 252.381 3.979 50 0 CHAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000005557332 170112985 /nfs/dbraw/zinc/11/29/85/170112985.db2.gz BMYNOEXNAKSRKS-MCIONIFRSA-N 1 0 284.403 3.717 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(C)cc1 ZINC000005683734 170128365 /nfs/dbraw/zinc/12/83/65/170128365.db2.gz PCVORMWCOXVSHT-GOSISDBHSA-N 1 0 292.382 3.720 50 0 CHAARO Cc1ccc(C)c2c(=O)c(C[N@H+]3CCCC[C@@H]3C)c(C)[nH]c12 ZINC000005800599 170141701 /nfs/dbraw/zinc/14/17/01/170141701.db2.gz REGDHZGHWTUHJC-AWEZNQCLSA-N 1 0 298.430 3.828 50 0 CHAARO CC(C)=CCC[C@H](C)C[C@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000006182933 170181246 /nfs/dbraw/zinc/18/12/46/170181246.db2.gz BABQJPAGASLVKB-BZSNNMDCSA-N 1 0 295.467 3.986 50 0 CHAARO CC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000006497330 170206979 /nfs/dbraw/zinc/20/69/79/170206979.db2.gz BAZMLJDZSRQFMM-UHFFFAOYSA-N 1 0 289.350 3.523 50 0 CHAARO CC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000006744542 170238903 /nfs/dbraw/zinc/23/89/03/170238903.db2.gz MZICNEIPSWEQDY-UHFFFAOYSA-N 1 0 255.361 3.684 50 0 CHAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCCCCC1 ZINC000007339505 170277732 /nfs/dbraw/zinc/27/77/32/170277732.db2.gz OLYBVEMMSRDXDJ-ZDUSSCGKSA-N 1 0 270.376 3.615 50 0 CHAARO C[NH2+]CCCNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000008548497 170339430 /nfs/dbraw/zinc/33/94/30/170339430.db2.gz JAVNUUDMABRLEC-UHFFFAOYSA-N 1 0 292.810 3.608 50 0 CHAARO CCCCc1ccc2[nH]c(C)c(C[NH+](C)C)c(=O)c2c1 ZINC000008717209 170349128 /nfs/dbraw/zinc/34/91/28/170349128.db2.gz OIHKUHGWJHOYPT-UHFFFAOYSA-N 1 0 272.392 3.653 50 0 CHAARO Cc1[nH]c2ccc(F)cc2c(=O)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000008717118 170349420 /nfs/dbraw/zinc/34/94/20/170349420.db2.gz QNCSYIWJDHAUIC-LLVKDONJSA-N 1 0 288.366 3.620 50 0 CHAARO COc1ccc2ccccc2c1C[N@H+](C)Cc1cccnc1 ZINC000009090023 170363575 /nfs/dbraw/zinc/36/35/75/170363575.db2.gz XDIPMLDEMWXESB-UHFFFAOYSA-N 1 0 292.382 3.875 50 0 CHAARO C[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC000012359681 170479281 /nfs/dbraw/zinc/47/92/81/170479281.db2.gz PMXOUAJLQYBUOO-UHFFFAOYSA-N 1 0 265.715 3.991 50 0 CHAARO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000012414201 170486555 /nfs/dbraw/zinc/48/65/55/170486555.db2.gz ZLYUPXNPZUWJIQ-PMPSAXMXSA-N 1 0 297.483 3.596 50 0 CHAARO CC(C)[NH2+][C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012706459 170504989 /nfs/dbraw/zinc/50/49/89/170504989.db2.gz MUPNKNIFCPFHOW-OAHLLOKOSA-N 1 0 267.376 3.519 50 0 CHAARO CC(C)(C)c1ccc(COC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631120 170640314 /nfs/dbraw/zinc/64/03/14/170640314.db2.gz XLOVURHAIXGRDA-OAHLLOKOSA-N 1 0 261.409 3.500 50 0 CHAARO C[C@@H]1C[C@@H](C)C[N+](=C2C=C(N3CCCC3)CC(C)(C)C2)C1 ZINC000015953134 170683674 /nfs/dbraw/zinc/68/36/74/170683674.db2.gz FQMNXKJTBBWHTO-HZPDHXFCSA-N 1 0 289.487 3.916 50 0 CHAARO c1ccc2c(c1)C[C@H]1C[NH2+]Cc3cccc(c31)S2 ZINC000019801711 170870557 /nfs/dbraw/zinc/87/05/57/170870557.db2.gz YNLKJTVSDMCHHI-ZDUSSCGKSA-N 1 0 253.370 3.581 50 0 CHAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000019881998 170908394 /nfs/dbraw/zinc/90/83/94/170908394.db2.gz VERWMFMRAAXIBX-VHSXEESVSA-N 1 0 256.187 3.898 50 0 CHAARO Fc1cccc(F)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000020122472 171003091 /nfs/dbraw/zinc/00/30/91/171003091.db2.gz ACTIJSXJXMNFCX-UHFFFAOYSA-N 1 0 286.325 3.778 50 0 CHAARO Fc1ccc(CC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000020352243 171156189 /nfs/dbraw/zinc/15/61/89/171156189.db2.gz SLDHPVWRACWJRC-UHFFFAOYSA-N 1 0 284.378 3.675 50 0 CHAARO Cc1nc(-c2ccc(N[C@@H]3C[NH+]4CCC3CC4)cc2)cs1 ZINC000020441733 171204662 /nfs/dbraw/zinc/20/46/62/171204662.db2.gz DNGWBFXECJFYDW-MRXNPFEDSA-N 1 0 299.443 3.625 50 0 CHAARO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000020454270 171208485 /nfs/dbraw/zinc/20/84/85/171208485.db2.gz DESUOOVDXCMDOW-KBPBESRZSA-N 1 0 287.407 3.783 50 0 CHAARO CC(C)C[C@H](CNCc1c(F)cccc1Cl)[NH+](C)C ZINC000020564732 171253402 /nfs/dbraw/zinc/25/34/02/171253402.db2.gz YDPACEROMKCYDF-GFCCVEGCSA-N 1 0 286.822 3.545 50 0 CHAARO CC(C)[C@@H](CC[NH2+]CCN(C)C)c1ccc(Cl)cc1 ZINC000020588559 171259973 /nfs/dbraw/zinc/25/99/73/171259973.db2.gz GSIMJBKUNUUXIX-MRXNPFEDSA-N 1 0 282.859 3.621 50 0 CHAARO CC(C)(C)c1ccccc1OCCC1CC[NH2+]CC1 ZINC000020593586 171262931 /nfs/dbraw/zinc/26/29/31/171262931.db2.gz RRMCZLIYLNRTKT-UHFFFAOYSA-N 1 0 261.409 3.753 50 0 CHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000021720970 171320755 /nfs/dbraw/zinc/32/07/55/171320755.db2.gz XISRWSVBHOSFNN-OAHLLOKOSA-N 1 0 286.375 3.588 50 0 CHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000021720552 171320953 /nfs/dbraw/zinc/32/09/53/171320953.db2.gz POPIVCXGXZLMGP-HNNXBMFYSA-N 1 0 274.339 3.768 50 0 CHAARO CC[NH+](CC)CCNc1nc2cc(C)c(C)cc2s1 ZINC000034936058 171895883 /nfs/dbraw/zinc/89/58/83/171895883.db2.gz JUXXUEZHYFYCRM-UHFFFAOYSA-N 1 0 277.437 3.667 50 0 CHAARO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000038095375 174108509 /nfs/dbraw/zinc/10/85/09/174108509.db2.gz STZUTWBLZGEWQO-RISCZKNCSA-N 1 0 298.224 3.669 50 0 CHAARO OC[C@@H]1CCCC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000040081922 174187673 /nfs/dbraw/zinc/18/76/73/174187673.db2.gz UPMYEADFCAYWPC-NSHDSACASA-N 1 0 295.835 3.902 50 0 CHAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cccc(F)c1 ZINC000040090881 174189441 /nfs/dbraw/zinc/18/94/41/174189441.db2.gz ACEGWKNVLBNOEM-UHFFFAOYSA-N 1 0 298.361 3.674 50 0 CHAARO CC(C)(C)C[NH2+]Cc1ccccc1Br ZINC000040492671 174292750 /nfs/dbraw/zinc/29/27/50/174292750.db2.gz GPRSFRMPWCKJJN-UHFFFAOYSA-N 1 0 256.187 3.585 50 0 CHAARO Cc1noc(C2CC[NH+]([C@H](C)CCc3ccccc3)CC2)n1 ZINC000053618220 175550128 /nfs/dbraw/zinc/55/01/28/175550128.db2.gz WXSYJTKNJBAICT-CQSZACIVSA-N 1 0 299.418 3.579 50 0 CHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000064666893 175697291 /nfs/dbraw/zinc/69/72/91/175697291.db2.gz MIXUPIYDGRFZDZ-MRXNPFEDSA-N 1 0 286.375 3.719 50 0 CHAARO c1ccc2c(c1)cccc2NCC[NH2+]C1CCCC1 ZINC000071771291 176262536 /nfs/dbraw/zinc/26/25/36/176262536.db2.gz IMSIFPXEXMTWPP-UHFFFAOYSA-N 1 0 254.377 3.784 50 0 CHAARO COc1ccccc1C(C)(C)[NH2+]Cc1cccs1 ZINC000071799216 176265529 /nfs/dbraw/zinc/26/55/29/176265529.db2.gz KCGYKJCSVURATN-UHFFFAOYSA-N 1 0 261.390 3.782 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc2c(c1)CCCC2 ZINC000071915085 176298698 /nfs/dbraw/zinc/29/86/98/176298698.db2.gz BXNHFDPJALZNFU-CYBMUJFWSA-N 1 0 285.387 3.502 50 0 CHAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000072146663 176324644 /nfs/dbraw/zinc/32/46/44/176324644.db2.gz HJJRMSMZQPZYJV-WGLAMXGCSA-N 1 0 264.372 3.932 50 0 CHAARO CSCCC[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000072159034 176329187 /nfs/dbraw/zinc/32/91/87/176329187.db2.gz JSHDMYLGPBKWIV-UHFFFAOYSA-N 1 0 276.405 3.527 50 0 CHAARO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1Br ZINC000072302962 176365557 /nfs/dbraw/zinc/36/55/57/176365557.db2.gz SXSHQFHMFUZTTD-JTQLQIEISA-N 1 0 279.181 3.628 50 0 CHAARO Cc1nc[nH]c1C[N@@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000077356827 177256932 /nfs/dbraw/zinc/25/69/32/177256932.db2.gz URFUKCXCUPOHGE-CQSZACIVSA-N 1 0 289.448 3.767 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000078737037 177379409 /nfs/dbraw/zinc/37/94/09/177379409.db2.gz PELAWPZXQLHADH-UHFFFAOYSA-N 1 0 299.418 3.638 50 0 CHAARO Cc1ccc(OCCCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000019815140 260114852 /nfs/dbraw/zinc/11/48/52/260114852.db2.gz CSBCZTFCHKVEHH-UHFFFAOYSA-N 1 0 297.826 3.530 50 0 CHAARO C[C@@H](c1cccc(-c2nccs2)c1)[NH+]1CCCC1 ZINC000534588890 328316730 /nfs/dbraw/zinc/31/67/30/328316730.db2.gz JYPBRSIMJFCMKU-LBPRGKRZSA-N 1 0 258.390 3.967 50 0 CHAARO Cc1noc(C)c1CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129793895 329528166 /nfs/dbraw/zinc/52/81/66/329528166.db2.gz DFPONRXTYWAOFY-NEPJUHHUSA-N 1 0 290.329 3.545 50 0 CHAARO O[C@H](C[NH2+]Cc1ccccc1)c1ccc2ccccc2c1 ZINC000037873777 333542099 /nfs/dbraw/zinc/54/20/99/333542099.db2.gz CTNYAHYHHWIJAG-LJQANCHMSA-N 1 0 277.367 3.663 50 0 CHAARO Fc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055211068 518196072 /nfs/dbraw/zinc/19/60/72/518196072.db2.gz KBRDRDNCEKUANR-GOSISDBHSA-N 1 0 278.330 3.809 50 0 CHAARO C[n+]1cccc([C@@H]2O[C@@H]3CCCC[C@H]3C3=CCCC[C@@H]32)c1 ZINC000245380113 525399242 /nfs/dbraw/zinc/39/92/42/525399242.db2.gz RSUINDYISXUKNH-OKYOBFRVSA-N 1 0 284.423 3.868 50 0 biogenic CHAARO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](C)c2ccsc2)cn1 ZINC000096478884 528577566 /nfs/dbraw/zinc/57/75/66/528577566.db2.gz FJBLTJLVJXQILC-OLZOCXBDSA-N 1 0 277.437 3.980 50 0 CHAARO CC(C)n1cc([C@H](C)[NH2+]C[C@H](C)c2ccsc2)cn1 ZINC000096478888 528578874 /nfs/dbraw/zinc/57/88/74/528578874.db2.gz FJBLTJLVJXQILC-STQMWFEESA-N 1 0 277.437 3.980 50 0 CHAARO C[C@@H]([NH2+]CC1(O)CCCCC1)c1cccc(Cl)c1 ZINC000014113701 567868449 /nfs/dbraw/zinc/86/84/49/567868449.db2.gz WJSWATFZAFNABR-GFCCVEGCSA-N 1 0 267.800 3.686 50 0 CHAARO CC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccc(C)c1 ZINC000036100749 567927963 /nfs/dbraw/zinc/92/79/63/567927963.db2.gz SCWOZDJLMWFEMI-QGZVFWFLSA-N 1 0 263.425 3.614 50 0 CHAARO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000070657884 570248764 /nfs/dbraw/zinc/24/87/64/570248764.db2.gz QRMYKNDQERPTPB-DTWKUNHWSA-N 1 0 292.242 3.586 50 0 CHAARO CCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000018937924 566829276 /nfs/dbraw/zinc/82/92/76/566829276.db2.gz WHXHLSDRIXDECB-KRWDZBQOSA-N 1 0 282.387 3.674 50 0 CHAARO CC[NH+](CC)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000082609091 566918558 /nfs/dbraw/zinc/91/85/58/566918558.db2.gz LBFZKTNUEFENLG-OAHLLOKOSA-N 1 0 292.423 3.594 50 0 CHAARO C[C@H]1[C@H](O)[C@@H](C)[C@H](c2cccs2)[NH2+][C@H]1c1cccs1 ZINC000239562561 566966676 /nfs/dbraw/zinc/96/66/76/566966676.db2.gz CPNYMZKNSCYTRC-DTIWESFOSA-N 1 0 293.457 3.828 50 0 CHAARO C[NH+]1CCC(SCc2cccc(Cl)c2)CC1 ZINC000002529354 566975255 /nfs/dbraw/zinc/97/52/55/566975255.db2.gz MRFFNOGKJUWALW-UHFFFAOYSA-N 1 0 255.814 3.667 50 0 CHAARO C[NH+](C)CCc1csc2ccc(Br)cc12 ZINC000002015365 566977394 /nfs/dbraw/zinc/97/73/94/566977394.db2.gz XEZUDHLQTMLRQR-UHFFFAOYSA-N 1 0 284.222 3.768 50 0 CHAARO ClC1(Cl)C[C@@H]1CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000521396164 566977511 /nfs/dbraw/zinc/97/75/11/566977511.db2.gz YJRWZUIZISCCAU-NWDGAFQWSA-N 1 0 288.222 3.521 50 0 CHAARO COc1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000426574900 566989061 /nfs/dbraw/zinc/98/90/61/566989061.db2.gz LSIJGZZGKPMGAC-UHFFFAOYSA-N 1 0 297.398 3.967 50 0 CHAARO CCc1nn(C)cc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426407711 566989275 /nfs/dbraw/zinc/98/92/75/566989275.db2.gz VTDIXGMAJSMPCP-CQSZACIVSA-N 1 0 283.419 3.806 50 0 CHAARO Cc1c(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)cnn1C ZINC000426739668 566991041 /nfs/dbraw/zinc/99/10/41/566991041.db2.gz HBKRVXGKBZJJND-CYBMUJFWSA-N 1 0 269.392 3.552 50 0 CHAARO CC(C)Oc1ccc(-c2ccc([C@H](C)[NH+](C)C)cc2)nn1 ZINC000426618353 566991873 /nfs/dbraw/zinc/99/18/73/566991873.db2.gz OOLRMDCSSNSKJS-ZDUSSCGKSA-N 1 0 285.391 3.553 50 0 CHAARO C([C@@H]1CO[C@]2(CC[C@H]3CCCC[C@H]3C2)O1)[NH+]1CCCCC1 ZINC000239432991 567009852 /nfs/dbraw/zinc/00/98/52/567009852.db2.gz XBGMCAWJVPHBRD-XMTFNYHQSA-N 1 0 293.451 3.574 50 0 CHAARO c1ccc(COCCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000170594611 567012551 /nfs/dbraw/zinc/01/25/51/567012551.db2.gz QTKDBLKBFNDMTE-MSOLQXFVSA-N 1 0 273.420 3.858 50 0 CHAARO COc1cccc2cc([C@@H](C)[NH2+]CCc3ccccn3)oc21 ZINC000089904627 567030794 /nfs/dbraw/zinc/03/07/94/567030794.db2.gz XFENJZSDFKBCJU-CYBMUJFWSA-N 1 0 296.370 3.730 50 0 CHAARO CCc1nnc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)o1 ZINC000090010473 567033446 /nfs/dbraw/zinc/03/34/46/567033446.db2.gz FZJSYQFZOPMDBE-INIZCTEOSA-N 1 0 299.418 3.619 50 0 CHAARO Clc1ccc([C@H]2CCN2Cc2cncs2)cc1 ZINC000093686011 567037099 /nfs/dbraw/zinc/03/70/99/567037099.db2.gz UNLZMDQOXGXYQX-CYBMUJFWSA-N 1 0 264.781 3.744 50 0 CHAARO CCc1cc(OCC[NH2+][C@@H](C)CC)ccc1Cl ZINC000002825170 567037129 /nfs/dbraw/zinc/03/71/29/567037129.db2.gz QYJNVIZLAAXPFB-NSHDSACASA-N 1 0 255.789 3.669 50 0 CHAARO CC(C)(O)c1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000193305050 567058470 /nfs/dbraw/zinc/05/84/70/567058470.db2.gz KBNFAQQVJJKJDE-MRXNPFEDSA-N 1 0 285.387 3.674 50 0 CHAARO C[C@@H](O)c1ncc(C[NH2+]C(C)(C)CC(C)(C)C)s1 ZINC000253428655 567098417 /nfs/dbraw/zinc/09/84/17/567098417.db2.gz KKRNRFRPOOWACG-SNVBAGLBSA-N 1 0 270.442 3.501 50 0 CHAARO CCCCC[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055242644 567112034 /nfs/dbraw/zinc/11/20/34/567112034.db2.gz LADNCHODXPRNJY-UHFFFAOYSA-N 1 0 290.455 3.763 50 0 CHAARO CCOc1cc(C[NH2+][C@@H](C)c2sccc2C)ccn1 ZINC000095420324 567131003 /nfs/dbraw/zinc/13/10/03/567131003.db2.gz JHNZYCWMJRDGGL-LBPRGKRZSA-N 1 0 276.405 3.701 50 0 CHAARO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccccc1Cl ZINC000095389746 567128559 /nfs/dbraw/zinc/12/85/59/567128559.db2.gz PVWOAYIOLDHXGL-OLZOCXBDSA-N 1 0 295.810 3.676 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000037898540 567136430 /nfs/dbraw/zinc/13/64/30/567136430.db2.gz YRIKOKYLMYMRBP-SECBINFHSA-N 1 0 283.297 3.588 50 0 CHAARO c1ccc(OCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000096027203 567138203 /nfs/dbraw/zinc/13/82/03/567138203.db2.gz ZLRJOCORTVYDKN-GOSISDBHSA-N 1 0 281.399 3.945 50 0 CHAARO C[C@@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)c1nccn1C ZINC000097038235 567142853 /nfs/dbraw/zinc/14/28/53/567142853.db2.gz NGZNXLOSGINMSB-CJNGLKHVSA-N 1 0 283.419 3.784 50 0 CHAARO CC(C)[C@H]([NH2+]CC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000057364670 567154883 /nfs/dbraw/zinc/15/48/83/567154883.db2.gz VFTLAMUROCIDIA-SFHVURJKSA-N 1 0 288.435 3.506 50 0 CHAARO CC1(C)[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000230241133 567160187 /nfs/dbraw/zinc/16/01/87/567160187.db2.gz BHQPCLLXCJPZFZ-ZSYWTGECSA-N 1 0 298.474 3.785 50 0 CHAARO CSc1ccc(CN(C)Cc2c(C)noc2C)cc1 ZINC000042364954 567204742 /nfs/dbraw/zinc/20/47/42/567204742.db2.gz DMAGEUDAURTNPL-UHFFFAOYSA-N 1 0 276.405 3.645 50 0 CHAARO C[NH+](C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000000113404 567818672 /nfs/dbraw/zinc/81/86/72/567818672.db2.gz SOYKEARSMXGVTM-HNNXBMFYSA-N 1 0 274.795 3.819 50 0 fda CHAARO C[NH+]1[C@@H](c2ccccc2)CC(C)(O)C[C@@H]1c1ccccc1 ZINC000000208439 567822162 /nfs/dbraw/zinc/82/21/62/567822162.db2.gz YKVNCLSIBPRPTL-QZTJIDSGSA-N 1 0 281.399 3.946 50 0 CHAARO COc1ccc(C[NH2+]C2CCCC2)c2ccccc12 ZINC000000227907 567822365 /nfs/dbraw/zinc/82/23/65/567822365.db2.gz HCQPAQGBXXJFMI-UHFFFAOYSA-N 1 0 255.361 3.881 50 0 CHAARO CN(Cc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000000214529 567822651 /nfs/dbraw/zinc/82/26/51/567822651.db2.gz WOXUBPXCLIAHSL-UHFFFAOYSA-N 1 0 287.234 3.519 50 0 CHAARO CC[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000001665862 567840858 /nfs/dbraw/zinc/84/08/58/567840858.db2.gz CBZIGGLPIYJLLU-KRWDZBQOSA-N 1 0 255.361 3.589 50 0 CHAARO c1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3CC2)cc1 ZINC000002036930 567843986 /nfs/dbraw/zinc/84/39/86/567843986.db2.gz WOFLJLUPWUTFQQ-UHFFFAOYSA-N 1 0 276.383 3.769 50 0 CHAARO Cc1cc(C)c2c(C[N@H+]3CCCC[C@H]3C)cc(=O)oc2c1 ZINC000002365317 567845621 /nfs/dbraw/zinc/84/56/21/567845621.db2.gz FOXGHKCOGKUNIR-CQSZACIVSA-N 1 0 285.387 3.784 50 0 biogenic CHAARO Clc1ccccc1OCCCC[NH+]1CCCC1 ZINC000002494190 567845847 /nfs/dbraw/zinc/84/58/47/567845847.db2.gz KFAYLGCSTUTEDG-UHFFFAOYSA-N 1 0 253.773 3.595 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@H](C)CCc1ccccc1 ZINC000002499334 567846147 /nfs/dbraw/zinc/84/61/47/567846147.db2.gz UXDWWQJZZSFTDA-HZPDHXFCSA-N 1 0 277.452 3.927 50 0 CHAARO COc1ccccc1CC[NH2+]Cc1cc(C)c(OC)cc1C ZINC000002737743 567849142 /nfs/dbraw/zinc/84/91/42/567849142.db2.gz BRKSGBGXOVANCL-UHFFFAOYSA-N 1 0 299.414 3.653 50 0 CHAARO Cc1cc(OCCOCC[NH+]2CCCC2)ccc1C(C)C ZINC000003002229 567851414 /nfs/dbraw/zinc/85/14/14/567851414.db2.gz DJXXAAZCZQAFBJ-UHFFFAOYSA-N 1 0 291.435 3.610 50 0 CHAARO Cc1cccc(Cn2cc(SC(N)=[NH2+])c3ccccc32)c1 ZINC000003866084 567854365 /nfs/dbraw/zinc/85/43/65/567854365.db2.gz PERJRHYDDWQNOK-UHFFFAOYSA-N 1 0 295.411 3.984 50 0 CHAARO CCCCCC[NH+]1CCN(c2ccccc2C)CC1 ZINC000004054451 567855170 /nfs/dbraw/zinc/85/51/70/567855170.db2.gz OPCVTJSKVZXGCZ-UHFFFAOYSA-N 1 0 260.425 3.697 50 0 CHAARO C[C@@H]([NH2+]C1CCCCC1)[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000004363342 567856907 /nfs/dbraw/zinc/85/69/07/567856907.db2.gz QHPUFCJLHPLOQB-JNEORBFBSA-N 1 0 291.479 3.875 50 0 CHAARO Clc1ccc(C[NH2+]Cc2ccccn2)cc1Cl ZINC000004413640 567857253 /nfs/dbraw/zinc/85/72/53/567857253.db2.gz DJSKSKCQEQMUQF-UHFFFAOYSA-N 1 0 267.159 3.678 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](CCOCCSc2ccccc2)C1 ZINC000004568469 567858117 /nfs/dbraw/zinc/85/81/17/567858117.db2.gz RHUQQLBVJSNVLJ-HZPDHXFCSA-N 1 0 293.476 3.773 50 0 CHAARO CC1(C)CC(NC(=O)CCC2CCCCC2)CC(C)(C)[NH2+]1 ZINC000012384374 567862875 /nfs/dbraw/zinc/86/28/75/567862875.db2.gz OOVIXRPCOCEOQR-UHFFFAOYSA-N 1 0 294.483 3.772 50 0 CHAARO Cc1ccc(/C(=C\C[NH+]2CCCC2)c2ccccn2)cc1 ZINC000012503099 567863542 /nfs/dbraw/zinc/86/35/42/567863542.db2.gz CBEQULMOCCWAQT-WOJGMQOQSA-N 1 0 278.399 3.918 50 0 fda CHAARO C[N@@H+]1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012575638 567863630 /nfs/dbraw/zinc/86/36/30/567863630.db2.gz KHRADFFRCSEJCH-GOSISDBHSA-N 1 0 279.383 3.878 50 0 CHAARO Cc1c(C)c(C)c(CSC2=[NH+]C[C@@H](C)N2)c(C)c1C ZINC000013464778 567866432 /nfs/dbraw/zinc/86/64/32/567866432.db2.gz CCMARQZPNDFALT-SECBINFHSA-N 1 0 276.449 3.810 50 0 CHAARO c1ccc(-c2ccc(COC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631116 567869451 /nfs/dbraw/zinc/86/94/51/567869451.db2.gz SLINNCCMERCMOC-KRWDZBQOSA-N 1 0 281.399 3.870 50 0 CHAARO c1ccc(-c2ccccc2OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631177 567869488 /nfs/dbraw/zinc/86/94/88/567869488.db2.gz NRIFYSHYGKWGQJ-OAHLLOKOSA-N 1 0 267.372 3.732 50 0 CHAARO c1ccc(-c2ccccc2OC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631175 567869549 /nfs/dbraw/zinc/86/95/49/567869549.db2.gz NRIFYSHYGKWGQJ-HNNXBMFYSA-N 1 0 267.372 3.732 50 0 CHAARO CCCC[NH2+]CCOCCOc1c(C)cc(C)cc1Cl ZINC000015659034 567871034 /nfs/dbraw/zinc/87/10/34/567871034.db2.gz NHWVXGAOIAMCIC-UHFFFAOYSA-N 1 0 299.842 3.742 50 0 CHAARO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccccc1C ZINC000016362745 567872721 /nfs/dbraw/zinc/87/27/21/567872721.db2.gz QWLZYLUPZAWJPB-UHFFFAOYSA-N 1 0 297.398 3.835 50 0 CHAARO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016606521 567873365 /nfs/dbraw/zinc/87/33/65/567873365.db2.gz XSDOUTCGNPXQDF-UHFFFAOYSA-N 1 0 294.398 3.537 50 0 CHAARO CC[C@@H]1CCCC[N@@H+]1CCCn1cnc2ccccc21 ZINC000019744732 567878849 /nfs/dbraw/zinc/87/88/49/567878849.db2.gz LXNQKACMCHMKRX-OAHLLOKOSA-N 1 0 271.408 3.691 50 0 CHAARO CCCC[NH2+][C@H](C)c1ccccc1Br ZINC000019907006 567879515 /nfs/dbraw/zinc/87/95/15/567879515.db2.gz PDCQELOYFSUYFS-SNVBAGLBSA-N 1 0 256.187 3.900 50 0 CHAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccncc1 ZINC000012383632 567881179 /nfs/dbraw/zinc/88/11/79/567881179.db2.gz XCSLLFAMNYONRR-LBPRGKRZSA-N 1 0 294.320 3.821 50 0 CHAARO OC[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000023115014 567881683 /nfs/dbraw/zinc/88/16/83/567881683.db2.gz JIFACQLQJFFQTP-KRWDZBQOSA-N 1 0 297.398 3.683 50 0 CHAARO Cc1sc2ncnc(Nc3ccc(N(C)C)nc3)c2c1C ZINC000023618955 567881836 /nfs/dbraw/zinc/88/18/36/567881836.db2.gz ZGMUSGZFUJSJGC-UHFFFAOYSA-N 1 0 299.403 3.513 50 0 CHAARO Nc1cccc(C2([NH+]3CCCCC3)CCCCC2)c1 ZINC000030834181 567884764 /nfs/dbraw/zinc/88/47/64/567884764.db2.gz NKXACTXBEKZFQY-UHFFFAOYSA-N 1 0 258.409 3.914 50 0 CHAARO CC(C)Oc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000032108818 567885417 /nfs/dbraw/zinc/88/54/17/567885417.db2.gz GMFWDAXLAJXTNA-UHFFFAOYSA-N 1 0 255.361 3.764 50 0 CHAARO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000000237950 567887244 /nfs/dbraw/zinc/88/72/44/567887244.db2.gz ZAHBOYXTZKYJPO-GOSISDBHSA-N 1 0 297.398 3.757 50 0 CHAARO c1cncc([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)OCO3)c1 ZINC000000366813 567887270 /nfs/dbraw/zinc/88/72/70/567887270.db2.gz CMRZIZXFAXBMRS-MRXNPFEDSA-N 1 0 296.370 3.538 50 0 biogenic CHAARO Clc1cccc(OCCCCCC[NH+]2CCOCC2)c1 ZINC000023115491 567888083 /nfs/dbraw/zinc/88/80/83/567888083.db2.gz JOKZBFHWXMPALV-UHFFFAOYSA-N 1 0 297.826 3.611 50 0 CHAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc2ccccc2c1 ZINC000022078281 567888427 /nfs/dbraw/zinc/88/84/27/567888427.db2.gz RUZOSVXUXMDZIJ-HNAYVOBHSA-N 1 0 280.415 3.508 50 0 CHAARO Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@H](C[NH3+])C2 ZINC000166914052 567888850 /nfs/dbraw/zinc/88/88/50/567888850.db2.gz WBTNRMHSXCWUEO-AWEZNQCLSA-N 1 0 273.763 3.578 50 0 CHAARO CC[C@H](C)c1cc(Cl)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042771124 567891572 /nfs/dbraw/zinc/89/15/72/567891572.db2.gz QZAHRHHMKIMSBB-NWDGAFQWSA-N 1 0 267.800 3.842 50 0 CHAARO CC[C@H](C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042770846 567891619 /nfs/dbraw/zinc/89/16/19/567891619.db2.gz NVBHDMFJYNJPOP-RYUDHWBXSA-N 1 0 267.800 3.842 50 0 CHAARO CC[C@@H](C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773215 567891654 /nfs/dbraw/zinc/89/16/54/567891654.db2.gz QRBPPUWAVHFXJH-CABCVRRESA-N 1 0 261.409 3.969 50 0 CHAARO CC(C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775007 567891955 /nfs/dbraw/zinc/89/19/55/567891955.db2.gz UZDIUJBBMINLGU-GFCCVEGCSA-N 1 0 253.773 3.594 50 0 CHAARO Cc1ccc(Cl)c2sc(NCCC[NH+](C)C)nc21 ZINC000056900944 567894659 /nfs/dbraw/zinc/89/46/59/567894659.db2.gz RJBOKSJJDFGIGM-UHFFFAOYSA-N 1 0 283.828 3.622 50 0 CHAARO CC(C)(C[NH2+]Cc1cccs1)c1ccc2c(c1)OCO2 ZINC000058476254 567896023 /nfs/dbraw/zinc/89/60/23/567896023.db2.gz BHTVGGYXLKHVAX-UHFFFAOYSA-N 1 0 289.400 3.544 50 0 CHAARO CCc1nc(C)c([C@H](C)[N@H+](C)CCc2ccccn2)s1 ZINC000096424499 567897028 /nfs/dbraw/zinc/89/70/28/567897028.db2.gz GWJJNDTZEWSBMC-ZDUSSCGKSA-N 1 0 289.448 3.644 50 0 CHAARO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C3OCCO3)cc2)c1 ZINC000096477581 567897518 /nfs/dbraw/zinc/89/75/18/567897518.db2.gz ANROPBYYWSNQDY-OAHLLOKOSA-N 1 0 297.398 3.891 50 0 CHAARO CCc1cc([C@@H]2CCCN2Cc2ccc(F)c(F)c2)on1 ZINC000064666924 567897909 /nfs/dbraw/zinc/89/79/09/567897909.db2.gz BBNQPNYPCTUXMJ-HNNXBMFYSA-N 1 0 292.329 3.852 50 0 CHAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2)on1 ZINC000064667032 567898149 /nfs/dbraw/zinc/89/81/49/567898149.db2.gz BAUNFNWNRAVJEJ-MRXNPFEDSA-N 1 0 270.376 3.883 50 0 CHAARO COc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)c(C)c1C ZINC000065429822 567898873 /nfs/dbraw/zinc/89/88/73/567898873.db2.gz GIVSZZCCKXCVCK-OAHLLOKOSA-N 1 0 284.403 3.900 50 0 CHAARO C[C@H](CC(F)(F)F)[NH2+]CCCn1ccc2ccccc21 ZINC000065490645 567899535 /nfs/dbraw/zinc/89/95/35/567899535.db2.gz KCUMSQDWKIEMTP-GFCCVEGCSA-N 1 0 284.325 3.962 50 0 CHAARO C[C@H](c1cccc(-c2nccn2Cc2ccoc2)c1)[NH+](C)C ZINC000067804457 567900682 /nfs/dbraw/zinc/90/06/82/567900682.db2.gz JWWNUKHQIDSZMC-CQSZACIVSA-N 1 0 295.386 3.814 50 0 CHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCCC1 ZINC000067868543 567900721 /nfs/dbraw/zinc/90/07/21/567900721.db2.gz QYKNYGFGNHALOR-UHFFFAOYSA-N 1 0 276.767 3.899 50 0 CHAARO CC[NH+](CC)C[C@H](Oc1ccccn1)c1ccccc1 ZINC000071771059 567901670 /nfs/dbraw/zinc/90/16/70/567901670.db2.gz SWJTZDLEPSTKBS-INIZCTEOSA-N 1 0 270.376 3.544 50 0 CHAARO Cn1nc(-c2cccc3c2CC[NH2+]C3)c2c1cccc2Cl ZINC000071753199 567901797 /nfs/dbraw/zinc/90/17/97/567901797.db2.gz ANSMPCMVHRMQDF-UHFFFAOYSA-N 1 0 297.789 3.539 50 0 CHAARO Nc1cc(C[NH+]2CCCCC2)ccc1NC1CCCCC1 ZINC000071788744 567902170 /nfs/dbraw/zinc/90/21/70/567902170.db2.gz NXHYXQLSKRIYMT-UHFFFAOYSA-N 1 0 287.451 3.999 50 0 CHAARO COc1ccc2c(c1)CC[NH2+][C@@H]2Cc1c[nH]c2ccccc12 ZINC000071772028 567902232 /nfs/dbraw/zinc/90/22/32/567902232.db2.gz SDWUNMAJTAEURG-LJQANCHMSA-N 1 0 292.382 3.606 50 0 CHAARO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C)o1 ZINC000097111291 567904501 /nfs/dbraw/zinc/90/45/01/567904501.db2.gz RFTWKCWWIXIVSH-CQSZACIVSA-N 1 0 286.375 3.576 50 0 CHAARO C[C@H]1C[C@H]([N@H+](C)C2CCC2)CCN1Cc1ccccc1 ZINC000095441672 567907949 /nfs/dbraw/zinc/90/79/49/567907949.db2.gz AGYDJTMPFLQYCT-MAUKXSAKSA-N 1 0 272.436 3.524 50 0 CHAARO Cc1ccc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000016247762 567908470 /nfs/dbraw/zinc/90/84/70/567908470.db2.gz MPQYZXUZHVKOLR-CALCHBBNSA-N 1 0 291.435 3.572 50 0 CHAARO CCCCn1ccnc1[C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000095501298 567909580 /nfs/dbraw/zinc/90/95/80/567909580.db2.gz QHYUBBHYKCDBHU-MRXNPFEDSA-N 1 0 298.434 3.771 50 0 CHAARO CCOc1ccccc1-c1cccc2c(N)cc[nH+]c21 ZINC000096162696 567909721 /nfs/dbraw/zinc/90/97/21/567909721.db2.gz CPZOILPSPZPHGK-UHFFFAOYSA-N 1 0 264.328 3.883 50 0 CHAARO COC[C@H]1CCCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000097173100 567910532 /nfs/dbraw/zinc/91/05/32/567910532.db2.gz HJHSVVSVRROGCZ-CYBMUJFWSA-N 1 0 287.325 3.706 50 0 CHAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1ccc2cc(O)ccc2c1 ZINC000097402546 567910584 /nfs/dbraw/zinc/91/05/84/567910584.db2.gz ZTKNYLCGKHANGY-IBGZPJMESA-N 1 0 299.414 3.936 50 0 CHAARO C[N@H+](Cc1ccncc1)C[C@]1(c2ccccc2)CC1(C)C ZINC000097679874 567911125 /nfs/dbraw/zinc/91/11/25/567911125.db2.gz IMXZNFFBZJNWLL-IBGZPJMESA-N 1 0 280.415 3.881 50 0 CHAARO C[C@H]([NH2+]CCc1c(Cl)cccc1Cl)c1cc[nH]n1 ZINC000253415947 567930580 /nfs/dbraw/zinc/93/05/80/567930580.db2.gz OBWSIRBKSYTXCR-VIFPVBQESA-N 1 0 284.190 3.610 50 0 CHAARO Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000300271911 567932145 /nfs/dbraw/zinc/93/21/45/567932145.db2.gz KAHOWODVHWFFNT-RDJZCZTQSA-N 1 0 293.838 3.775 50 0 CHAARO c1ccc2c(c1)cccc2OCC[NH2+]C1CCCC1 ZINC000002839778 567937823 /nfs/dbraw/zinc/93/78/23/567937823.db2.gz DPCRBPJMUCVGJS-UHFFFAOYSA-N 1 0 255.361 3.751 50 0 CHAARO CC1(C)C[C@H]([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)CCO1 ZINC000000518096 567941854 /nfs/dbraw/zinc/94/18/54/567941854.db2.gz TYMZPQWLYHQVOT-MLGOLLRUSA-N 1 0 284.403 3.560 50 0 biogenic CHAARO Clc1ccc(-c2noc(C[NH2+]C3CCCCC3)n2)cc1 ZINC000000564333 567943156 /nfs/dbraw/zinc/94/31/56/567943156.db2.gz JWDQLCCXEICILF-UHFFFAOYSA-N 1 0 291.782 3.812 50 0 CHAARO CC[N@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCCCO1 ZINC000214973575 567947098 /nfs/dbraw/zinc/94/70/98/567947098.db2.gz RERULZSSIZXLMV-FUTAKVPZSA-N 1 0 277.383 3.730 50 0 CHAARO C[C@H](C[NH+]1CCC(CCn2cccn2)CC1)c1ccccc1 ZINC000214994101 567947106 /nfs/dbraw/zinc/94/71/06/567947106.db2.gz NSVKNNZLVWCAKZ-QGZVFWFLSA-N 1 0 297.446 3.789 50 0 CHAARO C[N@H+](CCC1(O)CCCC1)Cc1ccc(F)cc1Cl ZINC000215941621 567947376 /nfs/dbraw/zinc/94/73/76/567947376.db2.gz LSXLMOPDGGNWRX-UHFFFAOYSA-N 1 0 285.790 3.606 50 0 CHAARO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000014948486 567947483 /nfs/dbraw/zinc/94/74/83/567947483.db2.gz PDAGBMTYJUVFNL-KRWDZBQOSA-N 1 0 298.361 3.525 50 0 CHAARO CC/C=C\CCC[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000216189628 567947582 /nfs/dbraw/zinc/94/75/82/567947582.db2.gz XYVUIDKUDVXZHN-ARJAWSKDSA-N 1 0 269.392 3.709 50 0 CHAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccc(F)cc1 ZINC000000819065 567948399 /nfs/dbraw/zinc/94/83/99/567948399.db2.gz XPSRUGOLYCOXIS-UHFFFAOYSA-N 1 0 281.334 3.838 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000025313236 570230208 /nfs/dbraw/zinc/23/02/08/570230208.db2.gz HAKRYOXOWKFMBE-SJCJKPOMSA-N 1 0 298.386 3.651 50 0 CHAARO CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000095416505 570239622 /nfs/dbraw/zinc/23/96/22/570239622.db2.gz BLMPJVSNARHEEK-UHFFFAOYSA-N 1 0 296.414 3.586 50 0 CHAARO CC[C@H](C)[N@H+](Cc1cnc(C)[nH]1)Cc1ccc(C)cc1 ZINC000055099136 570240344 /nfs/dbraw/zinc/24/03/44/570240344.db2.gz MOPYQLMODYTHTA-AWEZNQCLSA-N 1 0 271.408 3.827 50 0 CHAARO c1ncc(C[N@H+](Cc2cccnc2)C2CCCCCC2)[nH]1 ZINC000055244317 570242169 /nfs/dbraw/zinc/24/21/69/570242169.db2.gz SWALPQOLLDSOIN-UHFFFAOYSA-N 1 0 284.407 3.530 50 0 CHAARO CCn1cc(C[N@@H+](Cc2sccc2C)CC(C)C)cn1 ZINC000055253705 570242208 /nfs/dbraw/zinc/24/22/08/570242208.db2.gz YJPMERUOSFJUCF-UHFFFAOYSA-N 1 0 291.464 3.931 50 0 CHAARO CC[C@@H](C)[N@H+](CCCn1nc(C)cc1C)C1CCCC1 ZINC000055357814 570242768 /nfs/dbraw/zinc/24/27/68/570242768.db2.gz VBXMEALEEPUNBG-OAHLLOKOSA-N 1 0 277.456 3.933 50 0 CHAARO CCOc1ccc(-c2c[nH]c([C@@H]3CCC[N@H+](CC)C3)n2)cc1 ZINC000065532427 570244519 /nfs/dbraw/zinc/24/45/19/570244519.db2.gz DJQGWINQHDPQGM-OAHLLOKOSA-N 1 0 299.418 3.675 50 0 CHAARO CCOc1cc2c(cc1OCC)[C@@H]([C@H](C)CC)[NH2+]CC2 ZINC000000141636 570269546 /nfs/dbraw/zinc/26/95/46/570269546.db2.gz IOEDBYAFSCGWPC-SJKOYZFVSA-N 1 0 277.408 3.717 50 0 CHAARO COCC[NH2+]CCCCOc1ccc(C(C)(C)C)cc1C ZINC000003002168 570278661 /nfs/dbraw/zinc/27/86/61/570278661.db2.gz JNNFKZDVGSYCTJ-UHFFFAOYSA-N 1 0 293.451 3.688 50 0 CHAARO C[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000048374201 570298120 /nfs/dbraw/zinc/29/81/20/570298120.db2.gz WYSKBNRMMKGVDI-NSHDSACASA-N 1 0 262.378 3.635 50 0 CHAARO CC1=CCN(Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000215237245 570302295 /nfs/dbraw/zinc/30/22/95/570302295.db2.gz JPXRHLUANKHGAH-UHFFFAOYSA-N 1 0 271.408 3.676 50 0 CHAARO Cc1ccc(CN(Cc2ccncc2)C2CC2)c(F)c1F 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C/C=C\c1ccc(OCC[NH2+]Cc2ccccc2)c(OC)c1 ZINC000033457244 1128531478 /nfs/dbraw/zinc/53/14/78/1128531478.db2.gz SUCUNRLYKAJRLQ-CLTKARDFSA-N 1 0 297.398 3.897 50 0 CHAARO Cc1ncsc1C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000863982470 1128709343 /nfs/dbraw/zinc/70/93/43/1128709343.db2.gz OCPLAMBIZVCFPT-LLVKDONJSA-N 1 0 290.432 3.530 50 0 CHAARO O[C@@H](C[N@H+]1CC=C(Cc2ccccc2)CC1)c1ccccc1 ZINC000002491003 1118570419 /nfs/dbraw/zinc/57/04/19/1118570419.db2.gz CCDMAYQKTKHVBW-FQEVSTJZSA-N 1 0 293.410 3.595 50 0 CHAARO Clc1ccccc1OCCCCC[NH+]1CCCC1 ZINC000002497258 1118573520 /nfs/dbraw/zinc/57/35/20/1118573520.db2.gz LTOBVMVLWUNVSJ-UHFFFAOYSA-N 1 0 267.800 3.985 50 0 CHAARO COc1ccc(OCCCCCC[NH+]2CCCC2)cc1 ZINC000002880639 1119128987 /nfs/dbraw/zinc/12/89/87/1119128987.db2.gz OQQHYQGKATXREE-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 CHAARO CCCc1noc(CN(CC)Cc2ccc3[nH]ccc3c2)n1 ZINC000252490252 1119531565 /nfs/dbraw/zinc/53/15/65/1119531565.db2.gz KNCIQUFSSCWWLU-UHFFFAOYSA-N 1 0 298.390 3.526 50 0 CHAARO Fc1cccc(CC[NH2+]Cc2c[nH]c3ccccc23)c1 ZINC000023634730 1119996331 /nfs/dbraw/zinc/99/63/31/1119996331.db2.gz RJUSNZQECRJRKH-UHFFFAOYSA-N 1 0 268.335 3.639 50 0 CHAARO CCCC1(O)CCN(c2cc(CC)[nH+]c3ccccc32)CC1 ZINC000952845905 1120046549 /nfs/dbraw/zinc/04/65/49/1120046549.db2.gz JJYLNTSNHLVJCG-UHFFFAOYSA-N 1 0 298.430 3.929 50 0 CHAARO CO[C@@H](c1ccc(-c2ccc(OC3CC3)cc2)cc1)[C@@H](C)[NH3+] ZINC000530247859 1120194196 /nfs/dbraw/zinc/19/41/96/1120194196.db2.gz COUIYKURHYAXKY-BFUOFWGJSA-N 1 0 297.398 3.930 50 0 CHAARO CCC(=O)O[C@]1(c2ccccc2)CC(C)(C)[N@H+](C)C[C@@H]1C ZINC000034134160 1120319436 /nfs/dbraw/zinc/31/94/36/1120319436.db2.gz XFKGFNCFBQCDRO-KBXCAEBGSA-N 1 0 289.419 3.585 50 0 CHAARO CC[C@@H](C)C[N@H+]1Cc2cc(OC)ccc2O[C@H](CC)C1 ZINC000014955869 1120976824 /nfs/dbraw/zinc/97/68/24/1120976824.db2.gz JHLFCHDHYLMVMS-UKRRQHHQSA-N 1 0 277.408 3.714 50 0 CHAARO Cc1ncsc1C[NH2+][C@@H](C)CC[C@@H]1CC1(Cl)Cl ZINC000888098625 1121085251 /nfs/dbraw/zinc/08/52/51/1121085251.db2.gz LYWUKFHPZQCABQ-WCBMZHEXSA-N 1 0 293.263 3.904 50 0 CHAARO Cc1ccc(SCCC[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000244659669 1121469721 /nfs/dbraw/zinc/46/97/21/1121469721.db2.gz HGVAYXOUYFFBBI-MRXNPFEDSA-N 1 0 293.476 3.836 50 0 CHAARO CCc1cccc(CC)c1[C@@H](OCC[NH2+]C)c1ccccn1 ZINC000252488615 1121652947 /nfs/dbraw/zinc/65/29/47/1121652947.db2.gz IVPBUMRCYPAPAN-IBGZPJMESA-N 1 0 298.430 3.532 50 0 CHAARO c1ccc(C[N@@H+]2C[C@@H]3C[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000585138538 1131325039 /nfs/dbraw/zinc/32/50/39/1131325039.db2.gz ZBAUXQDRYYCZQY-OTWHNJEPSA-N 1 0 263.384 3.922 50 0 CHAARO COCC[N@H+](C)C[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000223293887 1125440102 /nfs/dbraw/zinc/44/01/02/1125440102.db2.gz GYGHYNOHVSRLMP-IBGZPJMESA-N 1 0 295.426 3.571 50 0 CHAARO Cn1ccc2cc(C[N@H+](C)CCC[C@@H]3CCCO3)ccc21 ZINC000823709289 1129270262 /nfs/dbraw/zinc/27/02/62/1129270262.db2.gz ULIJCOMXOQCLBN-QGZVFWFLSA-N 1 0 286.419 3.569 50 0 CHAARO Cc1cc2cc(NC(=O)[C@H]3CCCCC[N@H+]3C)ccc2o1 ZINC000825151498 1129314485 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C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc2ccccc2o1 ZINC000097017281 230386393 /nfs/dbraw/zinc/38/63/93/230386393.db2.gz PAGPGXUBBRAEQD-XGINMYPSSA-N 1 0 293.366 3.742 50 0 CHAARO Cc1cccc(OC2CC[NH+]([C@H](C)CC(C)C)CC2)n1 ZINC000095940898 185035974 /nfs/dbraw/zinc/03/59/74/185035974.db2.gz SDLUAMAXPNDGFB-OAHLLOKOSA-N 1 0 276.424 3.668 50 0 CHAARO CC(C)c1ccc(CC[N@H+](C)CC2CCOCC2)cc1 ZINC000095945462 185037971 /nfs/dbraw/zinc/03/79/71/185037971.db2.gz XGFDBQVBLVFEEF-UHFFFAOYSA-N 1 0 275.436 3.711 50 0 CHAARO CC[NH+](CC)CCS[C@H](C)c1ccccc1F ZINC000095964354 185044850 /nfs/dbraw/zinc/04/48/50/185044850.db2.gz ZAQUNWYBSCWSNI-GFCCVEGCSA-N 1 0 255.402 3.962 50 0 CHAARO CSc1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1F ZINC000095967083 185046776 /nfs/dbraw/zinc/04/67/76/185046776.db2.gz YVCQDNKZKHDUTQ-NSHDSACASA-N 1 0 276.380 3.793 50 0 CHAARO Cc1ccc([C@H](C)[NH2+]CCc2ncc(C)s2)s1 ZINC000095968532 185047621 /nfs/dbraw/zinc/04/76/21/185047621.db2.gz SVXPDOZJOSRSFS-NSHDSACASA-N 1 0 266.435 3.715 50 0 CHAARO COc1ccc([C@H](C)[NH2+]Cc2sc(C)nc2C)c(F)c1 ZINC000095968555 185047967 /nfs/dbraw/zinc/04/79/67/185047967.db2.gz UOUUWZFFKDKRBH-VIFPVBQESA-N 1 0 294.395 3.758 50 0 CHAARO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccs2)C2CC2)C12CCC2 ZINC000095987958 185057020 /nfs/dbraw/zinc/05/70/20/185057020.db2.gz PGEDMXQKTUGDRT-BFHYXJOUSA-N 1 0 292.448 3.532 50 0 CHAARO CC(C)[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2)CCO1 ZINC000095995476 185060718 /nfs/dbraw/zinc/06/07/18/185060718.db2.gz PNOBLPFZYWHWHJ-DLBZAZTESA-N 1 0 261.409 3.570 50 0 CHAARO CC1(C)[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)C[C@@H]1c1ccccc1 ZINC000096009160 185064163 /nfs/dbraw/zinc/06/41/63/185064163.db2.gz BHQPCLLXCJPZFZ-NCXUSEDFSA-N 1 0 298.474 3.785 50 0 CHAARO CN1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000096028205 185067602 /nfs/dbraw/zinc/06/76/02/185067602.db2.gz CENKYMQRVLVTLY-SFHVURJKSA-N 1 0 262.356 3.745 50 0 CHAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c(=O)[nH]n1 ZINC000096138564 185105995 /nfs/dbraw/zinc/10/59/95/185105995.db2.gz UBUYMQKEJJDGLK-AWEZNQCLSA-N 1 0 297.402 3.705 50 0 CHAARO Fc1cccc(-c2nc3c([nH]2)C[N@@H+](C2CCCC2)CC3)c1 ZINC000097717363 185655259 /nfs/dbraw/zinc/65/52/59/185655259.db2.gz KTKCGAVGNAXQHO-UHFFFAOYSA-N 1 0 285.366 3.517 50 0 CHAARO Cc1cc(C[NH2+]C(C)(C)C)ccc1Br ZINC000085706588 179121220 /nfs/dbraw/zinc/12/12/20/179121220.db2.gz CKQUWEQHRLRMJY-UHFFFAOYSA-N 1 0 256.187 3.646 50 0 CHAARO C[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000091948682 180291557 /nfs/dbraw/zinc/29/15/57/180291557.db2.gz ZZMCLATYQHHCON-JTQLQIEISA-N 1 0 254.171 3.606 50 0 CHAARO Cc1ccc2cc(C[NH2+]CCC[C@@H]3CCC[C@@H]3O)ccc2n1 ZINC000225464940 189753232 /nfs/dbraw/zinc/75/32/32/189753232.db2.gz RTJZBTCZMSASQC-LPHOPBHVSA-N 1 0 298.430 3.574 50 0 CHAARO Clc1ccc(CN2CCCC2)cc1Br ZINC000258237816 190037977 /nfs/dbraw/zinc/03/79/77/190037977.db2.gz ZLMXYCIGXWQKOG-UHFFFAOYSA-N 1 0 274.589 3.698 50 0 CHAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000000176529 169564913 /nfs/dbraw/zinc/56/49/13/169564913.db2.gz MHSVFLHMGULLSY-STQMWFEESA-N 1 0 294.826 3.647 50 0 CHAARO Cc1cc(C)cc(NC(=O)CC[NH+]2CCCCCC2)c1 ZINC000000178141 169565186 /nfs/dbraw/zinc/56/51/86/169565186.db2.gz AIKUXXXVSWMZHI-UHFFFAOYSA-N 1 0 274.408 3.508 50 0 CHAARO CC(C)(C)[NH2+]CCCCOc1ccccc1Cl ZINC000002898274 169842693 /nfs/dbraw/zinc/84/26/93/169842693.db2.gz YDXLLGOFDZIIKT-UHFFFAOYSA-N 1 0 255.789 3.887 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1OC ZINC000004021998 184528273 /nfs/dbraw/zinc/52/82/73/184528273.db2.gz DBBKYSFKMHTXAC-OFQRWUPVSA-N 1 0 291.435 3.803 50 0 CHAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC(C)C)cc1 ZINC000095419179 184975436 /nfs/dbraw/zinc/97/54/36/184975436.db2.gz QPMYKJBLNHOUGR-CQSZACIVSA-N 1 0 271.408 3.877 50 0 CHAARO C[C@@H]([NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001433096 169705532 /nfs/dbraw/zinc/70/55/32/169705532.db2.gz PFVWEAYXWZFSSK-RXMQYKEDSA-N 1 0 257.177 3.744 50 0 CHAARO CCc1ccccc1OCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002821932 169834857 /nfs/dbraw/zinc/83/48/57/169834857.db2.gz FXIYMLSHBZTYLT-HZPDHXFCSA-N 1 0 275.436 3.996 50 0 CHAARO CC[C@@H](C)c1ccccc1OCCCC[NH2+]CCCOC ZINC000003002087 169848900 /nfs/dbraw/zinc/84/89/00/169848900.db2.gz LZOZNMDBQXWNEN-MRXNPFEDSA-N 1 0 293.451 3.985 50 0 CHAARO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004240018 169947355 /nfs/dbraw/zinc/94/73/55/169947355.db2.gz UIIDLHTYIPNMEH-UHFFFAOYSA-N 1 0 271.404 3.754 50 0 CHAARO COc1ccc2ccccc2c1C[NH2+]CCCOC(C)C ZINC000004695063 170000270 /nfs/dbraw/zinc/00/02/70/170000270.db2.gz CQLPVGFZNCMEIZ-UHFFFAOYSA-N 1 0 287.403 3.753 50 0 CHAARO COc1ccccc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000004817056 170022910 /nfs/dbraw/zinc/02/29/10/170022910.db2.gz NKUSQXVRDAGVMH-KRWDZBQOSA-N 1 0 267.372 3.862 50 0 CHAARO CCCCOc1ccccc1OCC[NH2+]Cc1ccco1 ZINC000004842216 170028447 /nfs/dbraw/zinc/02/84/47/170028447.db2.gz JHLPDOZTRLNRMC-UHFFFAOYSA-N 1 0 289.375 3.627 50 0 CHAARO C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004842372 170028557 /nfs/dbraw/zinc/02/85/57/170028557.db2.gz QRXLTSBBBBLZAZ-UHFFFAOYSA-N 1 0 256.132 3.973 50 0 CHAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004871451 170034876 /nfs/dbraw/zinc/03/48/76/170034876.db2.gz GCGMLBYPUYKAJU-ZIAGYGMSSA-N 1 0 298.430 3.945 50 0 CHAARO CCN(CC)c1nc(Nc2cc[nH+]cc2)nc2ccccc21 ZINC000004934867 170042323 /nfs/dbraw/zinc/04/23/23/170042323.db2.gz VZMRLUBYFHOMSY-UHFFFAOYSA-N 1 0 293.374 3.615 50 0 CHAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C(C)(C)C)o2)cc1 ZINC000004942984 170043578 /nfs/dbraw/zinc/04/35/78/170043578.db2.gz JKAOLJRLHBQLCE-GFCCVEGCSA-N 1 0 273.376 3.888 50 0 CHAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C(C)(C)C)o2)cc1 ZINC000004942983 170043727 /nfs/dbraw/zinc/04/37/27/170043727.db2.gz JKAOLJRLHBQLCE-LBPRGKRZSA-N 1 0 273.376 3.888 50 0 CHAARO Clc1cccc(OCC[NH+]2CCCCC2)c1Cl ZINC000005023909 170057085 /nfs/dbraw/zinc/05/70/85/170057085.db2.gz HFGDSKFNCLEQQM-UHFFFAOYSA-N 1 0 274.191 3.858 50 0 CHAARO CCOc1ccc(Br)cc1C[NH2+]CC(C)C ZINC000005065212 170063161 /nfs/dbraw/zinc/06/31/61/170063161.db2.gz NPITVZWRECOFCS-UHFFFAOYSA-N 1 0 286.213 3.593 50 0 CHAARO C[NH2+][C@H](C)Cc1ccccc1Sc1ccc(OC)cc1 ZINC000005371706 170090390 /nfs/dbraw/zinc/09/03/90/170090390.db2.gz LMOYFNNOXLRLDZ-CYBMUJFWSA-N 1 0 287.428 3.997 50 0 CHAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCCCC1 ZINC000005671410 170126500 /nfs/dbraw/zinc/12/65/00/170126500.db2.gz XLZBKUTZTMHYJM-AWEZNQCLSA-N 1 0 282.387 3.653 50 0 CHAARO C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000005910019 170153847 /nfs/dbraw/zinc/15/38/47/170153847.db2.gz WAXXEZNURJVVLS-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cn2ccc(Cl)cc2n1 ZINC000006382450 170196698 /nfs/dbraw/zinc/19/66/98/170196698.db2.gz RVOOYRHXMVJKKP-VXGBXAGGSA-N 1 0 277.799 3.751 50 0 CHAARO c1csc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000006600478 170217779 /nfs/dbraw/zinc/21/77/79/170217779.db2.gz YYKKOYCTVRVFSR-UHFFFAOYSA-N 1 0 286.444 3.502 50 0 CHAARO C[NH+](C)Cc1cccc(Sc2cccc(O)c2)c1 ZINC000006637802 170220934 /nfs/dbraw/zinc/22/09/34/170220934.db2.gz AGWYILYRZKULHN-UHFFFAOYSA-N 1 0 259.374 3.605 50 0 CHAARO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC ZINC000008254361 170327464 /nfs/dbraw/zinc/32/74/64/170327464.db2.gz SFQZCSWLLPOORE-UHFFFAOYSA-N 1 0 289.350 3.523 50 0 CHAARO CC(C)[C@@H]([NH2+]C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000008401974 170334950 /nfs/dbraw/zinc/33/49/50/170334950.db2.gz AYHGYGJGAVPTSF-QGZVFWFLSA-N 1 0 275.392 3.687 50 0 CHAARO Cc1cc2nc(-c3ccc(C[NH3+])cc3)oc2cc1C ZINC000008732291 170351704 /nfs/dbraw/zinc/35/17/04/170351704.db2.gz YMPJPHHKQZEVRB-UHFFFAOYSA-N 1 0 252.317 3.570 50 0 CHAARO CCn1cc(/C=C\c2cc[n+](C)cc2)c2cc(OC)ccc21 ZINC000008744392 170353471 /nfs/dbraw/zinc/35/34/71/170353471.db2.gz ZSNFBABAZONAQY-UHFFFAOYSA-N 1 0 293.390 3.665 50 0 CHAARO CCn1cc(/C=C/c2cc[n+](C)cc2)c2ccc(OC)cc21 ZINC000009343729 170373751 /nfs/dbraw/zinc/37/37/51/170373751.db2.gz UVCKPJHILSLTGA-UHFFFAOYSA-N 1 0 293.390 3.665 50 0 CHAARO Clc1cccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000009722559 170385041 /nfs/dbraw/zinc/38/50/41/170385041.db2.gz PVHYGQMFJZLFIW-CHWSQXEVSA-N 1 0 280.824 3.844 50 0 CHAARO CC(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000010435797 170406679 /nfs/dbraw/zinc/40/66/79/170406679.db2.gz GJFHHAVVENAMHT-UHFFFAOYSA-N 1 0 255.361 3.764 50 0 CHAARO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000019761421 170855068 /nfs/dbraw/zinc/85/50/68/170855068.db2.gz AQLJPIVUCCPIHH-IRXDYDNUSA-N 1 0 294.483 3.606 50 0 CHAARO Cc1ccccc1CN1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000019789331 170867472 /nfs/dbraw/zinc/86/74/72/170867472.db2.gz JJINYRCDIFJXFF-LPHOPBHVSA-N 1 0 286.463 3.691 50 0 CHAARO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccncc3)oc21 ZINC000020140566 171026712 /nfs/dbraw/zinc/02/67/12/171026712.db2.gz XCHKGHZLVPUYDM-GFCCVEGCSA-N 1 0 282.343 3.687 50 0 CHAARO Cc1cc(OCC[C@@H]2CCCC[NH2+]2)cc(C)c1Cl ZINC000020221541 171082872 /nfs/dbraw/zinc/08/28/72/171082872.db2.gz NETBXQKENDNSLE-ZDUSSCGKSA-N 1 0 267.800 3.868 50 0 CHAARO CSc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000020275292 171132027 /nfs/dbraw/zinc/13/20/27/171132027.db2.gz BCKPQYYTCKAZML-UHFFFAOYSA-N 1 0 275.392 3.880 50 0 CHAARO COc1ccc(C[NH2+]CCc2ccccc2)cc1Cl ZINC000020406694 171183200 /nfs/dbraw/zinc/18/32/00/171183200.db2.gz AYGVDDWWNKFHQY-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO [NH3+]CC1(c2ccc(Br)cc2)CCCCC1 ZINC000020429501 171194627 /nfs/dbraw/zinc/19/46/27/171194627.db2.gz XOCCINPANIDWBO-UHFFFAOYSA-N 1 0 268.198 3.610 50 0 CHAARO FC(F)(F)c1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020593613 171262869 /nfs/dbraw/zinc/26/28/69/171262869.db2.gz AQQSBWDZDVLLSQ-LBPRGKRZSA-N 1 0 273.298 3.616 50 0 CHAARO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000020600243 171266384 /nfs/dbraw/zinc/26/63/84/171266384.db2.gz FWXWPFQDMCQXRX-IBGZPJMESA-N 1 0 299.389 3.840 50 0 CHAARO Fc1ccc(CC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000020783717 171272739 /nfs/dbraw/zinc/27/27/39/171272739.db2.gz MNFBDEYOWQOIET-UHFFFAOYSA-N 1 0 284.378 3.675 50 0 CHAARO CCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCCC1 ZINC000021175851 171298976 /nfs/dbraw/zinc/29/89/76/171298976.db2.gz KKCGBHHBOSZEGW-AWEZNQCLSA-N 1 0 271.408 3.993 50 0 CHAARO Clc1ccc(C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000021635791 171317701 /nfs/dbraw/zinc/31/77/01/171317701.db2.gz CDBLXGKWIBFXSO-UHFFFAOYSA-N 1 0 283.762 3.573 50 0 CHAARO Cc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)o1 ZINC000028925562 171581198 /nfs/dbraw/zinc/58/11/98/171581198.db2.gz TZQNBPKFAINPPB-CYBMUJFWSA-N 1 0 298.386 3.787 50 0 CHAARO CC[NH2+][C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000035539015 172245784 /nfs/dbraw/zinc/24/57/84/172245784.db2.gz UIADRZHSZNPTFA-CQSZACIVSA-N 1 0 291.192 3.543 50 0 CHAARO CC[C@@H]([NH2+]C(C)C)c1cccc(Br)c1 ZINC000037186266 173017217 /nfs/dbraw/zinc/01/72/17/173017217.db2.gz UXRSSSHWGNWZPN-GFCCVEGCSA-N 1 0 256.187 3.898 50 0 CHAARO CC[N@H+](Cc1nc(Cc2ccccc2)no1)C1CCCCC1 ZINC000040120218 174193486 /nfs/dbraw/zinc/19/34/86/174193486.db2.gz VQEKGFPGCUWVDB-UHFFFAOYSA-N 1 0 299.418 3.815 50 0 CHAARO CCc1[nH+]c2c(c(C)c(C)n2Cc2ccccn2)c(N)c1C ZINC000040268006 174218628 /nfs/dbraw/zinc/21/86/28/174218628.db2.gz MXCWJDMEBRDWRM-UHFFFAOYSA-N 1 0 294.402 3.549 50 0 CHAARO c1ccc2sc(SC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000043495209 175058045 /nfs/dbraw/zinc/05/80/45/175058045.db2.gz DECPXOQQKFMPGP-JTQLQIEISA-N 1 0 264.419 3.531 50 0 CHAARO [NH3+]CCc1ccccc1-c1cccc(C(F)(F)F)c1 ZINC000067490739 175776854 /nfs/dbraw/zinc/77/68/54/175776854.db2.gz VMBDVZAKSBKGHP-UHFFFAOYSA-N 1 0 265.278 3.874 50 0 CHAARO Cc1ccc(C2([NH3+])CCCCC2)c(Br)c1 ZINC000071599597 176224739 /nfs/dbraw/zinc/22/47/39/176224739.db2.gz YZWBTNNKEFYWJM-UHFFFAOYSA-N 1 0 268.198 3.876 50 0 CHAARO c1ccc2c(c1)ccnc2-c1cccc2c1CC[NH2+]C2 ZINC000071757040 176260713 /nfs/dbraw/zinc/26/07/13/176260713.db2.gz DOYQBAYLRNHQRN-UHFFFAOYSA-N 1 0 260.340 3.548 50 0 CHAARO c1ccc2nc(-c3cccc4c3CC[NH2+]C4)ccc2c1 ZINC000071759621 176261097 /nfs/dbraw/zinc/26/10/97/176261097.db2.gz LPZCNZJMRYSRAK-UHFFFAOYSA-N 1 0 260.340 3.548 50 0 CHAARO c1cc2cc(C[NH+]3CCC4(CCOCC4)CC3)ccc2[nH]1 ZINC000072157527 176329388 /nfs/dbraw/zinc/32/93/88/176329388.db2.gz QHDJLIYMTKTPAQ-UHFFFAOYSA-N 1 0 284.403 3.561 50 0 CHAARO C[C@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1ccco1 ZINC000072334036 176370552 /nfs/dbraw/zinc/37/05/52/176370552.db2.gz HECRTIIJPYRXOR-VBQJREDUSA-N 1 0 289.419 3.955 50 0 CHAARO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2)s1 ZINC000078432557 177341088 /nfs/dbraw/zinc/34/10/88/177341088.db2.gz LLBWUVWXYOTRRH-GFCCVEGCSA-N 1 0 288.416 3.563 50 0 CHAARO COc1ccc(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)cc1O ZINC000078553791 177353802 /nfs/dbraw/zinc/35/38/02/177353802.db2.gz YVFRZIVDPQVFBE-BLLLJJGKSA-N 1 0 283.371 3.739 50 0 CHAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)cc1O ZINC000078553780 177353859 /nfs/dbraw/zinc/35/38/59/177353859.db2.gz YVFRZIVDPQVFBE-WBMJQRKESA-N 1 0 283.371 3.739 50 0 CHAARO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C(C1CC1)C1CC1 ZINC000020131045 262230558 /nfs/dbraw/zinc/23/05/58/262230558.db2.gz YFKFAAMDCHJBOZ-LBPRGKRZSA-N 1 0 287.403 3.515 50 0 CHAARO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(F)cn1 ZINC000289514946 328254800 /nfs/dbraw/zinc/25/48/00/328254800.db2.gz VGQACQGGRSNHKB-QGZVFWFLSA-N 1 0 288.366 3.812 50 0 CHAARO CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cccnc1 ZINC000534592138 328318687 /nfs/dbraw/zinc/31/86/87/328318687.db2.gz JMGLMFZISHYNEW-IBGZPJMESA-N 1 0 295.430 3.791 50 0 CHAARO Cc1nccn1CC[C@H](C)[NH2+]C1(Cc2cccc(C)c2)CC1 ZINC000534651045 328337027 /nfs/dbraw/zinc/33/70/27/328337027.db2.gz XTEWVCQTOHGWEA-INIZCTEOSA-N 1 0 297.446 3.643 50 0 CHAARO c1ccc2cc(OCCC3CC[NH2+]CC3)ccc2c1 ZINC000014632398 326844338 /nfs/dbraw/zinc/84/43/38/326844338.db2.gz ZCRBNQFKGZVJCK-UHFFFAOYSA-N 1 0 255.361 3.608 50 0 CHAARO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CCOCC1 ZINC000096476910 534231724 /nfs/dbraw/zinc/23/17/24/534231724.db2.gz IYVDKSXCLRTKBS-JTQLQIEISA-N 1 0 288.218 3.693 50 0 CHAARO CC[NH+](CC)CCNCc1ccc(-c2ccccc2F)o1 ZINC000019872547 520686747 /nfs/dbraw/zinc/68/67/47/520686747.db2.gz CDCKCUIJLHGLAS-UHFFFAOYSA-N 1 0 290.382 3.517 50 0 CHAARO COC(=O)c1cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c[nH]1 ZINC000067872699 521794659 /nfs/dbraw/zinc/79/46/59/521794659.db2.gz PSTKLMLTLSLSTK-CYBMUJFWSA-N 1 0 298.386 3.625 50 0 CHAARO CSc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000019872146 526006680 /nfs/dbraw/zinc/00/66/80/526006680.db2.gz IAOBRCUYXDCAQZ-CXAGYDPISA-N 1 0 287.428 3.620 50 0 CHAARO CC(C)Oc1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1F ZINC000096477240 528163671 /nfs/dbraw/zinc/16/36/71/528163671.db2.gz XYWNLUWXDKYXHE-CYBMUJFWSA-N 1 0 295.398 3.518 50 0 CHAARO Clc1cccc(OCCC[NH+]2CCCC2)c1Cl ZINC000004472853 567857817 /nfs/dbraw/zinc/85/78/17/567857817.db2.gz GNUQRBYVCIMPBV-UHFFFAOYSA-N 1 0 274.191 3.858 50 0 CHAARO CC(C)Nc1[nH+]cc2c(Cl)cc(C(F)(F)F)cn21 ZINC000263639895 570262146 /nfs/dbraw/zinc/26/21/46/570262146.db2.gz NMLWDVLPNXSNAE-UHFFFAOYSA-N 1 0 277.677 3.827 50 0 CHAARO Cc1ccccc1Cn1ccc(=[NH+]Cc2ccccc2)cc1 ZINC000000973156 566835466 /nfs/dbraw/zinc/83/54/66/566835466.db2.gz FDLLMMBYVKWCAI-UHFFFAOYSA-N 1 0 288.394 3.946 50 0 CHAARO Cc1ccccc1NC(=O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000003339707 566849638 /nfs/dbraw/zinc/84/96/38/566849638.db2.gz LJAADATYVQDVAG-SFHVURJKSA-N 1 0 294.398 3.601 50 0 CHAARO O=C1C2(CCCCC2)[C@H]([NH+]2CCCC2)[C@@]12CC=CCC2 ZINC000043215040 566917811 /nfs/dbraw/zinc/91/78/11/566917811.db2.gz XPHRGMDHYLOARH-WBVHZDCISA-N 1 0 273.420 3.711 50 0 CHAARO COC(=O)C(C)(C)C(C)(C)[NH2+]Cc1cc2ccccc2o1 ZINC000075108073 566934855 /nfs/dbraw/zinc/93/48/55/566934855.db2.gz ORBOURWHXDYRKN-UHFFFAOYSA-N 1 0 289.375 3.500 50 0 CHAARO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000090542094 566952456 /nfs/dbraw/zinc/95/24/56/566952456.db2.gz HXNWWUFIHQQJDH-HRCADAONSA-N 1 0 283.481 3.766 50 0 CHAARO Cc1ncsc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000092736201 566971419 /nfs/dbraw/zinc/97/14/19/566971419.db2.gz OHTWTHWIKZZKKI-UHFFFAOYSA-N 1 0 294.464 3.765 50 0 CHAARO CCC[N@@H+](Cc1cccs1)C[C@H](O)c1ccccc1 ZINC000036096608 566994482 /nfs/dbraw/zinc/99/44/82/566994482.db2.gz NKAIISWEDFSELX-INIZCTEOSA-N 1 0 275.417 3.694 50 0 CHAARO CCC[C@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccccc1 ZINC000036097662 566994860 /nfs/dbraw/zinc/99/48/60/566994860.db2.gz MQOBMRSPILSCDE-KRWDZBQOSA-N 1 0 287.403 3.751 50 0 CHAARO Cc1ccc(C(OCC[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000002017304 566998731 /nfs/dbraw/zinc/99/87/31/566998731.db2.gz GCQBCPOXKWXSTH-UHFFFAOYSA-N 1 0 283.415 3.971 50 0 CHAARO COc1cc2c(c(C[NH2+]C3CCC(C)CC3)c1)O[C@H](C)C2 ZINC000170620785 567016210 /nfs/dbraw/zinc/01/62/10/567016210.db2.gz LQNOGXNLONSDJV-MFOWVQHXSA-N 1 0 289.419 3.687 50 0 CHAARO CC[C@]1(C)C[C@@H]([C@@H](CC[NH3+])c2ccccc2)CCO1 ZINC000002151400 567059717 /nfs/dbraw/zinc/05/97/17/567059717.db2.gz XFYDEOVNLBSXAJ-YESZJQIVSA-N 1 0 261.409 3.714 50 0 biogenic CHAARO CCSc1ccc([C@@H](C)[NH2+]Cc2ccnc(N)c2)cc1 ZINC000193500923 567060341 /nfs/dbraw/zinc/06/03/41/567060341.db2.gz SGIIZQILTIRDGC-GFCCVEGCSA-N 1 0 287.432 3.627 50 0 CHAARO CC(C)[C@H](C[NH2+][C@H](C)C1CCC1)Nc1ccccc1 ZINC000170670103 567066006 /nfs/dbraw/zinc/06/60/06/567066006.db2.gz YHVFAVRDMQYPTI-PBHICJAKSA-N 1 0 260.425 3.901 50 0 CHAARO CC[NH+](CC)Cc1cncc(-c2ccc(F)cc2)c1 ZINC000037553698 567066906 /nfs/dbraw/zinc/06/69/06/567066906.db2.gz IUSFSVLIWULRMD-UHFFFAOYSA-N 1 0 258.340 3.730 50 0 CHAARO CCC[C@]12CC[C@@H]3c4ccc(O)cc4CC[N@@H+]3[C@H]1CCC2=O ZINC000261361525 567119428 /nfs/dbraw/zinc/11/94/28/567119428.db2.gz KKAVQDMECOIUDA-AOIWGVFYSA-N 1 0 299.414 3.603 50 0 CHAARO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000095423668 567131091 /nfs/dbraw/zinc/13/10/91/567131091.db2.gz KHKBYMOIQGQANP-CYBMUJFWSA-N 1 0 272.392 3.883 50 0 CHAARO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(C)c(C)c2)c1 ZINC000095443039 567134742 /nfs/dbraw/zinc/13/47/42/567134742.db2.gz AQGNJANVOGYFMC-UHFFFAOYSA-N 1 0 292.386 3.805 50 0 CHAARO Cc1cc(C[N@H+](C)CCc2ccncc2)c2ccccc2n1 ZINC000095999365 567136635 /nfs/dbraw/zinc/13/66/35/567136635.db2.gz CAUFDMHEIKWFGD-UHFFFAOYSA-N 1 0 291.398 3.613 50 0 CHAARO CCCN1C(=O)C(C)=C(C)[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000095483071 567136709 /nfs/dbraw/zinc/13/67/09/567136709.db2.gz QFLGGFHQRAPBEC-ROUUACIJSA-N 1 0 298.430 3.568 50 0 CHAARO [NH3+]CCCCCOc1cccc(OCc2ccccc2)c1 ZINC000096027288 567138503 /nfs/dbraw/zinc/13/85/03/567138503.db2.gz IZNNFVMOEKPIPS-UHFFFAOYSA-N 1 0 285.387 3.773 50 0 CHAARO Cc1nnc([C@H](C)N(C)Cc2cc(C)cc(C)c2)s1 ZINC000225772767 567149284 /nfs/dbraw/zinc/14/92/84/567149284.db2.gz KYGJCBHDHNNBNV-LBPRGKRZSA-N 1 0 275.421 3.656 50 0 CHAARO O[C@H](C[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000002651815 567151074 /nfs/dbraw/zinc/15/10/74/567151074.db2.gz IWAGAOQLMHUERY-LJQANCHMSA-N 1 0 279.383 3.509 50 0 CHAARO Cc1cc(C)c(OCC[NH2+]Cc2ccco2)c(Cl)c1 ZINC000003388237 567171543 /nfs/dbraw/zinc/17/15/43/567171543.db2.gz MEGPTYKAWCUTKZ-UHFFFAOYSA-N 1 0 279.767 3.718 50 0 CHAARO CCCOC[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000670446923 567177570 /nfs/dbraw/zinc/17/75/70/567177570.db2.gz CJBBQAGCMCAOBX-GFCCVEGCSA-N 1 0 285.790 3.728 50 0 CHAARO C[N@H+](CC[C@H]1CC1(F)F)Cc1cc(-c2ccccc2)n[nH]1 ZINC000670446662 567178711 /nfs/dbraw/zinc/17/87/11/567178711.db2.gz ZEKCGUJIDQIRQC-ZDUSSCGKSA-N 1 0 291.345 3.554 50 0 CHAARO C[NH+](C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000004003073 567182158 /nfs/dbraw/zinc/18/21/58/567182158.db2.gz MRNQMYQVAKMUSY-UHFFFAOYSA-N 1 0 285.778 3.716 50 0 CHAARO CCc1ccc([C@@H](C)[NH2+][C@@H](CC)c2c(C)nn(C)c2C)o1 ZINC000133847422 567184094 /nfs/dbraw/zinc/18/40/94/567184094.db2.gz OPSAMYKIPSLRIM-ABAIWWIYSA-N 1 0 289.423 3.994 50 0 CHAARO Cc1ncsc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000670464634 567194437 /nfs/dbraw/zinc/19/44/37/567194437.db2.gz MHYNSUVNKLWCSM-UHFFFAOYSA-N 1 0 298.455 3.932 50 0 CHAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000670473776 567197590 /nfs/dbraw/zinc/19/75/90/567197590.db2.gz VCWUUOYXKVWLKF-CQSZACIVSA-N 1 0 294.402 3.579 50 0 CHAARO Cc1nnc([C@H](C)[N@H+](C)CCc2cccc3ccccc32)o1 ZINC000069530171 567201852 /nfs/dbraw/zinc/20/18/52/567201852.db2.gz YUTWDOUGASXJMD-ZDUSSCGKSA-N 1 0 295.386 3.767 50 0 CHAARO C[NH+](C)C[C@@H]1CCOC1(c1ccccc1)c1ccccc1 ZINC000113266366 567212732 /nfs/dbraw/zinc/21/27/32/567212732.db2.gz BOTHKNZTGGXFEQ-SFHVURJKSA-N 1 0 281.399 3.528 50 0 CHAARO COc1cc(CC[C@@H](C)[NH2+]Cc2ccccc2)ccc1O ZINC000000132935 567819391 /nfs/dbraw/zinc/81/93/91/567819391.db2.gz GEKRZHUGDNWIIB-CQSZACIVSA-N 1 0 285.387 3.512 50 0 CHAARO CC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000000137860 567819726 /nfs/dbraw/zinc/81/97/26/567819726.db2.gz YGOKXPYSMYEJLK-UHFFFAOYSA-N 1 0 291.782 3.622 50 0 CHAARO COc1cc2c(cc1OC)[C@H](c1ccc(C)cc1)[N@H+](C)CC2 ZINC000000197216 567822128 /nfs/dbraw/zinc/82/21/28/567822128.db2.gz BGLDTMLFNFLJDH-IBGZPJMESA-N 1 0 297.398 3.590 50 0 CHAARO CCOc1ccccc1C[N@@H+]1CCc2ccccc2C1 ZINC000000240899 567822720 /nfs/dbraw/zinc/82/27/20/567822720.db2.gz ZKLUISNUWXHAHN-UHFFFAOYSA-N 1 0 267.372 3.644 50 0 CHAARO c1ccc(CC[NH+]2CCC(Nc3ccccc3)CC2)cc1 ZINC000000272395 567823583 /nfs/dbraw/zinc/82/35/83/567823583.db2.gz ZCMDXDQUYIWEKB-UHFFFAOYSA-N 1 0 280.415 3.806 50 0 in-vitro CHAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000000280035 567824092 /nfs/dbraw/zinc/82/40/92/567824092.db2.gz ZMHMHLQVGOVBPL-IRXDYDNUSA-N 1 0 286.463 3.629 50 0 CHAARO CCCCCCn1c2c(c(=[NH2+])c3c1CCC3)CCC2 ZINC000002056015 567844559 /nfs/dbraw/zinc/84/45/59/567844559.db2.gz WKLIILWHYTVQKO-UHFFFAOYSA-N 1 0 258.409 3.525 50 0 CHAARO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)CCCC(C)(C)O ZINC000002499171 567846327 /nfs/dbraw/zinc/84/63/27/567846327.db2.gz XKAWVQWKRHVDFP-LSDHHAIUSA-N 1 0 293.451 3.546 50 0 CHAARO Cc1ccccc1C(=O)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514879 567846420 /nfs/dbraw/zinc/84/64/20/567846420.db2.gz WYMUARVBTCSDJQ-UHFFFAOYSA-N 1 0 277.367 3.598 50 0 CHAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1cccc(F)c1 ZINC000003314805 567852352 /nfs/dbraw/zinc/85/23/52/567852352.db2.gz UBNHRPVZGCZIMM-MGPQQGTHSA-N 1 0 293.382 3.634 50 0 CHAARO Brc1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000003734893 567853577 /nfs/dbraw/zinc/85/35/77/567853577.db2.gz SNRBUTFTTGDGDW-GFCCVEGCSA-N 1 0 254.171 3.654 50 0 CHAARO CCC[NH+]1CCC(Nc2ccc(Cl)cc2)CC1 ZINC000003683720 567853680 /nfs/dbraw/zinc/85/36/80/567853680.db2.gz XPVHDSXWTRRAIL-UHFFFAOYSA-N 1 0 252.789 3.626 50 0 CHAARO Cn1cc(C[NH2+]CCc2ccccc2)c2ccccc21 ZINC000004245197 567856306 /nfs/dbraw/zinc/85/63/06/567856306.db2.gz USVXTNMIXBSNIF-UHFFFAOYSA-N 1 0 264.372 3.511 50 0 CHAARO CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000004657446 567858909 /nfs/dbraw/zinc/85/89/09/567858909.db2.gz AWBQBHNWOOPLMA-CQSZACIVSA-N 1 0 255.361 3.936 50 0 CHAARO C[NH2+]C[C@H]1c2ccccc2CSc2ccccc21 ZINC000005525972 567859539 /nfs/dbraw/zinc/85/95/39/567859539.db2.gz PWVVWWGUYVRUCH-HNNXBMFYSA-N 1 0 255.386 3.644 50 0 CHAARO Cc1ccccc1CC[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000012307188 567862535 /nfs/dbraw/zinc/86/25/35/567862535.db2.gz QIXZRMGUNHMMPB-KRWDZBQOSA-N 1 0 297.446 3.573 50 0 CHAARO Cc1ccc(-n2ncc3c2ncnc3NCCC(C)C)cc1 ZINC000004354915 567864033 /nfs/dbraw/zinc/86/40/33/567864033.db2.gz ABXDXEYVIASTOV-UHFFFAOYSA-N 1 0 295.390 3.582 50 0 CHAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000032819263 567869039 /nfs/dbraw/zinc/86/90/39/567869039.db2.gz XTNGALBJROLALQ-HNNXBMFYSA-N 1 0 277.371 3.723 50 0 CHAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000014970813 567869884 /nfs/dbraw/zinc/86/98/84/567869884.db2.gz AAZFPZJVTNLFOV-HNNXBMFYSA-N 1 0 287.403 3.533 50 0 CHAARO COc1ccc(CC[N@H+](C)C2CCC(C)CC2)cc1OC ZINC000016663214 567873487 /nfs/dbraw/zinc/87/34/87/567873487.db2.gz SURJYQUJWKJSEO-UHFFFAOYSA-N 1 0 291.435 3.757 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695543 567873591 /nfs/dbraw/zinc/87/35/91/567873591.db2.gz FWNWUVHKTALMLV-VXGBXAGGSA-N 1 0 295.810 3.684 50 0 CHAARO CC[NH+](CC)CCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000019636864 567878060 /nfs/dbraw/zinc/87/80/60/567878060.db2.gz PYWIUZJTLYUWQB-UHFFFAOYSA-N 1 0 289.250 3.767 50 0 CHAARO Brc1ccc(Oc2ccncc2)cc1 ZINC000019479641 567878130 /nfs/dbraw/zinc/87/81/30/567878130.db2.gz TZTRSTMVTWWEDG-UHFFFAOYSA-N 1 0 250.095 3.636 50 0 CHAARO CC[N@H+](CCN(C)C)C1CCC(c2ccccc2)CC1 ZINC000019636892 567878224 /nfs/dbraw/zinc/87/82/24/567878224.db2.gz ODIRKQPLGDACND-UHFFFAOYSA-N 1 0 274.452 3.596 50 0 CHAARO COc1cccc(CC[NH2+]Cc2ccc(SC)cc2)c1 ZINC000019642867 567878320 /nfs/dbraw/zinc/87/83/20/567878320.db2.gz UYJBCYICVJDYJD-UHFFFAOYSA-N 1 0 287.428 3.749 50 0 CHAARO [NH3+][C@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000019969412 567880539 /nfs/dbraw/zinc/88/05/39/567880539.db2.gz UDNDGNWVVJDOQI-ZDUSSCGKSA-N 1 0 253.679 3.666 50 0 CHAARO COc1ccccc1[C@H](C)[NH2+]Cc1sccc1C ZINC000020096646 567880680 /nfs/dbraw/zinc/88/06/80/567880680.db2.gz MMERQMLMIXAIQY-LBPRGKRZSA-N 1 0 261.390 3.916 50 0 CHAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000023281222 567881542 /nfs/dbraw/zinc/88/15/42/567881542.db2.gz VXAOILQJGGWAGN-WMZOPIPTSA-N 1 0 286.419 3.800 50 0 CHAARO Fc1cccc(Br)c1C[NH2+]C1CCCC1 ZINC000027909358 567883444 /nfs/dbraw/zinc/88/34/44/567883444.db2.gz OTAMSXHRNBWMKN-UHFFFAOYSA-N 1 0 272.161 3.620 50 0 CHAARO Clc1ccc(COC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000028521988 567884140 /nfs/dbraw/zinc/88/41/40/567884140.db2.gz YRKZFPQWMLSAGA-SNVBAGLBSA-N 1 0 274.191 3.510 50 0 CHAARO CSc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000023280364 567887990 /nfs/dbraw/zinc/88/79/90/567887990.db2.gz RBIIRMRDFYETDX-KRWDZBQOSA-N 1 0 287.428 3.574 50 0 CHAARO OCC[C@H]1CCCC[N@@H+]1C1CCC(c2ccccc2)CC1 ZINC000003683631 567888228 /nfs/dbraw/zinc/88/82/28/567888228.db2.gz HCZSDGPQYGTUJG-JLAWEPINSA-N 1 0 287.447 3.950 50 0 CHAARO CCOc1ccccc1C[N@H+](C)CCc1ccccc1 ZINC000023282245 567888708 /nfs/dbraw/zinc/88/87/08/567888708.db2.gz BGDLXJFKOJYJNQ-UHFFFAOYSA-N 1 0 269.388 3.760 50 0 CHAARO c1coc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000023471728 567888715 /nfs/dbraw/zinc/88/87/15/567888715.db2.gz BIZSEHPFITVFIS-ZWKOTPCHSA-N 1 0 288.435 3.509 50 0 CHAARO CCc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770882 567891747 /nfs/dbraw/zinc/89/17/47/567891747.db2.gz HNQSJFINTLICAE-ZDUSSCGKSA-N 1 0 267.800 3.671 50 0 CHAARO CCC(C)(C)c1ccc(O[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775312 567891846 /nfs/dbraw/zinc/89/18/46/567891846.db2.gz VBMHGRYQMGIPEC-LBPRGKRZSA-N 1 0 267.800 3.768 50 0 CHAARO Clc1cc(-c2ccccc2)ccc1O[C@H]1CC[NH2+]C1 ZINC000042775003 567891855 /nfs/dbraw/zinc/89/18/55/567891855.db2.gz YBVOBYCKZFVIGU-AWEZNQCLSA-N 1 0 273.763 3.748 50 0 CHAARO Clc1ccc(O[C@@H]2CC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042775504 567891861 /nfs/dbraw/zinc/89/18/61/567891861.db2.gz LRDSGZUQJNVFRL-CQSZACIVSA-N 1 0 273.763 3.748 50 0 CHAARO Cc1cc(C)c(C[N@@H+](C)[C@@H](C)c2ccco2)c(C)c1CO ZINC000055227284 567894260 /nfs/dbraw/zinc/89/42/60/567894260.db2.gz FVWJLBHNHTURRQ-HNNXBMFYSA-N 1 0 287.403 3.890 50 0 CHAARO CCc1cc([C@H]2CCCN2Cc2ccc(F)cc2F)on1 ZINC000064667005 567897957 /nfs/dbraw/zinc/89/79/57/567897957.db2.gz YSXJFZUNNGMHAA-OAHLLOKOSA-N 1 0 292.329 3.852 50 0 CHAARO Cc1cc([C@H]2CCCN2Cc2ccc(F)cc2F)on1 ZINC000064666900 567898094 /nfs/dbraw/zinc/89/80/94/567898094.db2.gz ONDQOJKVNJQRGZ-CQSZACIVSA-N 1 0 278.302 3.598 50 0 CHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2sccc2C)on1 ZINC000064666877 567898138 /nfs/dbraw/zinc/89/81/38/567898138.db2.gz KXQBJZGNTUPSGW-LBPRGKRZSA-N 1 0 262.378 3.690 50 0 CHAARO CCn1nc(C)c(C[NH2+][C@H](C)CC(C)(C)SC)c1C ZINC000065370188 567898463 /nfs/dbraw/zinc/89/84/63/567898463.db2.gz SBFRGKWZVLVIMG-LLVKDONJSA-N 1 0 283.485 3.530 50 0 CHAARO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(Cl)nc1 ZINC000065406273 567899094 /nfs/dbraw/zinc/89/90/94/567899094.db2.gz ZSEFIRPMBQXKCA-VMPITWQZSA-N 1 0 272.779 3.880 50 0 CHAARO CC(C)[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000067725282 567900248 /nfs/dbraw/zinc/90/02/48/567900248.db2.gz DGXSVEFESPKSEU-HNNXBMFYSA-N 1 0 269.392 3.665 50 0 CHAARO Cc1nc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)co1 ZINC000072425603 567902444 /nfs/dbraw/zinc/90/24/44/567902444.db2.gz QFRDELOMDPKDFK-GOSISDBHSA-N 1 0 284.403 3.970 50 0 CHAARO C[C@H](NC(=O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000011231992 567903378 /nfs/dbraw/zinc/90/33/78/567903378.db2.gz CAUVGKLXJDNKAV-HNNXBMFYSA-N 1 0 296.414 3.503 50 0 CHAARO c1ncc(CNc2ccc(-c3ccccc3)cn2)s1 ZINC000097094818 567904223 /nfs/dbraw/zinc/90/42/23/567904223.db2.gz YDRNBMNAVHJFBL-UHFFFAOYSA-N 1 0 267.357 3.817 50 0 CHAARO C[C@H](c1ccc(-c2cncc(C(C)(C)O)c2)cc1)[NH+](C)C ZINC000426369820 567907783 /nfs/dbraw/zinc/90/77/83/567907783.db2.gz AHSWTZMMOFBVOM-CYBMUJFWSA-N 1 0 284.403 3.599 50 0 CHAARO Cc1ccc([C@H](C)CC[NH+]2CCC(c3cc[nH]n3)CC2)o1 ZINC000097505379 567910454 /nfs/dbraw/zinc/91/04/54/567910454.db2.gz LWNFWXMYJVFGOQ-CYBMUJFWSA-N 1 0 287.407 3.684 50 0 CHAARO Cc1ccc([C@H](C)CC[N@H+](C)CCc2ccncc2)o1 ZINC000097495114 567910503 /nfs/dbraw/zinc/91/05/03/567910503.db2.gz UKSKTHUUFGISAO-CQSZACIVSA-N 1 0 272.392 3.651 50 0 CHAARO CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(C)c3)cc2)C1 ZINC000097674385 567910803 /nfs/dbraw/zinc/91/08/03/567910803.db2.gz DLHJTJDFBUBPOR-LJQANCHMSA-N 1 0 281.399 3.883 50 0 CHAARO Cn1c(C[N@@H+]2CCCC3(CCOCC3)C2)cc2ccccc21 ZINC000097696322 567910877 /nfs/dbraw/zinc/91/08/77/567910877.db2.gz NFHBUELOAUQXMT-UHFFFAOYSA-N 1 0 298.430 3.571 50 0 CHAARO C=Cn1cc(C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)cn1 ZINC000408514792 567927695 /nfs/dbraw/zinc/92/76/95/567927695.db2.gz XSDGPQYAUVTCBM-NSHDSACASA-N 1 0 285.322 3.720 50 0 CHAARO Nc1[nH]cc(-c2ccc(-c3ccc(F)cc3Cl)cc2)[nH+]1 ZINC000426490043 567929058 /nfs/dbraw/zinc/92/90/58/567929058.db2.gz BVSDSFYIQZYINP-UHFFFAOYSA-N 1 0 287.725 3.949 50 0 CHAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCCC12CCCCC2 ZINC000252584449 567930077 /nfs/dbraw/zinc/93/00/77/567930077.db2.gz ANHCAFIQECEFDU-JYJNAYRXSA-N 1 0 265.441 3.630 50 0 CHAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1Oc1ccccc1)c1cnccn1 ZINC000253370245 567930546 /nfs/dbraw/zinc/93/05/46/567930546.db2.gz OENMATXWESJNRB-QILLFSRXSA-N 1 0 297.402 3.517 50 0 CHAARO c1ccc(-c2ccc(CSC3=[NH+]CCN3)cc2)cc1 ZINC000014169358 567942529 /nfs/dbraw/zinc/94/25/29/567942529.db2.gz IAZKQULZXDAQOV-UHFFFAOYSA-N 1 0 268.385 3.546 50 0 CHAARO CC[NH+](CC)Cc1cc(C(C)=O)ccc1OCC(C)C ZINC000000532848 567942531 /nfs/dbraw/zinc/94/25/31/567942531.db2.gz BPICPKNZFQHOTE-UHFFFAOYSA-N 1 0 277.408 3.766 50 0 CHAARO C[C@H](C[N@H+](CCN(C)C)Cc1ccccc1)c1ccccc1 ZINC000019849838 567944763 /nfs/dbraw/zinc/94/47/63/567944763.db2.gz DJFLFGGYEOZENV-GOSISDBHSA-N 1 0 296.458 3.854 50 0 CHAARO Cc1c(-c2cccs2)[n+](=O)c(-c2ccccc2)c(C)n1O ZINC000136711517 567946862 /nfs/dbraw/zinc/94/68/62/567946862.db2.gz CSVVCBJDEVHVAD-UHFFFAOYSA-N 1 0 299.375 3.652 50 0 CHAARO O[C@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000049933660 567946929 /nfs/dbraw/zinc/94/69/29/567946929.db2.gz HIJNQMKSFNQSBG-JTQLQIEISA-N 1 0 281.808 3.511 50 0 CHAARO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000214966006 567947123 /nfs/dbraw/zinc/94/71/23/567947123.db2.gz IGXBWCZGSXUSCA-UHFFFAOYSA-N 1 0 274.191 3.604 50 0 CHAARO CN1CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4)s3)C[C@H]21 ZINC000215865420 567947352 /nfs/dbraw/zinc/94/73/52/567947352.db2.gz PNHQPSMIEYQPIR-DOTOQJQBSA-N 1 0 298.455 3.551 50 0 CHAARO Cc1cc(C[N@@H+](C)CC[C@@H](C)c2ccc(C)o2)on1 ZINC000216245485 567947533 /nfs/dbraw/zinc/94/75/33/567947533.db2.gz HGCITQINHLDGLP-LLVKDONJSA-N 1 0 262.353 3.510 50 0 CHAARO COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(O)c3)oc21 ZINC000058169169 567948520 /nfs/dbraw/zinc/94/85/20/567948520.db2.gz HGEAMNDMGQPFCJ-LBPRGKRZSA-N 1 0 297.354 3.998 50 0 CHAARO COc1ccc(C[N@H+](C)[C@@H]2C[C@@H]2c2ccccc2)c(OC)c1 ZINC000225542386 567953976 /nfs/dbraw/zinc/95/39/76/567953976.db2.gz KIQHISXRKJPWKZ-QZTJIDSGSA-N 1 0 297.398 3.692 50 0 CHAARO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)CCC2 ZINC000225566385 567954097 /nfs/dbraw/zinc/95/40/97/567954097.db2.gz HOPZOCASTKEOQR-ZANVPECISA-N 1 0 291.395 3.714 50 0 CHAARO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)C1=CCCCC1 ZINC000067446881 570246328 /nfs/dbraw/zinc/24/63/28/570246328.db2.gz RFQIEKYFSRHAEV-MRXNPFEDSA-N 1 0 299.462 3.525 50 0 CHAARO Cc1cccc2c(-c3cccc(CC[NH3+])c3)c[nH]c21 ZINC000067434312 570246377 /nfs/dbraw/zinc/24/63/77/570246377.db2.gz ZLHCVYCTBDFTOW-UHFFFAOYSA-N 1 0 250.345 3.645 50 0 CHAARO [NH3+]C[C@@H](c1c[nH]c2ccc(F)cc21)c1ccc(F)cc1 ZINC000091690205 570255440 /nfs/dbraw/zinc/25/54/40/570255440.db2.gz BFAVJEXIORIFMT-CQSZACIVSA-N 1 0 272.298 3.537 50 0 CHAARO CCc1cc(OCC[NH2+]Cc2ccco2)ccc1Cl ZINC000003001941 570278620 /nfs/dbraw/zinc/27/86/20/570278620.db2.gz SYQDOWSLYHCIAT-UHFFFAOYSA-N 1 0 279.767 3.664 50 0 CHAARO Clc1ccc(CN2CCC[C@@H]2c2ccccn2)o1 ZINC000215122703 570302365 /nfs/dbraw/zinc/30/23/65/570302365.db2.gz CWUOZJVBNQFPDB-CYBMUJFWSA-N 1 0 262.740 3.665 50 0 CHAARO COC[C@@H]1CCC[N@@H+]1Cc1ccc(OC2CCCC2)cc1 ZINC000215418035 570302787 /nfs/dbraw/zinc/30/27/87/570302787.db2.gz QQPRKZLFYIFJBB-INIZCTEOSA-N 1 0 289.419 3.619 50 0 CHAARO COc1ccc(C[N@H+](C)CC[C@H]2CCCCO2)cc1Cl ZINC000215457166 570303335 /nfs/dbraw/zinc/30/33/35/570303335.db2.gz NGASUFCSKDZLKY-CQSZACIVSA-N 1 0 297.826 3.740 50 0 CHAARO C[N@H+](CCC1CCOCC1)Cc1ccc2cc(O)ccc2c1 ZINC000216047847 570305031 /nfs/dbraw/zinc/30/50/31/570305031.db2.gz IWVRKWXGBIFYLG-UHFFFAOYSA-N 1 0 299.414 3.794 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000023989555 570311402 /nfs/dbraw/zinc/31/14/02/570311402.db2.gz PSUDWYTXGTXFKN-IBGZPJMESA-N 1 0 294.398 3.812 50 0 CHAARO C[C@H](c1nccs1)N(C)Cc1cccc(-c2cn[nH]c2)c1 ZINC000019740845 570328028 /nfs/dbraw/zinc/32/80/28/570328028.db2.gz ILSGVTFKPHBMNA-GFCCVEGCSA-N 1 0 298.415 3.726 50 0 CHAARO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cnn(C)c1 ZINC000095421532 570371687 /nfs/dbraw/zinc/37/16/87/570371687.db2.gz JCRHAKYNJRCVAR-CXAGYDPISA-N 1 0 269.392 3.538 50 0 CHAARO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cnn(C)c1 ZINC000095421531 570371894 /nfs/dbraw/zinc/37/18/94/570371894.db2.gz JCRHAKYNJRCVAR-SUMWQHHRSA-N 1 0 269.392 3.538 50 0 CHAARO C[n+]1cccc([C@@H]2O[C@@H]3CCCC[C@@H]3C3=CCCC[C@H]32)c1 ZINC000012655905 570395490 /nfs/dbraw/zinc/39/54/90/570395490.db2.gz RSUINDYISXUKNH-MKXGPGLRSA-N 1 0 284.423 3.868 50 0 biogenic CHAARO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cncs2)c1 ZINC000093512810 570396143 /nfs/dbraw/zinc/39/61/43/570396143.db2.gz NLGKNFBIGLHPFB-INIZCTEOSA-N 1 0 287.432 3.546 50 0 CHAARO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N2CCCC2=O)cc1 ZINC000079064270 570396598 /nfs/dbraw/zinc/39/65/98/570396598.db2.gz SEDKIYSEGBUOIX-JKSUJKDBSA-N 1 0 298.430 3.820 50 0 CHAARO CC(C)CC(C)(C)[NH2+]Cc1ccc(OC(C)C)c(CO)c1 ZINC000952976395 614020630 /nfs/dbraw/zinc/02/06/30/614020630.db2.gz SBWRQIOIUVEOSN-UHFFFAOYSA-N 1 0 293.451 3.880 50 0 CHAARO CCCO[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000952982039 614951761 /nfs/dbraw/zinc/95/17/61/614951761.db2.gz VBWCNSPLRPTUNH-HNNXBMFYSA-N 1 0 273.376 3.824 50 0 CHAARO CCc1ccc(C[N@H+](C)Cc2ccc3ccn(C)c3c2)nc1 ZINC000215769371 1125577378 /nfs/dbraw/zinc/57/73/78/1125577378.db2.gz KVQONOGIRDCOTI-UHFFFAOYSA-N 1 0 293.414 3.768 50 0 CHAARO COc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055008564 1125656215 /nfs/dbraw/zinc/65/62/15/1125656215.db2.gz BYKSFFSOWJMRHF-LJQANCHMSA-N 1 0 290.366 3.679 50 0 CHAARO CC[NH+](CC)Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000000439292 1118017924 /nfs/dbraw/zinc/01/79/24/1118017924.db2.gz TVVQMHPFHACSJP-SFHVURJKSA-N 1 0 269.388 3.610 50 0 CHAARO CSC1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000193655480 1118067582 /nfs/dbraw/zinc/06/75/82/1118067582.db2.gz ZSQNSRDCYPTJSE-UHFFFAOYSA-N 1 0 284.428 3.734 50 0 CHAARO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000078947888 1118335463 /nfs/dbraw/zinc/33/54/63/1118335463.db2.gz SPHOTXIWNLCTLH-OLZOCXBDSA-N 1 0 270.467 3.558 50 0 CHAARO O[C@H](C[N@H+]1CC=C(Cc2ccccc2)CC1)c1ccccc1 ZINC000002491007 1118570295 /nfs/dbraw/zinc/57/02/95/1118570295.db2.gz CCDMAYQKTKHVBW-HXUWFJFHSA-N 1 0 293.410 3.595 50 0 CHAARO c1[nH]c2ccccc2c1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000002498870 1118575074 /nfs/dbraw/zinc/57/50/74/1118575074.db2.gz DPDTXZNDKKOIDJ-SFHVURJKSA-N 1 0 290.410 3.858 50 0 CHAARO CC[C@@H]1CC[N@H+](CCCc2nc3ccccc3o2)[C@H]1C ZINC000252515663 1119532069 /nfs/dbraw/zinc/53/20/69/1119532069.db2.gz MLEANKHUJMHCKQ-UONOGXRCSA-N 1 0 272.392 3.881 50 0 CHAARO COc1ccccc1OCCCCC[NH+]1CCCCC1 ZINC000003106136 1119615916 /nfs/dbraw/zinc/61/59/16/1119615916.db2.gz AAWCQMWNQDMIII-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 CHAARO C[C@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)C1CC1 ZINC000177213387 1119779287 /nfs/dbraw/zinc/77/92/87/1119779287.db2.gz BXQPZVJMXOJMKC-LBPRGKRZSA-N 1 0 286.350 3.901 50 0 CHAARO Cc1nc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)n(C)c1C ZINC000952988631 1120211286 /nfs/dbraw/zinc/21/12/86/1120211286.db2.gz PIVSGLVJEPITEY-CQSZACIVSA-N 1 0 299.462 3.883 50 0 CHAARO O[C@]12CCCC[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)[NH2+]CC2 ZINC000004031350 1120323613 /nfs/dbraw/zinc/32/36/13/1120323613.db2.gz SSBAEOONJVCWQK-ILXRZTDVSA-N 1 0 299.336 3.661 50 0 CHAARO CC(C)C[N@H+]1Cc2cc(Cl)ccc2O[C@H](C)C1 ZINC000299769451 1120647472 /nfs/dbraw/zinc/64/74/72/1120647472.db2.gz PNMZNSUSEMVWLK-LLVKDONJSA-N 1 0 253.773 3.579 50 0 CHAARO CC(C)C[N@H+]1Cc2cc(Cl)ccc2O[C@@H](C)C1 ZINC000299769456 1120647620 /nfs/dbraw/zinc/64/76/20/1120647620.db2.gz PNMZNSUSEMVWLK-NSHDSACASA-N 1 0 253.773 3.579 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2F)cc1 ZINC000026311899 1121070706 /nfs/dbraw/zinc/07/07/06/1121070706.db2.gz JECDAKVQSAFSPN-GFCCVEGCSA-N 1 0 286.350 3.635 50 0 CHAARO CCc1cccc(CC)c1[C@H](OCC[NH2+]C)c1ccccn1 ZINC000252488616 1121652906 /nfs/dbraw/zinc/65/29/06/1121652906.db2.gz IVPBUMRCYPAPAN-LJQANCHMSA-N 1 0 298.430 3.532 50 0 CHAARO C[NH2+][C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000261361092 1121790832 /nfs/dbraw/zinc/79/08/32/1121790832.db2.gz HWRBGLOICMEQJI-KRWDZBQOSA-N 1 0 282.387 3.709 50 0 CHAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCc2nc(C)[nH]c2C1 ZINC000820389844 1121896302 /nfs/dbraw/zinc/89/63/02/1121896302.db2.gz JTXBZZOGVZLZCS-RIYZIHGNSA-N 1 0 273.424 3.769 50 0 CHAARO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000037771644 1129019687 /nfs/dbraw/zinc/01/96/87/1129019687.db2.gz WXKPKLAVKSNIAI-GFCCVEGCSA-N 1 0 261.390 3.916 50 0 CHAARO CC[C@H](C)Oc1ccccc1C[NH+]1CC(c2ccncc2)C1 ZINC000822645499 1121965593 /nfs/dbraw/zinc/96/55/93/1121965593.db2.gz TUMVUUDOHPXCRL-HNNXBMFYSA-N 1 0 296.414 3.858 50 0 CHAARO CCCC[C@@H]([NH2+]Cc1csc(NC(C)=O)n1)C1CCC1 ZINC000184884826 1129261709 /nfs/dbraw/zinc/26/17/09/1129261709.db2.gz HMIIJEWBLRNTAU-CQSZACIVSA-N 1 0 295.452 3.550 50 0 CHAARO Oc1cccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c1 ZINC000828924947 1129384456 /nfs/dbraw/zinc/38/44/56/1129384456.db2.gz IWNJPZVUZMSFCH-UHFFFAOYSA-N 1 0 291.394 3.953 50 0 CHAARO CCC(=O)O[C@]1(c2cccc(C)c2)C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000000327778 1129743053 /nfs/dbraw/zinc/74/30/53/1129743053.db2.gz SABQXRSQNPFMEG-RLFYNMQTSA-N 1 0 289.419 3.504 50 0 CHAARO Cc1cccc(CC[NH2+][C@@H](C)/C=C\c2cccs2)n1 ZINC000952876586 1132017291 /nfs/dbraw/zinc/01/72/91/1132017291.db2.gz CHZVPNHAIZWDQT-YXVBKTCISA-N 1 0 272.417 3.686 50 0 CHAARO C[C@@H](c1ccccc1)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000095947918 185038530 /nfs/dbraw/zinc/03/85/30/185038530.db2.gz JXJUDOWNFXSLKZ-YJBOKZPZSA-N 1 0 296.414 3.686 50 0 CHAARO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cccc(CO)c2)cc1 ZINC000095967746 185046771 /nfs/dbraw/zinc/04/67/71/185046771.db2.gz ANNWNAUGPYXHRA-HNNXBMFYSA-N 1 0 299.414 3.817 50 0 CHAARO COc1cc(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)ccn1 ZINC000096009151 185063793 /nfs/dbraw/zinc/06/37/93/185063793.db2.gz DTYNBAGDRHLBMN-IAGOWNOFSA-N 1 0 296.414 3.762 50 0 CHAARO CCOCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000096979502 185145190 /nfs/dbraw/zinc/14/51/90/185145190.db2.gz OAAONTXSSSHNPW-SFHVURJKSA-N 1 0 269.388 3.711 50 0 CHAARO [NH3+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000002576570 169812483 /nfs/dbraw/zinc/81/24/83/169812483.db2.gz RVNFCJGQVWHMKN-UHFFFAOYSA-N 1 0 251.251 3.831 50 0 CHAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(c3cc[nH]n3)CC2)o1 ZINC000097505378 185618318 /nfs/dbraw/zinc/61/83/18/185618318.db2.gz LWNFWXMYJVFGOQ-ZDUSSCGKSA-N 1 0 287.407 3.684 50 0 CHAARO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cccs1 ZINC000090659786 180018631 /nfs/dbraw/zinc/01/86/31/180018631.db2.gz XWOHDSHRTXEVPC-GFCCVEGCSA-N 1 0 299.399 3.691 50 0 CHAARO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)o1 ZINC000090727905 180033141 /nfs/dbraw/zinc/03/31/41/180033141.db2.gz QOPZJJRSBOSIGO-GXSJLCMTSA-N 1 0 262.353 3.647 50 0 CHAARO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000108929055 186237237 /nfs/dbraw/zinc/23/72/37/186237237.db2.gz MXNXUGZLEBGSEG-JHJVBQTASA-N 1 0 294.826 3.645 50 0 CHAARO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000108972911 186239039 /nfs/dbraw/zinc/23/90/39/186239039.db2.gz RLVQLZXINSMGIX-DGCLKSJQSA-N 1 0 294.826 3.707 50 0 CHAARO c1ccc(C(c2ccccc2)[C@@H]2CCCC[NH2+]2)cc1 ZINC000002582632 169814053 /nfs/dbraw/zinc/81/40/53/169814053.db2.gz RWTNXJXZVGHMGI-KRWDZBQOSA-N 1 0 251.373 3.961 50 0 in-vitro CHAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000248427391 189947818 /nfs/dbraw/zinc/94/78/18/189947818.db2.gz PCTABRSVSCXOCC-NXOAAHMSSA-N 1 0 295.492 3.623 50 0 CHAARO C[C@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000000411568 169634242 /nfs/dbraw/zinc/63/42/42/169634242.db2.gz HTDXYODRGKMOEA-AWEZNQCLSA-N 1 0 282.387 3.510 50 0 CHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1ccc3ccccc3n1)C2 ZINC000095375433 184958144 /nfs/dbraw/zinc/95/81/44/184958144.db2.gz HOFNHRWIYSKADZ-NVXWUHKLSA-N 1 0 295.430 3.545 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 ZINC000096500133 533449103 /nfs/dbraw/zinc/44/91/03/533449103.db2.gz UJIQJUPLJAYXKB-KGLIPLIRSA-N 1 0 287.359 3.587 50 0 CHAARO Clc1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002486280 169794555 /nfs/dbraw/zinc/79/45/55/169794555.db2.gz DLGOMJTYAIMQKT-UHFFFAOYSA-N 1 0 267.800 3.985 50 0 CHAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(C(C)(C)C)cc1 ZINC000002822134 169834448 /nfs/dbraw/zinc/83/44/48/169834448.db2.gz XNRADCHVBXGIRR-OAHLLOKOSA-N 1 0 293.451 3.768 50 0 CHAARO CC[C@H](C)[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000002824860 169835158 /nfs/dbraw/zinc/83/51/58/169835158.db2.gz LNLAZEVSEAUBNM-VIFPVBQESA-N 1 0 262.180 3.760 50 0 CHAARO Cc1ccc(OCCOCC[NH2+]C(C)C)c(C(C)(C)C)c1 ZINC000002975072 169846508 /nfs/dbraw/zinc/84/65/08/169846508.db2.gz MNISRHMKEMMIAB-UHFFFAOYSA-N 1 0 293.451 3.686 50 0 CHAARO O[C@]1(c2ccccc2)CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000003080591 169853681 /nfs/dbraw/zinc/85/36/81/169853681.db2.gz QMHZMMJDSLLMCF-WOJBJXKFSA-N 1 0 295.426 3.649 50 0 CHAARO c1ccc(COc2cccc(C[NH2+]C[C@@H]3CCCO3)c2)cc1 ZINC000004700844 170001420 /nfs/dbraw/zinc/00/14/20/170001420.db2.gz IOAMRPKRUAPWOJ-IBGZPJMESA-N 1 0 297.398 3.534 50 0 CHAARO Cc1cc(C)cc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004724648 170006158 /nfs/dbraw/zinc/00/61/58/170006158.db2.gz OCLHVHHCVCPPFH-IYBDPMFKSA-N 1 0 288.435 3.610 50 0 CHAARO C[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000004843313 170028896 /nfs/dbraw/zinc/02/88/96/170028896.db2.gz NRIZEVXLODJVFT-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO Cc1cc(Cl)ccc1OCC[NH+]1CCCCCC1 ZINC000004978642 170048159 /nfs/dbraw/zinc/04/81/59/170048159.db2.gz QRNHHXQEMRYQRP-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000004982727 170048596 /nfs/dbraw/zinc/04/85/96/170048596.db2.gz UWSIRIJRXMPDBR-SFHVURJKSA-N 1 0 282.387 3.817 50 0 CHAARO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CC)ccc1OC ZINC000004988187 170049293 /nfs/dbraw/zinc/04/92/93/170049293.db2.gz WBTWIXVQCKNXGD-HNNXBMFYSA-N 1 0 277.408 3.858 50 0 CHAARO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000004989310 170049803 /nfs/dbraw/zinc/04/98/03/170049803.db2.gz UJLVVIGETAHADM-OAHLLOKOSA-N 1 0 269.388 3.806 50 0 CHAARO COc1ccccc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000004989522 170049816 /nfs/dbraw/zinc/04/98/16/170049816.db2.gz NMBIYNFXPQRUNF-OAHLLOKOSA-N 1 0 269.388 3.806 50 0 CHAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000004989531 170049933 /nfs/dbraw/zinc/04/99/33/170049933.db2.gz WXDYBOQYGRPRJT-OAHLLOKOSA-N 1 0 299.414 3.815 50 0 CHAARO c1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc2c1OCO2 ZINC000004989014 170049999 /nfs/dbraw/zinc/04/99/99/170049999.db2.gz FBTJXUABPIYEHS-CABCVRRESA-N 1 0 273.376 3.570 50 0 CHAARO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CCC[C@@H](C)C1)CC2 ZINC000004989356 170050084 /nfs/dbraw/zinc/05/00/84/170050084.db2.gz ZQIOKZDDGDLJOJ-CJNGLKHVSA-N 1 0 289.419 3.641 50 0 CHAARO COc1cc(C[NH2+]C2CCCCCC2)cc(OC)c1 ZINC000004989385 170050185 /nfs/dbraw/zinc/05/01/85/170050185.db2.gz KBSNPHYWUOYSKB-UHFFFAOYSA-N 1 0 263.381 3.516 50 0 CHAARO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CCC[C@H](C)C1)CC2 ZINC000004989357 170050257 /nfs/dbraw/zinc/05/02/57/170050257.db2.gz ZQIOKZDDGDLJOJ-BBRMVZONSA-N 1 0 289.419 3.641 50 0 CHAARO CC(C)(C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004990910 170050903 /nfs/dbraw/zinc/05/09/03/170050903.db2.gz KIGKYGFQKMRWDB-UHFFFAOYSA-N 1 0 274.408 3.657 50 0 CHAARO C[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000004997018 170052227 /nfs/dbraw/zinc/05/22/27/170052227.db2.gz VSGLJOVBAUZFSY-CZUORRHYSA-N 1 0 256.393 3.879 50 0 CHAARO COc1ccc(CC[NH2+]C2CCCCCC2)cc1OC ZINC000005007130 170054236 /nfs/dbraw/zinc/05/42/36/170054236.db2.gz PDMKINSAGUMOON-UHFFFAOYSA-N 1 0 277.408 3.559 50 0 CHAARO Cc1ccc(Cl)c(OCCC[NH2+]C(C)(C)C)c1 ZINC000005023834 170056913 /nfs/dbraw/zinc/05/69/13/170056913.db2.gz NUIFXGUXSBIJIJ-UHFFFAOYSA-N 1 0 255.789 3.805 50 0 CHAARO CCOc1cc(C[NH2+]CC(C)C)ccc1OCC(C)C ZINC000005078349 170064342 /nfs/dbraw/zinc/06/43/42/170064342.db2.gz WQFGAASLOAKGKO-UHFFFAOYSA-N 1 0 279.424 3.866 50 0 CHAARO CC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000006326213 170191539 /nfs/dbraw/zinc/19/15/39/170191539.db2.gz FSZQAJRUAFRNHN-UHFFFAOYSA-N 1 0 289.350 3.523 50 0 CHAARO [NH3+]CC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006645472 170221712 /nfs/dbraw/zinc/22/17/12/170221712.db2.gz DCSAIHCINAREQI-HNNXBMFYSA-N 1 0 263.743 3.960 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCCCCCC1 ZINC000007486859 170287164 /nfs/dbraw/zinc/28/71/64/170287164.db2.gz DOQOLTBJXFQSIB-UHFFFAOYSA-N 1 0 284.403 3.925 50 0 CHAARO Fc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1Cl ZINC000007539873 170290351 /nfs/dbraw/zinc/29/03/51/170290351.db2.gz URBTXDMSQVBHOK-UHFFFAOYSA-N 1 0 265.715 3.991 50 0 CHAARO CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 ZINC000008741186 170353252 /nfs/dbraw/zinc/35/32/52/170353252.db2.gz JUPFLPUZNPSCHZ-UHFFFAOYSA-N 1 0 277.391 3.965 50 0 CHAARO C[NH+]1CCC2(CC1)O[C@H]1CCCC[C@@H]1c1sccc12 ZINC000008782739 170355932 /nfs/dbraw/zinc/35/59/32/170355932.db2.gz JVVJQXXUHSTANP-JSGCOSHPSA-N 1 0 277.433 3.725 50 0 CHAARO Cc1ccc2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc2c1 ZINC000009424270 170376504 /nfs/dbraw/zinc/37/65/04/170376504.db2.gz GXYYOVFUIVCZJR-UHFFFAOYSA-N 1 0 270.376 3.671 50 0 CHAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000015070040 170656025 /nfs/dbraw/zinc/65/60/25/170656025.db2.gz MLYJAHMWLJYWLU-CYBMUJFWSA-N 1 0 296.418 3.830 50 0 CHAARO c1ccc(C[C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019848891 170897581 /nfs/dbraw/zinc/89/75/81/170897581.db2.gz LHVNPTMRAQQPID-QGZVFWFLSA-N 1 0 262.356 3.597 50 0 biogenic CHAARO CC(C)c1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000020028142 170973372 /nfs/dbraw/zinc/97/33/72/170973372.db2.gz ABAYPBNJVATNDZ-SFHVURJKSA-N 1 0 269.388 3.633 50 0 CHAARO CC(C)[C@@H](CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020573506 171255937 /nfs/dbraw/zinc/25/59/37/171255937.db2.gz ZPXUGMZHJKKAIN-MRXNPFEDSA-N 1 0 281.827 3.802 50 0 CHAARO CC(C)[C@H](CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020573507 171256101 /nfs/dbraw/zinc/25/61/01/171256101.db2.gz ZPXUGMZHJKKAIN-INIZCTEOSA-N 1 0 281.827 3.802 50 0 CHAARO FC(F)(F)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020595716 171264335 /nfs/dbraw/zinc/26/43/35/171264335.db2.gz FKBXQPBMPRUANF-LBPRGKRZSA-N 1 0 273.298 3.616 50 0 CHAARO N[C@H](c1ccc(Cl)cc1)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000021303921 171301558 /nfs/dbraw/zinc/30/15/58/171301558.db2.gz HHPPUZSHKRJDIW-ZIAGYGMSSA-N 1 0 281.186 3.693 50 0 CHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000021720554 171320560 /nfs/dbraw/zinc/32/05/60/171320560.db2.gz POPIVCXGXZLMGP-OAHLLOKOSA-N 1 0 274.339 3.768 50 0 CHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC000021720181 171320610 /nfs/dbraw/zinc/32/06/10/171320610.db2.gz GCNNZQAHSQUNTB-MRXNPFEDSA-N 1 0 270.376 3.937 50 0 CHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000021720454 171320995 /nfs/dbraw/zinc/32/09/95/171320995.db2.gz SMDUSVFLRABPSM-OAHLLOKOSA-N 1 0 274.339 3.768 50 0 CHAARO CC(C)(C)OC(=O)Nc1cccc(C2CC[NH2+]CC2)c1 ZINC000022015193 171349637 /nfs/dbraw/zinc/34/96/37/171349637.db2.gz XYHFIZFIVZIEBS-UHFFFAOYSA-N 1 0 276.380 3.501 50 0 CHAARO Cc1ccnc2c1c1c(n2-c2ccccc2)[C@H](C)[NH2+]CC1 ZINC000022611959 171394170 /nfs/dbraw/zinc/39/41/70/171394170.db2.gz MJRZEKUIPBXGEM-ZDUSSCGKSA-N 1 0 277.371 3.541 50 0 CHAARO Cc1ccnc2c1c1c(n2-c2ccccc2)[C@@H](C)[NH2+]CC1 ZINC000022611961 171394190 /nfs/dbraw/zinc/39/41/90/171394190.db2.gz MJRZEKUIPBXGEM-CYBMUJFWSA-N 1 0 277.371 3.541 50 0 CHAARO Cc1[nH]c2ccc(C)cc2c1CC[NH2+]Cc1ccncc1 ZINC000022628197 171395324 /nfs/dbraw/zinc/39/53/24/171395324.db2.gz NQLIWHVTGYMGFC-UHFFFAOYSA-N 1 0 279.387 3.512 50 0 CHAARO C[NH2+]Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC000034656742 171850105 /nfs/dbraw/zinc/85/01/05/171850105.db2.gz NETAFJOWOVXCKB-UHFFFAOYSA-N 1 0 269.388 3.910 50 0 CHAARO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)o1 ZINC000035018974 171937033 /nfs/dbraw/zinc/93/70/33/171937033.db2.gz JKZZIOOSGVUOSO-AWEZNQCLSA-N 1 0 281.359 3.625 50 0 CHAARO COc1ccc(C[NH2+][C@H](C)c2cc(C)sc2C)cc1O ZINC000035252889 172082824 /nfs/dbraw/zinc/08/28/24/172082824.db2.gz KQEBAOWATCLIPU-LLVKDONJSA-N 1 0 291.416 3.930 50 0 CHAARO Fc1ccc(CC[NH2+]C/C=C\c2ccccc2)cc1 ZINC000035535572 172243731 /nfs/dbraw/zinc/24/37/31/172243731.db2.gz BTASBOXZUDJYRI-DAXSKMNVSA-N 1 0 255.336 3.671 50 0 CHAARO CCC[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000037184375 173016552 /nfs/dbraw/zinc/01/65/52/173016552.db2.gz JDVMATJPAXIXLQ-LBPRGKRZSA-N 1 0 256.187 3.900 50 0 CHAARO CC[C@H]([NH2+]C(C)C)c1cccc(Br)c1 ZINC000037186265 173017444 /nfs/dbraw/zinc/01/74/44/173017444.db2.gz UXRSSSHWGNWZPN-LBPRGKRZSA-N 1 0 256.187 3.898 50 0 CHAARO CC[NH+](CC)Cc1ccc(CNC(=O)CC(C)(C)C)cc1 ZINC000039995669 174181814 /nfs/dbraw/zinc/18/18/14/174181814.db2.gz SSELGPMUGHFPQL-UHFFFAOYSA-N 1 0 290.451 3.581 50 0 CHAARO Clc1ccc(OCCC2CC[NH2+]CC2)c2ncccc12 ZINC000042771398 174871473 /nfs/dbraw/zinc/87/14/73/174871473.db2.gz SQFWJIRXNVDFLX-UHFFFAOYSA-N 1 0 290.794 3.657 50 0 CHAARO CCC(C)(C)c1ccc(O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775308 174873971 /nfs/dbraw/zinc/87/39/71/174873971.db2.gz VBMHGRYQMGIPEC-GFCCVEGCSA-N 1 0 267.800 3.768 50 0 CHAARO Clc1cc(Cl)c(O[C@H]2CCC[NH2+]C2)cc1Cl ZINC000042776154 174874428 /nfs/dbraw/zinc/87/44/28/174874428.db2.gz WVGAVWOXADKOFA-ZETCQYMHSA-N 1 0 280.582 3.778 50 0 CHAARO Clc1cc(Cl)c(OC2CC[NH2+]CC2)cc1Cl ZINC000042776158 174874448 /nfs/dbraw/zinc/87/44/48/174874448.db2.gz QEWUTJJYBLRRDS-UHFFFAOYSA-N 1 0 280.582 3.778 50 0 CHAARO CC1CCC2(CC1)NCCC[NH+]=C2NC1CCCCCC1 ZINC000064761537 175698064 /nfs/dbraw/zinc/69/80/64/175698064.db2.gz XZTDEIVXSATARQ-UHFFFAOYSA-N 1 0 291.483 3.640 50 0 biogenic CHAARO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000070657883 175999547 /nfs/dbraw/zinc/99/95/47/175999547.db2.gz QRMYKNDQERPTPB-IUCAKERBSA-N 1 0 292.242 3.586 50 0 CHAARO Cc1nc2cc(-c3cccc4c3CC[NH2+]C4)ccc2s1 ZINC000071551793 176196450 /nfs/dbraw/zinc/19/64/50/176196450.db2.gz OPHFOWCTOZHKAA-UHFFFAOYSA-N 1 0 280.396 3.917 50 0 CHAARO FC(F)(F)c1cccc(CC[C@@H]2CCC[NH2+]C2)c1 ZINC000071576253 176203552 /nfs/dbraw/zinc/20/35/52/176203552.db2.gz HMUYPMAEDRTJSR-LBPRGKRZSA-N 1 0 257.299 3.638 50 0 CHAARO FC(F)(F)c1cccc(CC[C@H]2CCC[NH2+]C2)c1 ZINC000071576256 176203788 /nfs/dbraw/zinc/20/37/88/176203788.db2.gz HMUYPMAEDRTJSR-GFCCVEGCSA-N 1 0 257.299 3.638 50 0 CHAARO CNc1cc(C)[nH+]c(NCc2ccc3[nH]c(C)c(C)c3c2)n1 ZINC000071730514 176256021 /nfs/dbraw/zinc/25/60/21/176256021.db2.gz PPGDPTZJEJVGLX-UHFFFAOYSA-N 1 0 295.390 3.537 50 0 CHAARO Oc1ccc2cc(-c3cccc4c3CC[NH2+]C4)ccc2c1 ZINC000071747259 176258839 /nfs/dbraw/zinc/25/88/39/176258839.db2.gz VQIHRXLWFCZWGE-UHFFFAOYSA-N 1 0 275.351 3.858 50 0 CHAARO C[NH+](C)CC(C)(C)CNc1cccc2ccccc21 ZINC000071771267 176262407 /nfs/dbraw/zinc/26/24/07/176262407.db2.gz KLRGKMJCZIGJHR-UHFFFAOYSA-N 1 0 256.393 3.840 50 0 CHAARO COc1cc(C)ccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072138920 176322906 /nfs/dbraw/zinc/32/29/06/176322906.db2.gz WXFBCVPJGDIEIW-JKSUJKDBSA-N 1 0 289.419 3.647 50 0 CHAARO CCC[NH2+]Cc1ccc(-c2ccnc3[nH]ccc32)cc1 ZINC000072141820 176323557 /nfs/dbraw/zinc/32/35/57/176323557.db2.gz KJQLDELFOQFZEE-UHFFFAOYSA-N 1 0 265.360 3.730 50 0 CHAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000072156240 176328426 /nfs/dbraw/zinc/32/84/26/176328426.db2.gz CAKGDXXJHNIWSX-LBPRGKRZSA-N 1 0 295.839 3.662 50 0 CHAARO Cc1ccccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072162287 176329674 /nfs/dbraw/zinc/32/96/74/176329674.db2.gz OXLJELGHTLWXPW-JKSUJKDBSA-N 1 0 259.393 3.638 50 0 CHAARO CC[C@H]([NH2+]C)c1ccc(-c2cc(NC)nc3[nH]ccc32)cc1 ZINC000072166873 176331500 /nfs/dbraw/zinc/33/15/00/176331500.db2.gz VIUIQXQNEBVCNR-INIZCTEOSA-N 1 0 294.402 3.942 50 0 CHAARO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccn2)o1 ZINC000072167476 176331610 /nfs/dbraw/zinc/33/16/10/176331610.db2.gz RLDRDPLBQAZELB-INIZCTEOSA-N 1 0 256.349 3.710 50 0 CHAARO Cc1ncsc1CC[N@@H+](C)Cc1cc2ccccc2n1C ZINC000072423881 176401488 /nfs/dbraw/zinc/40/14/88/176401488.db2.gz SKAFIPKIRMUQSS-UHFFFAOYSA-N 1 0 299.443 3.618 50 0 CHAARO Cn1ccc2c1nccc2-c1cccc([C@H]2CCC[NH2+]2)c1 ZINC000077304089 177250445 /nfs/dbraw/zinc/25/04/45/177250445.db2.gz DSZJXTJZFDEEEL-QGZVFWFLSA-N 1 0 277.371 3.665 50 0 CHAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000078553165 177353620 /nfs/dbraw/zinc/35/36/20/177353620.db2.gz ASTLZTSCRGOWDR-VIFPVBQESA-N 1 0 295.789 3.680 50 0 CHAARO COc1ccc(C[NH2+][C@H]2C[C@H](C)c3ccccc32)cc1O ZINC000078553784 177353988 /nfs/dbraw/zinc/35/39/88/177353988.db2.gz YVFRZIVDPQVFBE-LRDDRELGSA-N 1 0 283.371 3.739 50 0 CHAARO C[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000004959767 326813532 /nfs/dbraw/zinc/81/35/32/326813532.db2.gz GDRWQEOJSGTFNQ-CQSZACIVSA-N 1 0 264.372 3.579 50 0 CHAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000152632527 329528369 /nfs/dbraw/zinc/52/83/69/329528369.db2.gz PCTABRSVSCXOCC-YLFCFFPRSA-N 1 0 295.492 3.623 50 0 CHAARO CCOC1CC2(C1)CC[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000289731824 521654442 /nfs/dbraw/zinc/65/44/42/521654442.db2.gz PVDDWXYRIKEQHK-UHFFFAOYSA-N 1 0 284.403 3.559 50 0 CHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CCc2ccccc2C)C1 ZINC000012316636 527211645 /nfs/dbraw/zinc/21/16/45/527211645.db2.gz NNVMXJYTVORANY-QGZVFWFLSA-N 1 0 297.446 3.871 50 0 CHAARO CC[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000004893738 529350203 /nfs/dbraw/zinc/35/02/03/529350203.db2.gz SFUWCNMJJPKLAD-HZPDHXFCSA-N 1 0 288.435 3.813 50 0 CHAARO Clc1ccc(SC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000095908594 567909311 /nfs/dbraw/zinc/90/93/11/567909311.db2.gz OQWSLDAPYXRVNA-QYJAPNMZSA-N 1 0 253.798 3.715 50 0 CHAARO CC[C@@H](C)C[N@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000170659237 570375988 /nfs/dbraw/zinc/37/59/88/570375988.db2.gz PYWLIISSNBPZAM-CYBMUJFWSA-N 1 0 265.397 3.572 50 0 CHAARO CC(C)[NH+]1CCC(Nc2ccc(C3CC3)c(F)c2)CC1 ZINC000240894798 566826477 /nfs/dbraw/zinc/82/64/77/566826477.db2.gz IPYVOBKUOWADDW-UHFFFAOYSA-N 1 0 276.399 3.988 50 0 CHAARO C[C@H]([NH2+]C1(CO)CCC1)c1ccc(SC(F)F)cc1 ZINC000182428862 566840234 /nfs/dbraw/zinc/84/02/34/566840234.db2.gz YWFGQAINVWPKHP-JTQLQIEISA-N 1 0 287.375 3.567 50 0 CHAARO CC[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000058790618 566844833 /nfs/dbraw/zinc/84/48/33/566844833.db2.gz ZRATXKPGBYTWGC-LBPRGKRZSA-N 1 0 260.406 3.918 50 0 CHAARO C[C@@H](c1ccc(-c2ccsc2)cc1)[NH+]1CCOCC1 ZINC000032553298 566862136 /nfs/dbraw/zinc/86/21/36/566862136.db2.gz JUKFBTKSPQGVBH-ZDUSSCGKSA-N 1 0 273.401 3.808 50 0 CHAARO C[n+]1ccccc1/C=C\c1c(Cl)cccc1Cl ZINC000004582358 566867559 /nfs/dbraw/zinc/86/75/59/566867559.db2.gz HILYGOLOXTXUTE-HJWRWDBZSA-N 1 0 265.163 3.988 50 0 CHAARO O=C1C2(CCCCC2)[C@@H]([NH+]2CCCC2)[C@]12CC=CCC2 ZINC000043215043 566916563 /nfs/dbraw/zinc/91/65/63/566916563.db2.gz XPHRGMDHYLOARH-DOTOQJQBSA-N 1 0 273.420 3.711 50 0 CHAARO Cc1cccc(NC(=O)[C@H](C)N(C)Cc2ccsc2)c1 ZINC000012917022 566928912 /nfs/dbraw/zinc/92/89/12/566928912.db2.gz GGKPXLODLVSJTN-ZDUSSCGKSA-N 1 0 288.416 3.516 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](C)CCCO)o1 ZINC000088762895 566935889 /nfs/dbraw/zinc/93/58/89/566935889.db2.gz NELXIZGKGOGABA-GFCCVEGCSA-N 1 0 291.366 3.645 50 0 CHAARO c1coc(C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000092736148 566970109 /nfs/dbraw/zinc/97/01/09/566970109.db2.gz YLIGKRSHIIPCNY-UHFFFAOYSA-N 1 0 263.381 3.593 50 0 CHAARO CC(C)CC[N@@H+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@H]1C ZINC000248264594 566971529 /nfs/dbraw/zinc/97/15/29/566971529.db2.gz NRNKPUIJZXENIG-LZLYRXPVSA-N 1 0 275.436 3.651 50 0 CHAARO CC(C)CC[N@@H+]1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C ZINC000248264593 566971672 /nfs/dbraw/zinc/97/16/72/566971672.db2.gz NRNKPUIJZXENIG-JZXOWHBKSA-N 1 0 275.436 3.651 50 0 CHAARO CCc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nn1C ZINC000426382816 566988937 /nfs/dbraw/zinc/98/89/37/566988937.db2.gz VAGUEJMFLBJPCM-AWEZNQCLSA-N 1 0 298.434 3.591 50 0 CHAARO Cc1nc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)c(C)[nH]1 ZINC000426667745 566990906 /nfs/dbraw/zinc/99/09/06/566990906.db2.gz ZNEHTJYRYKWOPZ-CYBMUJFWSA-N 1 0 269.392 3.850 50 0 CHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)C(C)C)c1 ZINC000036100333 566993169 /nfs/dbraw/zinc/99/31/69/566993169.db2.gz RPFXQAQHDMXBMB-SFHVURJKSA-N 1 0 293.451 3.560 50 0 CHAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@H](O)C(C)C)c1 ZINC000036100716 566993230 /nfs/dbraw/zinc/99/32/30/566993230.db2.gz OUBZDXHQUXJKQK-SFHVURJKSA-N 1 0 277.452 3.860 50 0 CHAARO CC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000239173673 567007532 /nfs/dbraw/zinc/00/75/32/567007532.db2.gz OKNRTYWYWMOJGO-HCXYKTFWSA-N 1 0 281.399 3.849 50 0 CHAARO CC1=C(C[C@H]2[NH2+]CCc3nc[nH]c32)C(C)(C)CCC1 ZINC000065432233 567007625 /nfs/dbraw/zinc/00/76/25/567007625.db2.gz QAXWIIAKIHFMSV-CQSZACIVSA-N 1 0 259.397 3.513 50 0 CHAARO CC[NH+](CC)Cc1c(-c2ccccc2)nc2sccn12 ZINC000004565787 567019432 /nfs/dbraw/zinc/01/94/32/567019432.db2.gz QAMWLRZMOWYVDF-UHFFFAOYSA-N 1 0 285.416 3.905 50 0 CHAARO COc1cc(C)ccc1OCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000002822856 567036390 /nfs/dbraw/zinc/03/63/90/567036390.db2.gz XWYUDWFBWDHLML-MRXNPFEDSA-N 1 0 291.435 3.895 50 0 CHAARO CC(C)(C)C1CCC([NH2+]CCCOC[C@@H]2CCOC2)CC1 ZINC000170642686 567056871 /nfs/dbraw/zinc/05/68/71/567056871.db2.gz VWNUBGWQJYKHIB-GTPINHCMSA-N 1 0 297.483 3.624 50 0 CHAARO COc1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000037486651 567066739 /nfs/dbraw/zinc/06/67/39/567066739.db2.gz MXOLARFNIKIGMK-UHFFFAOYSA-N 1 0 278.355 3.533 50 0 CHAARO Fc1cccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000055028075 567099678 /nfs/dbraw/zinc/09/96/78/567099678.db2.gz ONYKPVGUPQMSPC-SFHVURJKSA-N 1 0 278.330 3.809 50 0 CHAARO c1ccc2c(c1)C[C@@H]1C[NH2+]Cc3cccc(c31)S2 ZINC000019801713 567121956 /nfs/dbraw/zinc/12/19/56/567121956.db2.gz YNLKJTVSDMCHHI-CYBMUJFWSA-N 1 0 253.370 3.581 50 0 CHAARO C[C@@H]([NH2+]Cc1ccnc(OCC2CC2)c1)c1cccs1 ZINC000095422229 567131014 /nfs/dbraw/zinc/13/10/14/567131014.db2.gz VIWFZMRNWQGUKM-GFCCVEGCSA-N 1 0 288.416 3.783 50 0 CHAARO Cc1ccc(SCC[NH2+][C@H](C)c2cnccn2)cc1C ZINC000095419247 567131947 /nfs/dbraw/zinc/13/19/47/567131947.db2.gz WYWZGLBRUVPOJK-CQSZACIVSA-N 1 0 287.432 3.536 50 0 CHAARO C[C@H]1CCCN(Cc2cc(N3CCC[C@H](C)C3)cc[nH+]2)C1 ZINC000095446880 567134725 /nfs/dbraw/zinc/13/47/25/567134725.db2.gz ZTKMJXOZSKARBH-HOTGVXAUSA-N 1 0 287.451 3.550 50 0 CHAARO Cc1[nH+]c2ccccc2c(N2CCC[C@@H](O)C2)c1C(C)C ZINC000096006346 567136847 /nfs/dbraw/zinc/13/68/47/567136847.db2.gz CZEGFLZZHLTUKH-CQSZACIVSA-N 1 0 284.403 3.628 50 0 CHAARO COCC[C@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000670434625 567164634 /nfs/dbraw/zinc/16/46/34/567164634.db2.gz JCWDPXZLXWWMBW-LLVKDONJSA-N 1 0 273.829 3.650 50 0 CHAARO C[N@H+](CC[C@@H]1CC1(F)F)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000670436109 567166904 /nfs/dbraw/zinc/16/69/04/567166904.db2.gz OSDKUEFAUYVOBJ-SECBINFHSA-N 1 0 299.752 3.693 50 0 CHAARO O=C(C[NH2+]C1CC1)Nc1ccccc1Sc1ccccc1 ZINC000003310784 567168710 /nfs/dbraw/zinc/16/87/10/567168710.db2.gz PAPFSAKQYMLEIQ-UHFFFAOYSA-N 1 0 298.411 3.528 50 0 CHAARO CC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004119588 567187725 /nfs/dbraw/zinc/18/77/25/567187725.db2.gz OKNRTYWYWMOJGO-NCXUSEDFSA-N 1 0 281.399 3.849 50 0 CHAARO C[NH+](C)CCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000000007578 567816422 /nfs/dbraw/zinc/81/64/22/567816422.db2.gz OCWQYTKVXQUMNM-UHFFFAOYSA-N 1 0 264.372 3.939 50 0 CHAARO Cc1ccc2[nH+]c(C)cc(NCc3cccnc3)c2c1 ZINC000000120791 567818610 /nfs/dbraw/zinc/81/86/10/567818610.db2.gz PLBJONGVKSDDOL-UHFFFAOYSA-N 1 0 263.344 3.859 50 0 CHAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cccs1 ZINC000000177670 567821651 /nfs/dbraw/zinc/82/16/51/567821651.db2.gz PNZHYJLPSXGIOW-HNNXBMFYSA-N 1 0 285.412 3.810 50 0 aggregator CHAARO Cc1cccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000000182738 567821759 /nfs/dbraw/zinc/82/17/59/567821759.db2.gz JAWJYPSOUVXIGQ-QGZVFWFLSA-N 1 0 262.356 3.711 50 0 CHAARO CC(C)c1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1 ZINC000000213041 567822500 /nfs/dbraw/zinc/82/25/00/567822500.db2.gz LOTKUUXABDKAIX-HNNXBMFYSA-N 1 0 254.377 3.745 50 0 CHAARO c1ccc(N2CC[NH+](C3CCCCCCC3)CC2)cc1 ZINC000000219975 567822531 /nfs/dbraw/zinc/82/25/31/567822531.db2.gz GTOSNJIMSXLLHI-UHFFFAOYSA-N 1 0 272.436 3.922 50 0 CHAARO Cc1ccc(C)c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000000239604 567822837 /nfs/dbraw/zinc/82/28/37/567822837.db2.gz MOXSMRPAPDXNGK-UHFFFAOYSA-N 1 0 298.405 3.765 50 0 CHAARO CC(C)Oc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000000288906 567824084 /nfs/dbraw/zinc/82/40/84/567824084.db2.gz LXLNQDXQTIDKMZ-HNNXBMFYSA-N 1 0 277.408 3.521 50 0 biogenic CHAARO Fc1ccccc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000000316685 567825307 /nfs/dbraw/zinc/82/53/07/567825307.db2.gz PMWXHDWMZBAWFE-UHFFFAOYSA-N 1 0 290.426 3.666 50 0 CHAARO Fc1ccc(-[n+]2cn3c(c2-c2ccccc2)SCC3)cc1 ZINC000000408963 567829563 /nfs/dbraw/zinc/82/95/63/567829563.db2.gz MCOGMBSHVBMHDU-UHFFFAOYSA-N 1 0 297.378 3.677 50 0 CHAARO CC[NH+](CC)CCn1c2ccccc2c2nc(C)sc21 ZINC000000541646 567833501 /nfs/dbraw/zinc/83/35/01/567833501.db2.gz MKWNXTOAYQUENM-UHFFFAOYSA-N 1 0 287.432 3.901 50 0 CHAARO CCCCCC[C@@H](C(=O)OCCC)[NH+]1CCCCC1 ZINC000096026410 567835154 /nfs/dbraw/zinc/83/51/54/567835154.db2.gz UKMOXTAAWNVKPN-HNNXBMFYSA-N 1 0 269.429 3.765 50 0 CHAARO C[C@H]1C[N@@H+](C2CCCCC2)CC[C@]1(O)c1ccccc1 ZINC000000971905 567835297 /nfs/dbraw/zinc/83/52/97/567835297.db2.gz HAAVQZPZYWUDMD-MAUKXSAKSA-N 1 0 273.420 3.549 50 0 CHAARO CC[NH2+][C@@]1(c2ccccc2C(F)(F)F)CCCCC1=O ZINC000096027240 567836477 /nfs/dbraw/zinc/83/64/77/567836477.db2.gz UVJFUTYQZLHMDH-CQSZACIVSA-N 1 0 285.309 3.653 50 0 CHAARO Cc1ccccc1[C@@](O)(c1ccccc1)C(C)(C)[NH+](C)C ZINC000096027442 567836961 /nfs/dbraw/zinc/83/69/61/567836961.db2.gz VXUNRZVIYQMYOU-IBGZPJMESA-N 1 0 283.415 3.571 50 0 CHAARO CCCOc1ccc(OCCC[NH2+][C@@H](C)CC)cc1 ZINC000002822811 567849430 /nfs/dbraw/zinc/84/94/30/567849430.db2.gz MPHRNRNZAMQDDX-AWEZNQCLSA-N 1 0 265.397 3.632 50 0 CHAARO COCCC[NH2+]CCOc1ccc(Cl)cc1C(C)(C)C ZINC000003003885 567851467 /nfs/dbraw/zinc/85/14/67/567851467.db2.gz MBPHQMNDFLITOS-UHFFFAOYSA-N 1 0 299.842 3.642 50 0 CHAARO COc1ccc2ccccc2c1/C=C/c1cc[n+](C)cc1 ZINC000003099569 567851479 /nfs/dbraw/zinc/85/14/79/567851479.db2.gz YWSUJAUXUQIXRR-VQHVLOKHSA-N 1 0 276.359 3.843 50 0 CHAARO Nc1ccc(C(c2ccc(N)cc2)=C2C=CC(=[NH2+])C=C2)cc1 ZINC000003861799 567854297 /nfs/dbraw/zinc/85/42/97/567854297.db2.gz AFAIELJLZYUNPW-UHFFFAOYSA-N 1 0 287.366 3.799 50 0 in-man CHAARO C[NH+](C)CCC(=O)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004128115 567855285 /nfs/dbraw/zinc/85/52/85/567855285.db2.gz CKBPBVOQBKBRML-SFHVURJKSA-N 1 0 281.399 3.534 50 0 CHAARO C/C=C(\C)CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000584904430 567860106 /nfs/dbraw/zinc/86/01/06/567860106.db2.gz XQVHUDAFCAUCJH-WOLLLPJESA-N 1 0 276.468 3.682 50 0 CHAARO C[C@@H]1C[C@]2(C[C@@H](C)[N@@H+](C)C[C@@H]2C)Nc2ccccc21 ZINC000013550843 567866338 /nfs/dbraw/zinc/86/63/38/567866338.db2.gz DSXWYDFCIRWJDM-UMPJEAMMSA-N 1 0 258.409 3.705 50 0 CHAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1F ZINC000032735875 567868085 /nfs/dbraw/zinc/86/80/85/567868085.db2.gz ULOPAHKPKNSJLU-AWEZNQCLSA-N 1 0 295.361 3.862 50 0 CHAARO CC(C)C[N@H+](CC(=O)Nc1cccc(Cl)c1)C(C)C ZINC000032810008 567868926 /nfs/dbraw/zinc/86/89/26/567868926.db2.gz BZSQQNMBIITYRE-UHFFFAOYSA-N 1 0 282.815 3.645 50 0 CHAARO Cc1cc(C)n(-c2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000032819292 567869050 /nfs/dbraw/zinc/86/90/50/567869050.db2.gz OERLQSIVDHTJEI-HUUCEWRRSA-N 1 0 297.446 3.967 50 0 CHAARO c1ccc(Oc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631728 567869559 /nfs/dbraw/zinc/86/95/59/567869559.db2.gz JLOHZNPPAVOVTQ-QGZVFWFLSA-N 1 0 269.344 3.610 50 0 CHAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000014970809 567869709 /nfs/dbraw/zinc/86/97/09/567869709.db2.gz AAZFPZJVTNLFOV-OAHLLOKOSA-N 1 0 287.403 3.533 50 0 CHAARO CC1(C)CC(N2CCCC2)=CC(=[N+]2CCCCCC2)C1 ZINC000015953122 567871917 /nfs/dbraw/zinc/87/19/17/567871917.db2.gz SZWJOMFGHPFQSN-UHFFFAOYSA-N 1 0 275.460 3.814 50 0 CHAARO C(CC1CCCC1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019221983 567877600 /nfs/dbraw/zinc/87/76/00/567877600.db2.gz FJOZOAVBQUVKAF-KRWDZBQOSA-N 1 0 264.457 3.517 50 0 CHAARO Fc1ccc(Oc2ccncc2)c(Br)c1 ZINC000019428234 567877747 /nfs/dbraw/zinc/87/77/47/567877747.db2.gz SJVJOTCFTZGJQG-UHFFFAOYSA-N 1 0 268.085 3.776 50 0 CHAARO C[C@@H](C[NH2+]C1CCCC1)Oc1ccc(Cl)cc1 ZINC000019738126 567878808 /nfs/dbraw/zinc/87/88/08/567878808.db2.gz MELXTMKTWCJGQC-NSHDSACASA-N 1 0 253.773 3.640 50 0 CHAARO Cc1ccc(CN2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000019841197 567879013 /nfs/dbraw/zinc/87/90/13/567879013.db2.gz QWVYDCPDWWAHDV-UHFFFAOYSA-N 1 0 294.442 3.621 50 0 CHAARO C1=CC[C@@H](CN2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000019790089 567879235 /nfs/dbraw/zinc/87/92/35/567879235.db2.gz KUIDKYKLCWSCLF-QGZVFWFLSA-N 1 0 276.468 3.683 50 0 CHAARO [NH3+]CCCN1c2ccccc2Sc2ccccc21 ZINC000019808142 567879348 /nfs/dbraw/zinc/87/93/48/567879348.db2.gz OJPDZEFBOMRMTK-UHFFFAOYSA-N 1 0 256.374 3.638 50 0 CHAARO Cc1ccccc1CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019789199 567879351 /nfs/dbraw/zinc/87/93/51/567879351.db2.gz GQGZDAIJASMBNA-UHFFFAOYSA-N 1 0 286.463 3.835 50 0 CHAARO CCCCC[NH2+]Cc1ccccc1Br ZINC000019901538 567879831 /nfs/dbraw/zinc/87/98/31/567879831.db2.gz PPNAFAWOJRKMQQ-UHFFFAOYSA-N 1 0 256.187 3.729 50 0 CHAARO CC[C@H](C)c1ccccc1OCCCC[NH+]1CCOCC1 ZINC000020118495 567880866 /nfs/dbraw/zinc/88/08/66/567880866.db2.gz OQURUCLNXSYDCY-INIZCTEOSA-N 1 0 291.435 3.691 50 0 CHAARO Cc1ccsc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000023280505 567881705 /nfs/dbraw/zinc/88/17/05/567881705.db2.gz HYZWVRSZLWLGLD-UHFFFAOYSA-N 1 0 278.465 3.507 50 0 CHAARO Cc1cc(NC[C@@H]2CCCO2)nc2cc(Cl)ccc12 ZINC000023634326 567882150 /nfs/dbraw/zinc/88/21/50/567882150.db2.gz LSPVRXNPKQWTFZ-LBPRGKRZSA-N 1 0 276.767 3.788 50 0 CHAARO FC(F)(F)c1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1 ZINC000026894276 567883311 /nfs/dbraw/zinc/88/33/11/567883311.db2.gz NNQXIGNKCSZMDB-UHFFFAOYSA-N 1 0 268.282 3.654 50 0 CHAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000000237952 567887379 /nfs/dbraw/zinc/88/73/79/567887379.db2.gz ZAHBOYXTZKYJPO-SFHVURJKSA-N 1 0 297.398 3.757 50 0 CHAARO CC[N@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000023282108 567888564 /nfs/dbraw/zinc/88/85/64/567888564.db2.gz DPCAIABNQIWFLG-UHFFFAOYSA-N 1 0 285.387 3.726 50 0 CHAARO CC(C)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000037129008 567890022 /nfs/dbraw/zinc/89/00/22/567890022.db2.gz OXECLDGMDZCMTQ-UHFFFAOYSA-N 1 0 270.214 3.930 50 0 CHAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001601 567890403 /nfs/dbraw/zinc/89/04/03/567890403.db2.gz YSUVURQIWGMWJH-HTQZYQBOSA-N 1 0 262.216 3.960 50 0 CHAARO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH3+] ZINC000040994047 567890792 /nfs/dbraw/zinc/89/07/92/567890792.db2.gz DKIXVPMMJGAICQ-SSDOTTSWSA-N 1 0 297.221 3.901 50 0 CHAARO C[C@H]([NH3+])c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000041059200 567890946 /nfs/dbraw/zinc/89/09/46/567890946.db2.gz IPXBGNZEHFYRHY-LURJTMIESA-N 1 0 256.733 3.622 50 0 CHAARO CC[C@H](C)c1ccc(O[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774616 567891509 /nfs/dbraw/zinc/89/15/09/567891509.db2.gz RLHMZIYAIYDVCU-JQWIXIFHSA-N 1 0 298.224 3.703 50 0 CHAARO Clc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042772303 567891542 /nfs/dbraw/zinc/89/15/42/567891542.db2.gz LSJKZJIHVUYTMZ-SNVBAGLBSA-N 1 0 274.191 3.762 50 0 CHAARO CCc1cc(OCC[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000042771494 567891661 /nfs/dbraw/zinc/89/16/61/567891661.db2.gz BHZDVRDPNPOFAN-CYBMUJFWSA-N 1 0 267.800 3.813 50 0 CHAARO Clc1cccc(OCC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000042772232 567891727 /nfs/dbraw/zinc/89/17/27/567891727.db2.gz AHCDZTSNGBIESR-JTQLQIEISA-N 1 0 274.191 3.762 50 0 CHAARO CC[C@@H](C)c1ccc(O[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774604 567891749 /nfs/dbraw/zinc/89/17/49/567891749.db2.gz RLHMZIYAIYDVCU-ZYHUDNBSSA-N 1 0 298.224 3.703 50 0 CHAARO [NH3+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000042947778 567892034 /nfs/dbraw/zinc/89/20/34/567892034.db2.gz WAVNJCYHNSLOSR-HNNXBMFYSA-N 1 0 261.752 3.557 50 0 CHAARO FC(F)(F)c1ccccc1C[NH2+]Cc1ccccc1 ZINC000057364353 567895113 /nfs/dbraw/zinc/89/51/13/567895113.db2.gz GPRZDEKYRQQDHZ-UHFFFAOYSA-N 1 0 265.278 3.995 50 0 CHAARO c1cc([C@H]2CCC[N@H+]2CCc2ccncc2)cs1 ZINC000058434794 567896097 /nfs/dbraw/zinc/89/60/97/567896097.db2.gz ZFMFLTZFHMQSCM-OAHLLOKOSA-N 1 0 258.390 3.523 50 0 CHAARO CC(C)(C)c1ccc2oc(C[NH2+][C@@H]3CCSC3)nc2c1 ZINC000065371293 567898467 /nfs/dbraw/zinc/89/84/67/567898467.db2.gz PMIHXAIZXMUEBV-GFCCVEGCSA-N 1 0 290.432 3.720 50 0 CHAARO Cc1cnccc1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000065410859 567898966 /nfs/dbraw/zinc/89/89/66/567898966.db2.gz OAHLAKIXZCPXRL-UHFFFAOYSA-N 1 0 266.344 3.768 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000067774369 567900563 /nfs/dbraw/zinc/90/05/63/567900563.db2.gz NLFVOIYUAXCMMZ-LBPRGKRZSA-N 1 0 297.402 3.884 50 0 CHAARO C[NH2+]CCCOc1ccccc1-c1cccc2cnccc21 ZINC000067843013 567900694 /nfs/dbraw/zinc/90/06/94/567900694.db2.gz YJFUWHOXRHFBKH-UHFFFAOYSA-N 1 0 292.382 3.890 50 0 CHAARO CO[C@H](C)c1ccc(-c2ccccc2CC[NH3+])cc1 ZINC000067910322 567901099 /nfs/dbraw/zinc/90/10/99/567901099.db2.gz RFBHFNJUVZVNQM-CYBMUJFWSA-N 1 0 255.361 3.562 50 0 CHAARO CCC[C@](OC(=O)CC)(c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000071772263 567902131 /nfs/dbraw/zinc/90/21/31/567902131.db2.gz VCMZAYBZVOWQJQ-WMZOPIPTSA-N 1 0 289.419 3.587 50 0 CHAARO Cc1cccc([C@H](Cn2ccnc2-c2ccco2)[NH+](C)C)c1 ZINC000072479270 567902851 /nfs/dbraw/zinc/90/28/51/567902851.db2.gz GPTXVQCOTNBIJB-INIZCTEOSA-N 1 0 295.386 3.754 50 0 CHAARO C[NH+](C)Cc1ccccc1Oc1nccc2occc21 ZINC000067605024 567902955 /nfs/dbraw/zinc/90/29/55/567902955.db2.gz VHOGGQHLHKKVLJ-UHFFFAOYSA-N 1 0 268.316 3.682 50 0 CHAARO Cc1csc([C@@H]2CCCN(c3cccc(C)n3)C2)n1 ZINC000097096566 567904258 /nfs/dbraw/zinc/90/42/58/567904258.db2.gz PHOFYLZJHOYOPQ-CYBMUJFWSA-N 1 0 273.405 3.539 50 0 CHAARO C[C@@H](c1ccc(-c2cncc(C(C)(C)O)c2)cc1)[NH+](C)C ZINC000426369822 567907775 /nfs/dbraw/zinc/90/77/75/567907775.db2.gz AHSWTZMMOFBVOM-ZDUSSCGKSA-N 1 0 284.403 3.599 50 0 CHAARO Oc1ccc2c(c1)C[N@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC000072291835 567909233 /nfs/dbraw/zinc/90/92/33/567909233.db2.gz IVXQLEQJYREYDX-LJQANCHMSA-N 1 0 279.383 3.828 50 0 CHAARO C[C@H](c1ccc(-c2ccc(C(N)=O)o2)cc1)[NH+]1CCCCC1 ZINC000096152259 567909894 /nfs/dbraw/zinc/90/98/94/567909894.db2.gz SMXZALGDIFNMHH-CYBMUJFWSA-N 1 0 298.386 3.592 50 0 CHAARO COc1cccc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000096150223 567909939 /nfs/dbraw/zinc/90/99/39/567909939.db2.gz UFOLEBXSTYEDEU-CQSZACIVSA-N 1 0 282.387 3.914 50 0 CHAARO C[N@@H+](Cc1ccc2cc(O)ccc2c1)C[C@H]1CCCCO1 ZINC000097463649 567910509 /nfs/dbraw/zinc/91/05/09/567910509.db2.gz NAXKMAZDUFRXPU-GOSISDBHSA-N 1 0 285.387 3.546 50 0 CHAARO COc1ccc(C[N@H+](C)C2CCSCC2)cc1Cl ZINC000097173163 567910544 /nfs/dbraw/zinc/91/05/44/567910544.db2.gz JSYZUQJHNPHQOS-UHFFFAOYSA-N 1 0 285.840 3.676 50 0 CHAARO CSc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000097636611 567911038 /nfs/dbraw/zinc/91/10/38/567911038.db2.gz HTNNQYHHXSQXKZ-UHFFFAOYSA-N 1 0 291.460 3.801 50 0 CHAARO C[C@@H]1C[N@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000103218656 567915539 /nfs/dbraw/zinc/91/55/39/567915539.db2.gz NVRHPKDNICAHBX-ATZDWAIDSA-N 1 0 281.399 3.587 50 0 CHAARO CC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000014193630 567915670 /nfs/dbraw/zinc/91/56/70/567915670.db2.gz ZPPMCBFMFIKNOV-UHFFFAOYSA-N 1 0 268.198 3.681 50 0 CHAARO CCC(C)(C)OCc1ccccc1NC1CC[NH+](C)CC1 ZINC000408514027 567927683 /nfs/dbraw/zinc/92/76/83/567927683.db2.gz AUHFKAZVWIPWEP-UHFFFAOYSA-N 1 0 290.451 3.898 50 0 CHAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH3+] ZINC000095858020 567931605 /nfs/dbraw/zinc/93/16/05/567931605.db2.gz WDTAJXMIXADUTH-MFXFBURESA-N 1 0 291.479 3.717 50 0 biogenic CHAARO CC[C@@H](C)[NH2+]CCCOc1cccc(Br)c1 ZINC000002825525 567932128 /nfs/dbraw/zinc/93/21/28/567932128.db2.gz KXVDTKBRUMRXIV-LLVKDONJSA-N 1 0 286.213 3.606 50 0 CHAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc3ccccc3c1)[NH2+]CC2 ZINC000004031323 567932561 /nfs/dbraw/zinc/93/25/61/567932561.db2.gz LNMZDLQETPKCDD-OTWHNJEPSA-N 1 0 281.399 3.796 50 0 CHAARO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000000215226 567935617 /nfs/dbraw/zinc/93/56/17/567935617.db2.gz GLWSECUMLMZXNP-IBGZPJMESA-N 1 0 281.399 3.700 50 0 CHAARO Cc1cc(N2CCC(C)CC2)nc(NCc2ccccc2)[nH+]1 ZINC000000524518 567942463 /nfs/dbraw/zinc/94/24/63/567942463.db2.gz ZXDFNGUSZJCZPH-UHFFFAOYSA-N 1 0 296.418 3.633 50 0 CHAARO CSc1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000015066861 567943835 /nfs/dbraw/zinc/94/38/35/567943835.db2.gz KWYSAFRBEQKSAG-OAHLLOKOSA-N 1 0 285.412 3.502 50 0 CHAARO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000062838959 567944241 /nfs/dbraw/zinc/94/42/41/567944241.db2.gz JYCSABBOWQBSAU-CYBMUJFWSA-N 1 0 297.512 3.507 50 0 CHAARO Cc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000019962722 567945045 /nfs/dbraw/zinc/94/50/45/567945045.db2.gz BWQIDBABVNNJGX-INIZCTEOSA-N 1 0 253.345 3.608 50 0 CHAARO CC[N@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCCCO1 ZINC000214973533 567947120 /nfs/dbraw/zinc/94/71/20/567947120.db2.gz RERULZSSIZXLMV-RTRPANQVSA-N 1 0 277.383 3.730 50 0 CHAARO CCc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)nc1 ZINC000216435706 567947665 /nfs/dbraw/zinc/94/76/65/567947665.db2.gz NAEWZTQYELOOSV-INIZCTEOSA-N 1 0 284.378 3.773 50 0 CHAARO COc1cccc(CNc2[nH+]cc(-c3ccccc3)n2C)c1 ZINC000000819062 567948291 /nfs/dbraw/zinc/94/82/91/567948291.db2.gz BARPEIVVCNYBIT-UHFFFAOYSA-N 1 0 293.370 3.708 50 0 CHAARO C[N@@H+](Cc1ccccc1Cl)C[C@@H](O)c1ccccc1 ZINC000023280275 567948553 /nfs/dbraw/zinc/94/85/53/567948553.db2.gz VEUVRHMVUVVBFC-MRXNPFEDSA-N 1 0 275.779 3.505 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H](C)CCO)o1 ZINC000225421831 567953452 /nfs/dbraw/zinc/95/34/52/567953452.db2.gz LCIBTFWQKWYDTG-GFCCVEGCSA-N 1 0 291.366 3.502 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](CO)C(C)C)o1 ZINC000225456245 567953610 /nfs/dbraw/zinc/95/36/10/567953610.db2.gz WMCCEVSRYIELNC-MRXNPFEDSA-N 1 0 291.366 3.501 50 0 CHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH3+] ZINC000011568417 570219694 /nfs/dbraw/zinc/21/96/94/570219694.db2.gz YGYIXXSODUCIOB-SSDOTTSWSA-N 1 0 252.770 3.792 50 0 CHAARO CCCC[C@@](C)([NH3+])c1cccc(Br)c1 ZINC000053756913 570239465 /nfs/dbraw/zinc/23/94/65/570239465.db2.gz GANQTPZONDWWAN-GFCCVEGCSA-N 1 0 256.187 3.813 50 0 CHAARO CCn1cc(C[N@H+](C/C=C/c2ccco2)CC(C)C)cn1 ZINC000055036789 570240504 /nfs/dbraw/zinc/24/05/04/570240504.db2.gz HEFJYZSMKDMWMJ-FNORWQNLSA-N 1 0 287.407 3.667 50 0 CHAARO CC[C@@H](C)[N@H+](Cc1cnc(C)[nH]1)Cc1ccc(C)cc1 ZINC000055099134 570240511 /nfs/dbraw/zinc/24/05/11/570240511.db2.gz MOPYQLMODYTHTA-CQSZACIVSA-N 1 0 271.408 3.827 50 0 CHAARO Cc1ccccc1-n1cc(C2=CC[N@H+](CCCF)CC2)cn1 ZINC000065530834 570244318 /nfs/dbraw/zinc/24/43/18/570244318.db2.gz CWUWOBGAXRFWPY-UHFFFAOYSA-N 1 0 299.393 3.629 50 0 CHAARO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)o1 ZINC000065531458 570244535 /nfs/dbraw/zinc/24/45/35/570244535.db2.gz XJIDCIHUKYPMFV-OAHLLOKOSA-N 1 0 274.364 3.784 50 0 CHAARO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000070657885 570248797 /nfs/dbraw/zinc/24/87/97/570248797.db2.gz QRMYKNDQERPTPB-BDAKNGLRSA-N 1 0 292.242 3.586 50 0 CHAARO Cc1cc2nc(C[n+]3ccc4ccccc4c3)[nH]c2cc1C ZINC000000386956 570266523 /nfs/dbraw/zinc/26/65/23/570266523.db2.gz GDRXAIXYURGSQU-UHFFFAOYSA-N 1 0 288.374 3.669 50 0 CHAARO C[C@H](NC(=O)C1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000018048115 570282617 /nfs/dbraw/zinc/28/26/17/570282617.db2.gz VZHXCKFCTUSSNF-AWEZNQCLSA-N 1 0 297.402 3.630 50 0 CHAARO c1nc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)cs1 ZINC000215152503 570302377 /nfs/dbraw/zinc/30/23/77/570302377.db2.gz PNFLAYFBGYWSDM-ZDUSSCGKSA-N 1 0 250.411 3.545 50 0 CHAARO COC[C@H]1CC[N@H+](Cc2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000215423791 570302742 /nfs/dbraw/zinc/30/27/42/570302742.db2.gz INGUVOILEFOGRI-LBPRGKRZSA-N 1 0 292.810 3.598 50 0 CHAARO COCC[C@H]1CCC[N@H+](Cc2[nH]c3ccccc3c2C)C1 ZINC000215454677 570303320 /nfs/dbraw/zinc/30/33/20/570303320.db2.gz XWQZEVAHIAWRPI-OAHLLOKOSA-N 1 0 286.419 3.725 50 0 CHAARO C[N@H+](Cc1ccc([C@H]2CCCO2)s1)C1CCSCC1 ZINC000215847024 570304088 /nfs/dbraw/zinc/30/40/88/570304088.db2.gz STQCKRVYCAXNHJ-CQSZACIVSA-N 1 0 297.489 3.927 50 0 CHAARO C[N@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCOC(C)(C)C1 ZINC000215817054 570304232 /nfs/dbraw/zinc/30/42/32/570304232.db2.gz PRNBXJNZIICLAH-CYBMUJFWSA-N 1 0 285.790 3.869 50 0 CHAARO c1ccc(CN2CCC([NH+]3CCCCCCC3)CC2)cc1 ZINC000000757082 570307944 /nfs/dbraw/zinc/30/79/44/570307944.db2.gz PWLSZLLZESRRPD-UHFFFAOYSA-N 1 0 286.463 3.917 50 0 CHAARO CC[C@H](c1ccccn1)N(C)Cc1nc2cc(C)ccc2[nH]1 ZINC000244718792 570320797 /nfs/dbraw/zinc/32/07/97/570320797.db2.gz LQWPIMMLAYZDGJ-QGZVFWFLSA-N 1 0 294.402 3.849 50 0 CHAARO Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000012547209 570327777 /nfs/dbraw/zinc/32/77/77/570327777.db2.gz GDUXMQXBXYNGLS-UHFFFAOYSA-N 1 0 283.400 3.736 50 0 CHAARO Cc1ncc([C@H](C)[NH2+]CC(C)(C)CC2CCOCC2)s1 ZINC000090419562 570352564 /nfs/dbraw/zinc/35/25/64/570352564.db2.gz RTWSSSQPGQDVQC-LBPRGKRZSA-N 1 0 296.480 3.945 50 0 CHAARO COc1cccc(-c2oncc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000065288912 570361933 /nfs/dbraw/zinc/36/19/33/570361933.db2.gz PAOVLOBRBATQGV-ZDUSSCGKSA-N 1 0 286.375 3.582 50 0 CHAARO c1cc2c(cc1[C@H]1CCC[N@H+]1CC1CCCC1)OCCO2 ZINC000170621955 570363553 /nfs/dbraw/zinc/36/35/53/570363553.db2.gz BQNJAMOUAUKGJO-MRXNPFEDSA-N 1 0 287.403 3.785 50 0 CHAARO Cc1cnc([C@H]([NH2+][C@H](C)CC2CC2)C2CC2)s1 ZINC000089702394 570368139 /nfs/dbraw/zinc/36/81/39/570368139.db2.gz ZIJNHJWXOBVNAI-NOZJJQNGSA-N 1 0 250.411 3.681 50 0 CHAARO Cn1cccc1C[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000089917935 570370976 /nfs/dbraw/zinc/37/09/76/570370976.db2.gz NJEFZUUWYOFUQN-OAHLLOKOSA-N 1 0 288.366 3.556 50 0 CHAARO c1ccc(C(Nc2ccccn2)Nc2ccccn2)cc1 ZINC000002173422 570375225 /nfs/dbraw/zinc/37/52/25/570375225.db2.gz LNDQTONLUKOBNJ-UHFFFAOYSA-N 1 0 276.343 3.699 50 0 CHAARO C[N@H+](CCNc1nc2ccccc2o1)Cc1ccc(F)cc1 ZINC000170652390 570375724 /nfs/dbraw/zinc/37/57/24/570375724.db2.gz WJCHCPAJEVXYEK-UHFFFAOYSA-N 1 0 299.349 3.511 50 0 CHAARO CCn1c2ccccc2[n+](CC)c1[C@H](F)C(F)(F)F ZINC000001496630 570378643 /nfs/dbraw/zinc/37/86/43/570378643.db2.gz ZQYJRWVKDAIIFW-NSHDSACASA-N 1 0 275.269 3.542 50 0 CHAARO C[C@@H]([NH2+]CCc1c(Cl)cccc1Cl)c1cc[nH]n1 ZINC000253415944 570385293 /nfs/dbraw/zinc/38/52/93/570385293.db2.gz OBWSIRBKSYTXCR-SECBINFHSA-N 1 0 284.190 3.610 50 0 CHAARO Cc1c([C@H]2CCCN2c2cc[nH+]c3ccccc32)cnn1C ZINC000253417187 570385429 /nfs/dbraw/zinc/38/54/29/570385429.db2.gz KFIDZHBWVOAKNT-QGZVFWFLSA-N 1 0 292.386 3.618 50 0 CHAARO Cc1nnc([C@H](C)[NH2+]CC2(c3cccc(C)c3)CCCC2)o1 ZINC000079030499 570396222 /nfs/dbraw/zinc/39/62/22/570396222.db2.gz UFXXTHJHRBZDFP-AWEZNQCLSA-N 1 0 299.418 3.849 50 0 CHAARO c1ccc2oc(C3CC[NH+]([C@H]4CCSC4)CC3)nc2c1 ZINC000670450782 570400137 /nfs/dbraw/zinc/40/01/37/570400137.db2.gz GMUDPXKOIGYLDD-ZDUSSCGKSA-N 1 0 288.416 3.513 50 0 CHAARO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069737534 570402200 /nfs/dbraw/zinc/40/22/00/570402200.db2.gz HULAMQHRSAXYQB-WBVHZDCISA-N 1 0 294.398 3.503 50 0 CHAARO Cc1cnc(CC[NH2+]Cc2cc(C)c(C)cc2C)s1 ZINC000076897207 570404988 /nfs/dbraw/zinc/40/49/88/570404988.db2.gz LQIHRCOJSDTGMS-UHFFFAOYSA-N 1 0 274.433 3.709 50 0 CHAARO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(C)CC3)o2)c1 ZINC000039987699 570412186 /nfs/dbraw/zinc/41/21/86/570412186.db2.gz HGLVJVJHPAZRNZ-AWEZNQCLSA-N 1 0 285.391 3.838 50 0 CHAARO CC1CCC([C@H]([NH3+])C2(O)CCCCCCC2)CC1 ZINC000958528516 614424383 /nfs/dbraw/zinc/42/43/83/614424383.db2.gz PLXDMCULDUSWFA-NRXISQOPSA-N 1 0 253.430 3.615 50 0 CHAARO CC[C@H]1C=CCN1Cc1c(Cl)ccc([O-])c1Cl ZINC000952964289 615877307 /nfs/dbraw/zinc/87/73/07/615877307.db2.gz MOHKSLFDJCIEMQ-VIFPVBQESA-N 1 0 272.175 3.849 50 0 CHAARO CC[C@H]1C=CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000952966565 615877383 /nfs/dbraw/zinc/87/73/83/615877383.db2.gz VMUKYBTYCACJTE-SFHVURJKSA-N 1 0 294.398 3.811 50 0 CHAARO C[C@@H](c1ccc(-c2nc3ccccc3[nH]2)cc1)[NH+](C)C ZINC000055326727 1125659005 /nfs/dbraw/zinc/65/90/05/1125659005.db2.gz CVNNZTGCDQHKLC-LBPRGKRZSA-N 1 0 265.360 3.853 50 0 CHAARO Cc1ccoc1C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000885939074 1126898762 /nfs/dbraw/zinc/89/87/62/1126898762.db2.gz QMIIIDYZQUSZRD-UHFFFAOYSA-N 1 0 298.386 3.826 50 0 CHAARO CCN(CC[NH+](CC)CC)Cc1c(F)cccc1Cl ZINC000022027671 1118174420 /nfs/dbraw/zinc/17/44/20/1118174420.db2.gz WGOLVRXBSIKEMW-UHFFFAOYSA-N 1 0 286.822 3.643 50 0 CHAARO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000078947879 1118335894 /nfs/dbraw/zinc/33/58/94/1118335894.db2.gz SPHOTXIWNLCTLH-QWHCGFSZSA-N 1 0 270.467 3.558 50 0 CHAARO Cc1cccc(Cl)c1OCCC[NH+]1CCCCC1 ZINC000002904080 1119158029 /nfs/dbraw/zinc/15/80/29/1119158029.db2.gz KJOTZSJTKKVPKZ-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO CN1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000002498478 1119989625 /nfs/dbraw/zinc/98/96/25/1119989625.db2.gz FCEJCDHSTATKHQ-UHFFFAOYSA-N 1 0 294.442 3.502 50 0 CHAARO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c2ccccc2n1 ZINC000284825718 1120200393 /nfs/dbraw/zinc/20/03/93/1120200393.db2.gz QBYDOBIAFNJPSB-OALUTQOASA-N 1 0 296.414 3.687 50 0 CHAARO Cc1cnc(C2CC2)n1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000257192845 1120313853 /nfs/dbraw/zinc/31/38/53/1120313853.db2.gz RAJVFGUILJPJQV-SFHVURJKSA-N 1 0 295.430 3.906 50 0 CHAARO CCCc1nc(C[NH2+][C@@H](CCO)C2CCCCC2)cs1 ZINC000183704707 1120345425 /nfs/dbraw/zinc/34/54/25/1120345425.db2.gz PKCBVFPZTRYYDO-HNNXBMFYSA-N 1 0 296.480 3.517 50 0 CHAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC=CCC1 ZINC000027141037 1120709156 /nfs/dbraw/zinc/70/91/56/1120709156.db2.gz KQVYKRADTRNOSW-QGZVFWFLSA-N 1 0 298.430 3.967 50 0 CHAARO C[NH+](C)Cc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000045030518 1120743605 /nfs/dbraw/zinc/74/36/05/1120743605.db2.gz SLIODZDLYSFPPO-UHFFFAOYSA-N 1 0 287.338 3.531 50 0 CHAARO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000047960144 1120799239 /nfs/dbraw/zinc/79/92/39/1120799239.db2.gz YOANJQWWHUWASB-ZDUSSCGKSA-N 1 0 258.365 3.793 50 0 CHAARO COc1cccc([C@H]2c3ccccc3C[NH2+]C2(C)C)c1 ZINC000039257948 1121120637 /nfs/dbraw/zinc/12/06/37/1121120637.db2.gz KFGOAPJYWKXBHI-KRWDZBQOSA-N 1 0 267.372 3.709 50 0 CHAARO Cc1ccccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000069925400 1121256401 /nfs/dbraw/zinc/25/64/01/1121256401.db2.gz ZFDHRXXAOFOPOH-UHFFFAOYSA-N 1 0 299.389 3.930 50 0 CHAARO Fc1cccc(NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000000766481 1121308564 /nfs/dbraw/zinc/30/85/64/1121308564.db2.gz NDGQTNDWAZPEQV-UHFFFAOYSA-N 1 0 298.405 3.945 50 0 CHAARO Cc1nc(CC[N@@H+]2CCCC[C@@H]2c2ccccn2)cs1 ZINC000244594262 1121469440 /nfs/dbraw/zinc/46/94/40/1121469440.db2.gz DJKYABVHSLNYFF-MRXNPFEDSA-N 1 0 287.432 3.616 50 0 CHAARO CO[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000509125891 1121590825 /nfs/dbraw/zinc/59/08/25/1121590825.db2.gz SKIWLYLHXITVHW-INIZCTEOSA-N 1 0 285.387 3.866 50 0 CHAARO CCSC[C@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000823421486 1122003083 /nfs/dbraw/zinc/00/30/83/1122003083.db2.gz YMNVJMORGBMYNK-LBPRGKRZSA-N 1 0 276.405 3.573 50 0 CHAARO CC1(C)C[N@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC000426503995 1122809094 /nfs/dbraw/zinc/80/90/94/1122809094.db2.gz MGNKFWJXHFHFQA-HNNXBMFYSA-N 1 0 272.417 3.769 50 0 CHAARO CCc1ccc(-c2nc3cc(C)ccn3c2C[NH+](C)C)cc1 ZINC000031933037 1122882190 /nfs/dbraw/zinc/88/21/90/1122882190.db2.gz FRXQWNRHRVSEDJ-UHFFFAOYSA-N 1 0 293.414 3.934 50 0 CHAARO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cccn1C ZINC000585084700 1131275574 /nfs/dbraw/zinc/27/55/74/1131275574.db2.gz VKNGCMNYLIMRHY-QGZVFWFLSA-N 1 0 272.392 3.617 50 0 CHAARO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cccn1C ZINC000585084699 1131276103 /nfs/dbraw/zinc/27/61/03/1131276103.db2.gz VKNGCMNYLIMRHY-KRWDZBQOSA-N 1 0 272.392 3.617 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052455699 1129651264 /nfs/dbraw/zinc/65/12/64/1129651264.db2.gz AOMZDZGAYNLUBI-INIZCTEOSA-N 1 0 274.339 3.768 50 0 CHAARO CCOC(=O)CCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000254734640 1129706567 /nfs/dbraw/zinc/70/65/67/1129706567.db2.gz SMNGSEFKXHXZFE-QOHRORDFSA-N 1 0 287.403 3.508 50 0 CHAARO C[C@@H](CC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000683708907 1129839124 /nfs/dbraw/zinc/83/91/24/1129839124.db2.gz ZLSKSKXOGPTLCD-ZDUSSCGKSA-N 1 0 295.386 3.552 50 0 CHAARO CCc1ccc(C[N@@H+](CC)Cc2cccnc2)cc1 ZINC000055131952 1130266249 /nfs/dbraw/zinc/26/62/49/1130266249.db2.gz YKJKVUONZRTOSC-UHFFFAOYSA-N 1 0 254.377 3.666 50 0 CHAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccsc1 ZINC000041971051 1131653377 /nfs/dbraw/zinc/65/33/77/1131653377.db2.gz MEQWYOFDCDSBBY-UHFFFAOYSA-N 1 0 286.400 3.596 50 0 CHAARO CCCc1ccc(CNCC2([NH+](C)C)CCCCC2)o1 ZINC000952869629 1132014815 /nfs/dbraw/zinc/01/48/15/1132014815.db2.gz KRGZWNMQPRSBCB-UHFFFAOYSA-N 1 0 278.440 3.586 50 0 CHAARO CC1(C[NH2+][C@@H](c2ccco2)c2ccccc2)CCOCC1 ZINC000230396160 1132490940 /nfs/dbraw/zinc/49/09/40/1132490940.db2.gz IXCLNJZQFPRADU-QGZVFWFLSA-N 1 0 285.387 3.775 50 0 CHAARO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000096478585 230379923 /nfs/dbraw/zinc/37/99/23/230379923.db2.gz DOJVUYFSPSVFFG-OLZOCXBDSA-N 1 0 295.471 3.801 50 0 CHAARO C[C@H](c1ccc(-c2ncc(Cl)cn2)cc1)[NH+]1CCCC1 ZINC000426491560 230420484 /nfs/dbraw/zinc/42/04/84/230420484.db2.gz QXLXMGJYKZTYIX-GFCCVEGCSA-N 1 0 287.794 3.954 50 0 CHAARO Cc1cccc(OC2CC[NH+]([C@@H](C)CC(C)C)CC2)n1 ZINC000095940897 185035729 /nfs/dbraw/zinc/03/57/29/185035729.db2.gz SDLUAMAXPNDGFB-HNNXBMFYSA-N 1 0 276.424 3.668 50 0 CHAARO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1cnn(C)c1)C1CC1 ZINC000095967939 185046344 /nfs/dbraw/zinc/04/63/44/185046344.db2.gz BMLPANRPPYCKIC-SUMWQHHRSA-N 1 0 269.392 3.530 50 0 CHAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000095968236 185046978 /nfs/dbraw/zinc/04/69/78/185046978.db2.gz CDCZCTDCRYKYMP-DYZYQPBXSA-N 1 0 288.366 3.639 50 0 CHAARO COc1ccccc1[C@H](CC(C)C)[NH2+]C1CCOCC1 ZINC000095968813 185047461 /nfs/dbraw/zinc/04/74/61/185047461.db2.gz JGWAKCAPKNBOAA-INIZCTEOSA-N 1 0 277.408 3.551 50 0 CHAARO COc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1F ZINC000095982767 185053974 /nfs/dbraw/zinc/05/39/74/185053974.db2.gz RQDYLHMWWDOEIA-LBPRGKRZSA-N 1 0 251.345 3.503 50 0 CHAARO C[C@H](Cc1ccnn1C)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000096009202 185064059 /nfs/dbraw/zinc/06/40/59/185064059.db2.gz KILBBCUGZDELIF-CRAIPNDOSA-N 1 0 289.467 3.643 50 0 CHAARO C[C@@H](c1cccc(-c2n[nH]c(C3CCC3)n2)c1)[NH+]1CCCC1 ZINC000096133021 185104389 /nfs/dbraw/zinc/10/43/89/185104389.db2.gz JCKVSORLDKAFMO-ZDUSSCGKSA-N 1 0 296.418 3.896 50 0 CHAARO Clc1cccc(Cl)c1SC[C@@H]1CCC[NH2+]1 ZINC000083308933 178380175 /nfs/dbraw/zinc/38/01/75/178380175.db2.gz LXDXYSHOVORJLN-QMMMGPOBSA-N 1 0 262.205 3.838 50 0 CHAARO C[NH2+]CCCCOc1ccc(Cc2ccccc2)cc1 ZINC000002845366 529962471 /nfs/dbraw/zinc/96/24/71/529962471.db2.gz LGWNZFGFJIENQB-UHFFFAOYSA-N 1 0 269.388 3.656 50 0 CHAARO C[NH2+]C[C@H](CCCOc1ccccc1)c1ccccc1 ZINC000088097396 179546922 /nfs/dbraw/zinc/54/69/22/179546922.db2.gz VLJKISGYZDJDKG-KRWDZBQOSA-N 1 0 269.388 3.849 50 0 CHAARO C[N@H+](Cc1ccccc1-c1ccco1)[C@@H]1CCCC[C@@H]1O ZINC000215843192 189697554 /nfs/dbraw/zinc/69/75/54/189697554.db2.gz HHKCBRQBAMHFFX-SJORKVTESA-N 1 0 285.387 3.682 50 0 CHAARO C[NH+](C)Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC000000057233 169520792 /nfs/dbraw/zinc/52/07/92/169520792.db2.gz SUZMCIRGERDWMV-UHFFFAOYSA-N 1 0 280.371 3.809 50 0 in-vitro CHAARO Cn1c2ccccc2[n+](C)c1-c1ccc(Cl)cc1Cl ZINC000000279156 169595469 /nfs/dbraw/zinc/59/54/69/169595469.db2.gz JYOXFBSLLIPFKL-UHFFFAOYSA-N 1 0 292.189 3.977 50 0 CHAARO COc1cc(OC)c(OC)cc1C[NH2+]C1CCCCCC1 ZINC000000285240 169597422 /nfs/dbraw/zinc/59/74/22/169597422.db2.gz XMPQULBLBNXUGO-UHFFFAOYSA-N 1 0 293.407 3.525 50 0 CHAARO Cc1nc(C)c2cc3c(n[n+]2c1C)-c1cccc2cccc-3c12 ZINC000000386967 169626411 /nfs/dbraw/zinc/62/64/11/169626411.db2.gz XWKPNESLIZYELT-UHFFFAOYSA-N 1 0 298.369 3.941 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000000452830 169644520 /nfs/dbraw/zinc/64/45/20/169644520.db2.gz ZNGZMOAFFPQHLK-CHWSQXEVSA-N 1 0 294.826 3.647 50 0 CHAARO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000096478579 532967154 /nfs/dbraw/zinc/96/71/54/532967154.db2.gz DOJVUYFSPSVFFG-QWHCGFSZSA-N 1 0 295.471 3.801 50 0 CHAARO Cc1nc(CC[C@@H](C)[NH+]2CCCC2)n(C2CCCCC2)n1 ZINC000096161984 256779364 /nfs/dbraw/zinc/77/93/64/256779364.db2.gz FMGKFSIWIYJLOY-CQSZACIVSA-N 1 0 290.455 3.509 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCOC1 ZINC000096500131 533448391 /nfs/dbraw/zinc/44/83/91/533448391.db2.gz UJIQJUPLJAYXKB-ZIAGYGMSSA-N 1 0 287.359 3.587 50 0 CHAARO CC[C@H](C)[NH2+]CCCOc1ccccc1OC(C)C ZINC000002821818 169834211 /nfs/dbraw/zinc/83/42/11/169834211.db2.gz SWTVYLBHHVFUBF-AWEZNQCLSA-N 1 0 265.397 3.631 50 0 CHAARO CC[NH+](CC)CCCCSc1ccc(O)cc1 ZINC000002880445 169840648 /nfs/dbraw/zinc/84/06/48/169840648.db2.gz MOBBQSSLXNBETK-UHFFFAOYSA-N 1 0 253.411 3.606 50 0 CHAARO CCCC[C@@H](/C=C/CC(OC)OC)[NH+]1CCCCC1 ZINC000003070175 169852017 /nfs/dbraw/zinc/85/20/17/169852017.db2.gz FWJQLJUOADUGMN-GDXASINISA-N 1 0 269.429 3.596 50 0 CHAARO Cc1sc(C[NH3+])nc1-c1ccc(Cl)cc1Cl ZINC000003709652 169908854 /nfs/dbraw/zinc/90/88/54/169908854.db2.gz GPVFNRKUGLTNOC-UHFFFAOYSA-N 1 0 273.188 3.884 50 0 CHAARO Clc1ccc(OCC[NH+]2CCCCC2)c(Cl)c1 ZINC000004472852 169969463 /nfs/dbraw/zinc/96/94/63/169969463.db2.gz VITOPYUWSHTJCP-UHFFFAOYSA-N 1 0 274.191 3.858 50 0 CHAARO CCCCOc1ccc(CSC(N)=[NH2+])cc1Cl ZINC000004713685 170003846 /nfs/dbraw/zinc/00/38/46/170003846.db2.gz IONZMLSFEITLRK-UHFFFAOYSA-N 1 0 272.801 3.646 50 0 in-vitro CHAARO Cc1c(C(=O)C[N@H+]2CCCC[C@H]2C)c2ccccc2n1C ZINC000004806889 170020032 /nfs/dbraw/zinc/02/00/32/170020032.db2.gz HLLZBTVILLVLKH-CYBMUJFWSA-N 1 0 284.403 3.544 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000004834843 170026568 /nfs/dbraw/zinc/02/65/68/170026568.db2.gz GNDSFIXNXWKBFP-UHFFFAOYSA-N 1 0 284.403 3.781 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004871747 170034885 /nfs/dbraw/zinc/03/48/85/170034885.db2.gz UEQWWPMREGCWDQ-CHWSQXEVSA-N 1 0 284.403 3.637 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccc(C)cc2C)c(OC)c1 ZINC000004891847 170036785 /nfs/dbraw/zinc/03/67/85/170036785.db2.gz HPQSDQZUVNHZAH-UHFFFAOYSA-N 1 0 285.387 3.610 50 0 CHAARO O[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000004985766 170048928 /nfs/dbraw/zinc/04/89/28/170048928.db2.gz BVMWOQVHTUDLJW-LBPRGKRZSA-N 1 0 291.778 3.557 50 0 CHAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(F)cc1 ZINC000004989453 170049795 /nfs/dbraw/zinc/04/97/95/170049795.db2.gz YOLGKMBQIMACLW-ZDUSSCGKSA-N 1 0 273.351 3.642 50 0 CHAARO C[NH2+]C[C@H](C)CN1c2ccccc2CCc2ccccc21 ZINC000005141535 170070381 /nfs/dbraw/zinc/07/03/81/170070381.db2.gz FUEUKSCRQNPXKS-HNNXBMFYSA-N 1 0 280.415 3.779 50 0 in-vitro CHAARO C[NH2+]Cc1ccccc1Sc1cccc(OC)c1 ZINC000005353661 170089119 /nfs/dbraw/zinc/08/91/19/170089119.db2.gz OIWKOIAIXYFZHR-UHFFFAOYSA-N 1 0 259.374 3.566 50 0 CHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2)cc1 ZINC000006565384 170213663 /nfs/dbraw/zinc/21/36/63/170213663.db2.gz YCDGSQZJXKAGRF-UHFFFAOYSA-N 1 0 277.371 3.675 50 0 CHAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000006699691 170228702 /nfs/dbraw/zinc/22/87/02/170228702.db2.gz JVWMMVUYCONOFI-AWEZNQCLSA-N 1 0 282.387 3.653 50 0 CHAARO C[C@H](NC(CC(F)(F)F)=[NH+]c1cccnc1)C(C)(C)C ZINC000006713940 170231416 /nfs/dbraw/zinc/23/14/16/170231416.db2.gz ZAKRVLZORBUQLP-UVIKPUKZSA-N 1 0 287.329 3.921 50 0 CHAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000006882320 170252205 /nfs/dbraw/zinc/25/22/05/170252205.db2.gz JLIFWPGIJMURQD-LBPRGKRZSA-N 1 0 280.799 3.543 50 0 CHAARO CCCC[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007261714 170274026 /nfs/dbraw/zinc/27/40/26/170274026.db2.gz ZPHNQYIUKSAZLO-CYBMUJFWSA-N 1 0 273.376 3.890 50 0 CHAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386116 170282155 /nfs/dbraw/zinc/28/21/55/170282155.db2.gz SGGPQDFATTWKIN-XQQFMLRXSA-N 1 0 294.826 3.645 50 0 CHAARO Cc1cccc(C)c1NC(=O)C[N@H+](C)CC1CCCCC1 ZINC000007682827 170297001 /nfs/dbraw/zinc/29/70/01/170297001.db2.gz YWQVJPSSSXXXRQ-UHFFFAOYSA-N 1 0 288.435 3.754 50 0 CHAARO Cc1ccc2[nH]c(-c3ccccc3)c(C[NH+](C)C)c(=O)c2c1 ZINC000008578510 170341485 /nfs/dbraw/zinc/34/14/85/170341485.db2.gz FLLVYBGQWIZTMD-UHFFFAOYSA-N 1 0 292.382 3.977 50 0 CHAARO Cc1cc(Cl)cc2c(=O)c(C[NH+]3CCCC3)c(C)[nH]c12 ZINC000008717233 170349368 /nfs/dbraw/zinc/34/93/68/170349368.db2.gz MMHREYPVJLXPPW-UHFFFAOYSA-N 1 0 290.794 3.806 50 0 CHAARO C[NH2+]Cc1ccc(-c2sccc2Br)cc1 ZINC000012370824 170480609 /nfs/dbraw/zinc/48/06/09/170480609.db2.gz JAQWWPQIUYWZIC-UHFFFAOYSA-N 1 0 282.206 3.897 50 0 CHAARO Cc1cc2oc(=O)cc(C[N@@H+](C)C3CCCC3)c2cc1C ZINC000014197035 170624253 /nfs/dbraw/zinc/62/42/53/170624253.db2.gz DEIUILSEKKJXHU-UHFFFAOYSA-N 1 0 285.387 3.784 50 0 CHAARO CCCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019906961 170919288 /nfs/dbraw/zinc/91/92/88/170919288.db2.gz ZVPDAJUXNRWLGV-JTQLQIEISA-N 1 0 256.187 3.900 50 0 CHAARO CC(C)=CCC[C@H](C)C[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000020130679 171019432 /nfs/dbraw/zinc/01/94/32/171019432.db2.gz BABQJPAGASLVKB-KSZLIROESA-N 1 0 295.467 3.986 50 0 CHAARO CCOc1ccc(C[NH2+]Cc2cccc(C)c2)cc1 ZINC000020133862 171021659 /nfs/dbraw/zinc/02/16/59/171021659.db2.gz GXIKMDDFXUNRNQ-UHFFFAOYSA-N 1 0 255.361 3.684 50 0 CHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000020187462 171051969 /nfs/dbraw/zinc/05/19/69/171051969.db2.gz ZNMAVIHRFRMFHL-LBPRGKRZSA-N 1 0 286.350 3.635 50 0 CHAARO CC(C)[C@@H](C)[NH2+]Cc1cc(Br)ccc1F ZINC000020305434 171141480 /nfs/dbraw/zinc/14/14/80/171141480.db2.gz KENRIABLUJZXKH-SECBINFHSA-N 1 0 274.177 3.722 50 0 CHAARO C[C@H]([NH2+]Cc1cc(Br)cs1)c1cccnc1 ZINC000020306505 171142930 /nfs/dbraw/zinc/14/29/30/171142930.db2.gz WCVZTBNTZQXBMG-VIFPVBQESA-N 1 0 297.221 3.756 50 0 CHAARO CC(C)[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC000020547905 171245403 /nfs/dbraw/zinc/24/54/03/171245403.db2.gz IWSCGDKRPZIJCK-AWEZNQCLSA-N 1 0 289.250 3.669 50 0 CHAARO CCc1noc([C@H](C)[NH2+][C@@H](C)Cc2ccc(Cl)cc2)n1 ZINC000020598756 171266456 /nfs/dbraw/zinc/26/64/56/171266456.db2.gz DFIUWZSFFNEWFE-QWRGUYRKSA-N 1 0 293.798 3.567 50 0 CHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000021720646 171320544 /nfs/dbraw/zinc/32/05/44/171320544.db2.gz IGQPYTVZFWTEFK-INIZCTEOSA-N 1 0 270.376 3.937 50 0 CHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2C)no1 ZINC000021719790 171320772 /nfs/dbraw/zinc/32/07/72/171320772.db2.gz GJURMXFFCKGFOG-QGZVFWFLSA-N 1 0 270.376 3.937 50 0 CHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCCC1 ZINC000035161812 172021254 /nfs/dbraw/zinc/02/12/54/172021254.db2.gz WGJUMEIZGYYDPY-UHFFFAOYSA-N 1 0 269.392 3.521 50 0 CHAARO C[C@H](Cc1ccco1)[NH2+]Cc1cccc2cccnc21 ZINC000035254569 172083937 /nfs/dbraw/zinc/08/39/37/172083937.db2.gz XHUKWXHNXCKBQS-CYBMUJFWSA-N 1 0 266.344 3.549 50 0 CHAARO C[C@H](Cc1ccco1)[NH2+]Cc1cc2ccccc2o1 ZINC000035254711 172084107 /nfs/dbraw/zinc/08/41/07/172084107.db2.gz VFWJSVVAJLCPIL-GFCCVEGCSA-N 1 0 255.317 3.747 50 0 CHAARO c1cn(CCC[NH2+]Cc2ccc(-c3ccccc3)cc2)cn1 ZINC000035268954 172091815 /nfs/dbraw/zinc/09/18/15/172091815.db2.gz YDFVCRRQJKAMOI-UHFFFAOYSA-N 1 0 291.398 3.730 50 0 CHAARO C[NH2+]Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000037237800 173055375 /nfs/dbraw/zinc/05/53/75/173055375.db2.gz TZKZUVMYVKQZFO-UHFFFAOYSA-N 1 0 265.715 3.991 50 0 CHAARO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(F)c(F)c1 ZINC000037277482 173087929 /nfs/dbraw/zinc/08/79/29/173087929.db2.gz HGQKHRNDBWIRQR-LLVKDONJSA-N 1 0 293.361 3.767 50 0 CHAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001600 173964389 /nfs/dbraw/zinc/96/43/89/173964389.db2.gz YSUVURQIWGMWJH-YUMQZZPRSA-N 1 0 262.216 3.960 50 0 CHAARO COc1cc(C[NH2+]C2CC2)c(-c2ccccc2)cc1OC ZINC000038070614 174081691 /nfs/dbraw/zinc/08/16/91/174081691.db2.gz YAMBDNADUBGNNG-UHFFFAOYSA-N 1 0 283.371 3.623 50 0 CHAARO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1Cl ZINC000038095407 174108520 /nfs/dbraw/zinc/10/85/20/174108520.db2.gz SDMYIDDJBLPLIS-VXGBXAGGSA-N 1 0 253.773 3.560 50 0 CHAARO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](C)C3)o2)c1 ZINC000039987671 174181464 /nfs/dbraw/zinc/18/14/64/174181464.db2.gz CRUFHUTXHPBMPW-KBPBESRZSA-N 1 0 285.391 3.838 50 0 CHAARO Brc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC000040448511 174265574 /nfs/dbraw/zinc/26/55/74/174265574.db2.gz OTKDIZOYQXFTDK-UHFFFAOYSA-N 1 0 293.208 3.569 50 0 CHAARO Cc1ccc(C(C)C)cc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772560 174871899 /nfs/dbraw/zinc/87/18/99/174871899.db2.gz XRQOYFSNOKXGPM-OAHLLOKOSA-N 1 0 261.409 3.887 50 0 CHAARO Brc1ccc(SC[C@@H]2CCC[NH2+]C2)cc1 ZINC000043471727 175053832 /nfs/dbraw/zinc/05/38/32/175053832.db2.gz HZGSEUWGGYYBER-SNVBAGLBSA-N 1 0 286.238 3.541 50 0 CHAARO c1sc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1-c1ccccc1 ZINC000044687558 175232900 /nfs/dbraw/zinc/23/29/00/175232900.db2.gz PRAVSULXWQNCRH-INIZCTEOSA-N 1 0 298.455 3.741 50 0 CHAARO CC1(C)C[C@@]1(C[NH2+]C1CCSCC1)c1ccccc1 ZINC000065406730 175731452 /nfs/dbraw/zinc/73/14/52/175731452.db2.gz PDUBCCUTMKJVRT-QGZVFWFLSA-N 1 0 275.461 3.840 50 0 CHAARO CC(C)C[C@H]([NH2+]C1CSCCSC1)c1cccnc1 ZINC000067955851 175803960 /nfs/dbraw/zinc/80/39/60/175803960.db2.gz BERAAPHPPWCDNF-HNNXBMFYSA-N 1 0 296.505 3.607 50 0 CHAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ccncc2)c1 ZINC000071524609 176194227 /nfs/dbraw/zinc/19/42/27/176194227.db2.gz GNOSEAFVRFCKGK-QGZVFWFLSA-N 1 0 282.387 3.529 50 0 CHAARO CSc1cccc([C@@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000071790396 176263136 /nfs/dbraw/zinc/26/31/36/176263136.db2.gz LVQVJODXVMBRLF-CQSZACIVSA-N 1 0 265.328 3.735 50 0 CHAARO CCn1nc(C)c(C[N@@H+]2CCCC[C@@H]2c2ccccn2)c1C ZINC000072125266 176320706 /nfs/dbraw/zinc/32/07/06/176320706.db2.gz QNPDWVMUFFNFQX-GOSISDBHSA-N 1 0 298.434 3.642 50 0 CHAARO COc1cccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000072138927 176323085 /nfs/dbraw/zinc/32/30/85/176323085.db2.gz ZBGBREOUHSZYHQ-JKSUJKDBSA-N 1 0 289.419 3.647 50 0 CHAARO CCOCC[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000072144119 176323824 /nfs/dbraw/zinc/32/38/24/176323824.db2.gz XAVPMTKROVUHFA-OAHLLOKOSA-N 1 0 279.399 3.507 50 0 CHAARO C[C@H]([NH2+]Cc1cnc2ccccn12)c1cccc(Cl)c1 ZINC000072272613 176354789 /nfs/dbraw/zinc/35/47/89/176354789.db2.gz BRDFJVXAMZNQBB-LBPRGKRZSA-N 1 0 285.778 3.839 50 0 CHAARO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccncc2)c1C ZINC000072274488 176356113 /nfs/dbraw/zinc/35/61/13/176356113.db2.gz GXJBHFJGAZOVBX-UHFFFAOYSA-N 1 0 279.387 3.778 50 0 CHAARO COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(OC)c2)c1 ZINC000072277123 176356651 /nfs/dbraw/zinc/35/66/51/176356651.db2.gz TZNZQFRVGHTXTG-CQSZACIVSA-N 1 0 285.387 3.897 50 0 CHAARO COCc1nc(C[N@H+](CC2CCCCC2)C2CC2)cs1 ZINC000072304866 176365879 /nfs/dbraw/zinc/36/58/79/176365879.db2.gz ZJFWSVQBAIXABP-UHFFFAOYSA-N 1 0 294.464 3.834 50 0 CHAARO CC(C)[N@@H+]1CCCC[C@@H]1CCc1ccnc(Cl)c1 ZINC000072343845 176372167 /nfs/dbraw/zinc/37/21/67/176372167.db2.gz PXUKXYLVNJDCCL-CQSZACIVSA-N 1 0 266.816 3.931 50 0 CHAARO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1CCn1ccnc1 ZINC000077339312 177253934 /nfs/dbraw/zinc/25/39/34/177253934.db2.gz YJNGWELNXDMMAZ-OAHLLOKOSA-N 1 0 289.448 3.698 50 0 CHAARO Cc1ccc(OC2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000357538491 266316940 /nfs/dbraw/zinc/31/69/40/266316940.db2.gz ROPKZNRDLSTIKS-UHFFFAOYSA-N 1 0 282.387 3.746 50 0 CHAARO CCCCP(=O)(CCCC)CSC(N)=[NH2+] ZINC000004814903 327721336 /nfs/dbraw/zinc/72/13/36/327721336.db2.gz NFTDDOPWUACONS-UHFFFAOYSA-N 1 0 250.348 3.534 50 0 CHAARO Cc1cnc(C)c(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000534664244 328351532 /nfs/dbraw/zinc/35/15/32/328351532.db2.gz ITKOTWSCSJTZNE-OAHLLOKOSA-N 1 0 281.403 3.917 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000252512923 524046915 /nfs/dbraw/zinc/04/69/15/524046915.db2.gz WTRTZUAMIRKDFU-ZQIUZPCESA-N 1 0 261.409 3.715 50 0 CHAARO CCCc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)n[nH]1 ZINC000426597206 528680647 /nfs/dbraw/zinc/68/06/47/528680647.db2.gz JPHJXNFUDBPDBY-AWEZNQCLSA-N 1 0 298.434 3.971 50 0 CHAARO CCCC[C@@H]([NH2+]C1CCOCC1)c1ccc(OC)cc1 ZINC000096477076 528854473 /nfs/dbraw/zinc/85/44/73/528854473.db2.gz YYJRKZNHUJMJJR-QGZVFWFLSA-N 1 0 277.408 3.695 50 0 CHAARO CC[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccncc1 ZINC000096478356 529207794 /nfs/dbraw/zinc/20/77/94/529207794.db2.gz SUYUUTMRVMSOHG-SJORKVTESA-N 1 0 270.351 3.949 50 0 CHAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000183730937 566842656 /nfs/dbraw/zinc/84/26/56/566842656.db2.gz HUXVSBNYTDQPCP-ZDUSSCGKSA-N 1 0 265.360 3.756 50 0 CHAARO CC(C)c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299785367 566854063 /nfs/dbraw/zinc/85/40/63/566854063.db2.gz YIIDRPZAQGWZKR-XHSDSOJGSA-N 1 0 297.402 3.886 50 0 CHAARO c1ccc(N[C@@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)cc1 ZINC000084553354 566885086 /nfs/dbraw/zinc/88/50/86/566885086.db2.gz GNBOPMSAKTYPTB-OAHLLOKOSA-N 1 0 293.370 3.514 50 0 CHAARO CCCCC(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000084742888 566887661 /nfs/dbraw/zinc/88/76/61/566887661.db2.gz GZHCCDRTLFIHQB-UHFFFAOYSA-N 1 0 292.423 3.536 50 0 CHAARO CC(C)CC[N@@H+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C ZINC000001437999 566889432 /nfs/dbraw/zinc/88/94/32/566889432.db2.gz NRNKPUIJZXENIG-XYJFISCASA-N 1 0 275.436 3.651 50 0 CHAARO C[NH+](C)Cc1c(N)nc2ccccc2c1-c1ccccc1 ZINC000006177219 566925885 /nfs/dbraw/zinc/92/58/85/566925885.db2.gz YSHZFSPSTZALAT-UHFFFAOYSA-N 1 0 277.371 3.546 50 0 CHAARO Cn1cc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)cn1 ZINC000088765585 566936782 /nfs/dbraw/zinc/93/67/82/566936782.db2.gz PVZQVPDTCHWAFH-KRWDZBQOSA-N 1 0 287.382 3.580 50 0 CHAARO CC1(C)C[C@H]([NH2+]Cc2cccnc2)c2ccc(F)cc2O1 ZINC000151089688 566953692 /nfs/dbraw/zinc/95/36/92/566953692.db2.gz HMFXOTJSMFYRPH-HNNXBMFYSA-N 1 0 286.350 3.613 50 0 CHAARO C[C@H]1[C@H](O)[C@H](C)[C@@H](c2cccs2)[NH2+][C@H]1c1cccs1 ZINC000239562565 566966783 /nfs/dbraw/zinc/96/67/83/566966783.db2.gz CPNYMZKNSCYTRC-PSDLAXTLSA-N 1 0 293.457 3.828 50 0 CHAARO C[C@@H]([NH3+])CCc1ccc(-c2cncc(C(F)F)c2)cc1 ZINC000521398665 566976174 /nfs/dbraw/zinc/97/61/74/566976174.db2.gz XKUOSNOBTSLZGR-LLVKDONJSA-N 1 0 276.330 3.966 50 0 CHAARO CCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002019932 566977437 /nfs/dbraw/zinc/97/74/37/566977437.db2.gz VEPZOLKTNZOTTQ-MRXNPFEDSA-N 1 0 288.435 3.815 50 0 in-man CHAARO CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000036101074 566993568 /nfs/dbraw/zinc/99/35/68/566993568.db2.gz AWHXCQYFNYFGBW-AWEZNQCLSA-N 1 0 293.432 3.813 50 0 CHAARO Cc1cccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036098726 566994581 /nfs/dbraw/zinc/99/45/81/566994581.db2.gz ZBHKCDBGXQAGQY-HXUWFJFHSA-N 1 0 297.442 3.809 50 0 CHAARO CC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(C)c1 ZINC000036100747 566994945 /nfs/dbraw/zinc/99/49/45/566994945.db2.gz SCWOZDJLMWFEMI-KRWDZBQOSA-N 1 0 263.425 3.614 50 0 CHAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COC(C)(C)C ZINC000169677989 566996632 /nfs/dbraw/zinc/99/66/32/566996632.db2.gz YOFBTXGSANEOPO-UKRRQHHQSA-N 1 0 299.480 3.525 50 0 CHAARO Cc1sc2ccccc2[n+]1CCc1ccccc1 ZINC000036381162 567001833 /nfs/dbraw/zinc/00/18/33/567001833.db2.gz ZXPGQCXDZFSWDJ-UHFFFAOYSA-N 1 0 254.378 3.740 50 0 CHAARO Cc1nc2ccccc2n1CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000170592512 567011352 /nfs/dbraw/zinc/01/13/52/567011352.db2.gz IZIBNMDOTVZFQT-KRWDZBQOSA-N 1 0 294.402 3.510 50 0 CHAARO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000075920945 567026046 /nfs/dbraw/zinc/02/60/46/567026046.db2.gz NMNCZIMFJFKNIZ-NEPJUHHUSA-N 1 0 282.453 3.688 50 0 CHAARO c1cc(C[N@H+](Cc2ccoc2)C2CCCCC2)on1 ZINC000076040578 567027162 /nfs/dbraw/zinc/02/71/62/567027162.db2.gz KHOOWNHZXXYKHE-UHFFFAOYSA-N 1 0 260.337 3.603 50 0 CHAARO OCC[N@@H+]1CCC[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017290140 567040812 /nfs/dbraw/zinc/04/08/12/567040812.db2.gz HIQQFDVZPBVYFL-MOPGFXCFSA-N 1 0 281.399 3.600 50 0 CHAARO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccc2ccccc2c1 ZINC000193472620 567060903 /nfs/dbraw/zinc/06/09/03/567060903.db2.gz WKWLLNQHKCRZKL-CYBMUJFWSA-N 1 0 277.371 3.668 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506071 567062745 /nfs/dbraw/zinc/06/27/45/567062745.db2.gz SPJCPFUATJOLRA-INIZCTEOSA-N 1 0 274.339 3.768 50 0 CHAARO Cc1cc(C)c(C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(C)c1 ZINC000252514311 567062983 /nfs/dbraw/zinc/06/29/83/567062983.db2.gz CBNNSWWTCKVURO-CGTJXYLNSA-N 1 0 287.447 3.857 50 0 CHAARO COc1ccc(C[N@H+](C)[C@H]2C[C@H]2c2ccccc2)c(OC)c1 ZINC000252537115 567064243 /nfs/dbraw/zinc/06/42/43/567064243.db2.gz KIQHISXRKJPWKZ-ROUUACIJSA-N 1 0 297.398 3.692 50 0 CHAARO C[C@H]1CC2=C(C[C@H]1C[NH+]1CCN(C)CC1)C(C)(C)CCC2 ZINC000019703378 567123260 /nfs/dbraw/zinc/12/32/60/567123260.db2.gz DNZOJJXQVWDKTC-RDJZCZTQSA-N 1 0 290.495 3.787 50 0 biogenic CHAARO Cc1nccn1CCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000095423171 567132233 /nfs/dbraw/zinc/13/22/33/567132233.db2.gz KVFRQPVWYKCCJY-HNNXBMFYSA-N 1 0 271.408 3.631 50 0 CHAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC000095462639 567133118 /nfs/dbraw/zinc/13/31/18/567133118.db2.gz NPYGPEOXFQQELY-CHWSQXEVSA-N 1 0 273.380 3.569 50 0 CHAARO Cc1nc(CC[NH2+][C@H](c2ccc(F)cn2)C(C)C)cs1 ZINC000095466841 567136570 /nfs/dbraw/zinc/13/65/70/567136570.db2.gz FHBRVPAJVUWYQZ-HNNXBMFYSA-N 1 0 293.411 3.515 50 0 CHAARO Cc1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1Cl ZINC000225522357 567143929 /nfs/dbraw/zinc/14/39/29/567143929.db2.gz DEHZARYGANUBHL-AWEZNQCLSA-N 1 0 281.808 3.533 50 0 CHAARO C[N@H+](CCc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000057626073 567160099 /nfs/dbraw/zinc/16/00/99/567160099.db2.gz TZFISPFUNFBBMP-UHFFFAOYSA-N 1 0 291.398 3.547 50 0 CHAARO CCCCCCC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004028196 567184663 /nfs/dbraw/zinc/18/46/63/567184663.db2.gz VNWHTNXTGKWONG-JKSUJKDBSA-N 1 0 281.440 3.765 50 0 biogenic CHAARO C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccccn1 ZINC000069950177 567203274 /nfs/dbraw/zinc/20/32/74/567203274.db2.gz QBJMJNGAGQKJGT-LLVKDONJSA-N 1 0 296.292 3.831 50 0 CHAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc(F)cc1 ZINC000010311120 567204503 /nfs/dbraw/zinc/20/45/03/567204503.db2.gz ZBNGQZHPUWGJJV-QGZVFWFLSA-N 1 0 298.361 3.601 50 0 CHAARO Cc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000000196946 567822186 /nfs/dbraw/zinc/82/21/86/567822186.db2.gz LDNGMLUUTSJXLN-QGZVFWFLSA-N 1 0 262.356 3.711 50 0 biogenic CHAARO CCOc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1OC ZINC000000240153 567823029 /nfs/dbraw/zinc/82/30/29/567823029.db2.gz QBJRQMPVAASCST-UHFFFAOYSA-N 1 0 297.398 3.652 50 0 CHAARO COc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000000570990 567833727 /nfs/dbraw/zinc/83/37/27/567833727.db2.gz UPMJXBLRDCBHGF-ZDUSSCGKSA-N 1 0 271.360 3.555 50 0 CHAARO C[C@H]1CCCC[N@@H+]1C1CCN(Cc2ccccc2)CC1 ZINC000000757881 567834647 /nfs/dbraw/zinc/83/46/47/567834647.db2.gz LGWGJGAVDCGFRS-INIZCTEOSA-N 1 0 272.436 3.525 50 0 CHAARO C[NH+](C)CCN(Cc1ccc(Cl)s1)c1ccccc1 ZINC000096026360 567834675 /nfs/dbraw/zinc/83/46/75/567834675.db2.gz YHHOEVMEVVPVEF-UHFFFAOYSA-N 1 0 294.851 3.970 50 0 CHAARO c1ccc(C(c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000001575611 567838392 /nfs/dbraw/zinc/83/83/92/567838392.db2.gz LUYLEMZRJQTGPM-UHFFFAOYSA-N 1 0 251.373 3.818 50 0 CHAARO c1ccc([C@@H](C[NH+]2CCCCC2)Oc2ccccn2)cc1 ZINC000001700049 567841862 /nfs/dbraw/zinc/84/18/62/567841862.db2.gz MZPHZMLXLGXMTG-QGZVFWFLSA-N 1 0 282.387 3.688 50 0 CHAARO COc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000002380272 567845447 /nfs/dbraw/zinc/84/54/47/567845447.db2.gz HJCSKFSDXDPIKM-UHFFFAOYSA-N 1 0 280.371 3.509 50 0 CHAARO Clc1ccccc1OCCCC[NH+]1CCCCC1 ZINC000002494194 567846025 /nfs/dbraw/zinc/84/60/25/567846025.db2.gz GWAQYPSOCLIADJ-UHFFFAOYSA-N 1 0 267.800 3.985 50 0 CHAARO Clc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1 ZINC000002435244 567846036 /nfs/dbraw/zinc/84/60/36/567846036.db2.gz LGJAXSGTPKDJHN-CQSZACIVSA-N 1 0 291.778 3.869 50 0 CHAARO Cc1cc(C)cc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)c1 ZINC000002514904 567846220 /nfs/dbraw/zinc/84/62/20/567846220.db2.gz PKYFFHMMDMWCJW-UHFFFAOYSA-N 1 0 291.394 3.906 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@@H](C)CCc1ccccc1 ZINC000002499331 567846267 /nfs/dbraw/zinc/84/62/67/567846267.db2.gz UXDWWQJZZSFTDA-CVEARBPZSA-N 1 0 277.452 3.927 50 0 CHAARO [NH3+]Cc1ccccc1Oc1ccc(C(F)(F)F)cc1 ZINC000002513067 567846455 /nfs/dbraw/zinc/84/64/55/567846455.db2.gz ZBZCERFGQGUNDC-UHFFFAOYSA-N 1 0 267.250 3.956 50 0 CHAARO Cc1cccc(Cl)c1OCCOCC[NH+]1CCCCC1 ZINC000002896172 567850104 /nfs/dbraw/zinc/85/01/04/567850104.db2.gz FELNQNRERRBLDO-UHFFFAOYSA-N 1 0 297.826 3.530 50 0 CHAARO Cc1cc(C)c(OCCCC[NH+]2CCCC2)c(C)c1 ZINC000002897856 567850225 /nfs/dbraw/zinc/85/02/25/567850225.db2.gz MEVPKGCHXWFHKA-UHFFFAOYSA-N 1 0 261.409 3.867 50 0 CHAARO Brc1cccc(OCCC[NH+]2CCCCC2)c1 ZINC000003001289 567850947 /nfs/dbraw/zinc/85/09/47/567850947.db2.gz SXWQFJPKDHZWIG-UHFFFAOYSA-N 1 0 298.224 3.704 50 0 CHAARO COCCC[NH2+]CCCCOc1cc(C(C)C)ccc1C ZINC000003003437 567851218 /nfs/dbraw/zinc/85/12/18/567851218.db2.gz IQEPQFYBNCLACO-UHFFFAOYSA-N 1 0 293.451 3.904 50 0 CHAARO [NH3+][C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000004005965 567854668 /nfs/dbraw/zinc/85/46/68/567854668.db2.gz ZQNFUXDRYQQYAQ-IBGZPJMESA-N 1 0 289.378 3.623 50 0 CHAARO CC(=O)O[C@@]1(c2ccccc2)C[C@@H](C)C[N@@H+](C(C)(C)C)C1 ZINC000004030683 567854964 /nfs/dbraw/zinc/85/49/64/567854964.db2.gz CBBJQWWDAAESRN-KDOFPFPSSA-N 1 0 289.419 3.585 50 0 CHAARO CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000004657445 567858900 /nfs/dbraw/zinc/85/89/00/567858900.db2.gz AWBQBHNWOOPLMA-AWEZNQCLSA-N 1 0 255.361 3.936 50 0 CHAARO CCn1c2ccccc2cc/c1=[NH+]\c1ccc(OC)cc1 ZINC000013286452 567865662 /nfs/dbraw/zinc/86/56/62/567865662.db2.gz WUBIVQSIQLGVCT-VHEBQXMUSA-N 1 0 278.355 3.902 50 0 CHAARO Clc1ccc(O[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000014631786 567869616 /nfs/dbraw/zinc/86/96/16/567869616.db2.gz AMVSVXLRTIMQLA-NSHDSACASA-N 1 0 261.752 3.624 50 0 CHAARO COc1ccccc1Oc1ncccc1C[NH2+]C1CCCC1 ZINC000015073932 567870254 /nfs/dbraw/zinc/87/02/54/567870254.db2.gz YAMYUDUPMMUOJU-UHFFFAOYSA-N 1 0 298.386 3.915 50 0 CHAARO CC[C@H](C[N@@H+]1CCN(C(C)C)[C@H](C)C1)c1ccccc1 ZINC000043125092 567876129 /nfs/dbraw/zinc/87/61/29/567876129.db2.gz IXGWCVFXOJNZBA-IAGOWNOFSA-N 1 0 274.452 3.595 50 0 CHAARO CC[N@@H+]1CCC[C@@H]1CNCc1c(Cl)cccc1Cl ZINC000019366890 567877794 /nfs/dbraw/zinc/87/77/94/567877794.db2.gz CYZZHQYWYYCKCC-LLVKDONJSA-N 1 0 287.234 3.567 50 0 CHAARO CCN(CC[NH+](CC)CC)Cc1ccccc1Cl ZINC000019635089 567878073 /nfs/dbraw/zinc/87/80/73/567878073.db2.gz ITUMXUAOOFUDFT-UHFFFAOYSA-N 1 0 268.832 3.504 50 0 CHAARO CCCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000019906960 567879521 /nfs/dbraw/zinc/87/95/21/567879521.db2.gz GQXYGILLOMRNCI-SNVBAGLBSA-N 1 0 256.187 3.900 50 0 CHAARO Fc1ccc(C[NH2+]C2CCCC2)c(Br)c1 ZINC000020037027 567880288 /nfs/dbraw/zinc/88/02/88/567880288.db2.gz JODVHTPYEWWBJG-UHFFFAOYSA-N 1 0 272.161 3.620 50 0 CHAARO CC[C@@H](C)c1ccccc1OCCCC[NH+]1CCOCC1 ZINC000020118493 567880724 /nfs/dbraw/zinc/88/07/24/567880724.db2.gz OQURUCLNXSYDCY-MRXNPFEDSA-N 1 0 291.435 3.691 50 0 CHAARO Cc1cc(OCCCC[NH+]2CCOCC2)ccc1C(C)C ZINC000020117936 567880929 /nfs/dbraw/zinc/88/09/29/567880929.db2.gz IESIDORNAHTLBS-UHFFFAOYSA-N 1 0 291.435 3.610 50 0 CHAARO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)o1 ZINC000022023261 567881332 /nfs/dbraw/zinc/88/13/32/567881332.db2.gz GWRJELWYUFTEQN-MRXNPFEDSA-N 1 0 256.349 3.710 50 0 CHAARO Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c1 ZINC000029482462 567884243 /nfs/dbraw/zinc/88/42/43/567884243.db2.gz MUBSGENNPUDQNO-SFHVURJKSA-N 1 0 294.398 3.553 50 0 CHAARO CC[C@](CO)([NH2+]Cc1ccc(C)c(C)c1)c1ccccc1 ZINC000072289911 567884442 /nfs/dbraw/zinc/88/44/42/567884442.db2.gz KWNHYEFBWUINRS-LJQANCHMSA-N 1 0 283.415 3.691 50 0 CHAARO COc1ccc2[nH]cc(C[NH2+]CCc3ccccc3)c2c1 ZINC000030714463 567884771 /nfs/dbraw/zinc/88/47/71/567884771.db2.gz RPMBSELIDJQQMX-UHFFFAOYSA-N 1 0 280.371 3.509 50 0 biogenic CHAARO C[N@H+](Cc1cccc(Br)c1)C1CCCC1 ZINC000032917460 567886379 /nfs/dbraw/zinc/88/63/79/567886379.db2.gz LFFJNYQBWRNPDW-UHFFFAOYSA-N 1 0 268.198 3.824 50 0 CHAARO Clc1ccccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000000182750 567887494 /nfs/dbraw/zinc/88/74/94/567887494.db2.gz GPNXTSVXOFWFOU-UHFFFAOYSA-N 1 0 292.854 3.790 50 0 CHAARO Cc1cc(NCCC[NH+](C)C)nc2cc(Cl)ccc12 ZINC000002466143 567887956 /nfs/dbraw/zinc/88/79/56/567887956.db2.gz NAJXDKYDBDSLBG-UHFFFAOYSA-N 1 0 277.799 3.560 50 0 CHAARO C[C@@H]1C[NH+](C2CCC(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000023282998 567888835 /nfs/dbraw/zinc/88/88/35/567888835.db2.gz YWHAEDFZOJVVRV-RCDYEMGKSA-N 1 0 273.420 3.822 50 0 CHAARO Cc1cc2sc(NCCCn3ccnc3)nc2c(C)c1 ZINC000036657639 567889638 /nfs/dbraw/zinc/88/96/38/567889638.db2.gz MHUHQDWZHZBBRY-UHFFFAOYSA-N 1 0 286.404 3.612 50 0 CHAARO C[NH2+][C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000040940774 567890825 /nfs/dbraw/zinc/89/08/25/567890825.db2.gz HEDJEUMBKXDANM-CYBMUJFWSA-N 1 0 267.159 3.697 50 0 CHAARO CC[C@H](C)c1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772485 567891638 /nfs/dbraw/zinc/89/16/38/567891638.db2.gz XYFBXOLZRMMDCB-LSDHHAIUSA-N 1 0 261.409 3.969 50 0 CHAARO CCc1cc(Cl)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770965 567891656 /nfs/dbraw/zinc/89/16/56/567891656.db2.gz CPKDYJOFEGNVCU-CQSZACIVSA-N 1 0 267.800 3.813 50 0 CHAARO CC[C@H](C)c1ccc(O[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775097 567891932 /nfs/dbraw/zinc/89/19/32/567891932.db2.gz RJAVNZAOVOORKZ-JQWIXIFHSA-N 1 0 253.773 3.594 50 0 CHAARO Cc1ccccc1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000055544107 567894721 /nfs/dbraw/zinc/89/47/21/567894721.db2.gz GBKHHQSUZKQCQR-UHFFFAOYSA-N 1 0 294.442 3.934 50 0 CHAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000064666895 567897849 /nfs/dbraw/zinc/89/78/49/567897849.db2.gz MIXUPIYDGRFZDZ-INIZCTEOSA-N 1 0 286.375 3.719 50 0 CHAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)on1 ZINC000064667043 567898090 /nfs/dbraw/zinc/89/80/90/567898090.db2.gz XHMDTKHNMRCSAE-INIZCTEOSA-N 1 0 286.375 3.583 50 0 CHAARO CCc1cc([C@H]2CCCN2Cc2cccc(F)c2)on1 ZINC000064666936 567898142 /nfs/dbraw/zinc/89/81/42/567898142.db2.gz AANPRJABWHDJKJ-OAHLLOKOSA-N 1 0 274.339 3.713 50 0 CHAARO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000065396089 567899103 /nfs/dbraw/zinc/89/91/03/567899103.db2.gz WLURVHJZCYHWKC-WPNIOXTASA-N 1 0 295.430 3.699 50 0 CHAARO C[C@H](c1cccc(-c2ccc[nH]c2=O)c1)[NH+]1CCCC1 ZINC000065404491 567899116 /nfs/dbraw/zinc/89/91/16/567899116.db2.gz JLSRASQHGXDSET-CYBMUJFWSA-N 1 0 268.360 3.611 50 0 CHAARO C[C@@H](c1ccc(-c2ccnc(N)c2)cc1)[NH+]1CCCCC1 ZINC000065465268 567899594 /nfs/dbraw/zinc/89/95/94/567899594.db2.gz VHHNYXIJMRKBJG-AWEZNQCLSA-N 1 0 281.403 3.878 50 0 CHAARO CCC[C@@H](Cn1cnc(-c2ccccc2)c1C)[NH+](C)C ZINC000065470642 567899602 /nfs/dbraw/zinc/89/96/02/567899602.db2.gz NMWGQGYQJYLICO-INIZCTEOSA-N 1 0 271.408 3.589 50 0 CHAARO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000067724911 567900057 /nfs/dbraw/zinc/90/00/57/567900057.db2.gz BTRIJDPLCDTEHD-HNNXBMFYSA-N 1 0 283.346 3.675 50 0 CHAARO C[C@@H](c1nccn1CCC1CC[NH+](C)CC1)c1ccccc1 ZINC000071765645 567901810 /nfs/dbraw/zinc/90/18/10/567901810.db2.gz IXABWTGHUYUHMF-MRXNPFEDSA-N 1 0 297.446 3.767 50 0 CHAARO C[C@@H](C[N@H+](C)Cc1cccc(-n2cccn2)c1)C(F)(F)F ZINC000072454455 567902458 /nfs/dbraw/zinc/90/24/58/567902458.db2.gz TZZULZQECIIJTQ-LBPRGKRZSA-N 1 0 297.324 3.503 50 0 CHAARO COC[C@@H](C)C[N@H+](C)Cc1csc2ccccc12 ZINC000178030178 567902842 /nfs/dbraw/zinc/90/28/42/567902842.db2.gz RSFQRLXZHDCGTJ-LBPRGKRZSA-N 1 0 263.406 3.616 50 0 CHAARO Cc1cccc(OC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000072476310 567903200 /nfs/dbraw/zinc/90/32/00/567903200.db2.gz WSZNMXUUTMEVIN-UHFFFAOYSA-N 1 0 271.360 3.631 50 0 CHAARO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000097105387 567904533 /nfs/dbraw/zinc/90/45/33/567904533.db2.gz RBJIXVSCCKJLCU-KRWDZBQOSA-N 1 0 287.428 3.762 50 0 CHAARO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000097103353 567904625 /nfs/dbraw/zinc/90/46/25/567904625.db2.gz ONURQICLVRDFQL-SWLSCSKDSA-N 1 0 288.439 3.501 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000097159086 567905164 /nfs/dbraw/zinc/90/51/64/567905164.db2.gz QDZPGDADJZAIOO-IBGZPJMESA-N 1 0 291.398 3.792 50 0 CHAARO CC(C)(C)c1cc(CCC[NH3+])cc(C(C)(C)C)c1O ZINC000039153205 567906535 /nfs/dbraw/zinc/90/65/35/567906535.db2.gz LUWJFAGOLNUTBA-UHFFFAOYSA-N 1 0 263.425 3.879 50 0 CHAARO O=C(c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000055422135 567908846 /nfs/dbraw/zinc/90/88/46/567908846.db2.gz GQCCTZGWWWUYLS-KRWDZBQOSA-N 1 0 265.356 3.706 50 0 CHAARO Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c2cccnc12 ZINC000097529097 567910447 /nfs/dbraw/zinc/91/04/47/567910447.db2.gz UPFYUNLGQZCDRR-QZTJIDSGSA-N 1 0 296.414 3.687 50 0 CHAARO COCC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000097784937 567911234 /nfs/dbraw/zinc/91/12/34/567911234.db2.gz BPPWQYLDJWBAJP-INIZCTEOSA-N 1 0 261.409 3.552 50 0 CHAARO Cc1ccc([C@H](C)CC[NH+]2CC(c3cccnc3)C2)o1 ZINC000097757843 567911242 /nfs/dbraw/zinc/91/12/42/567911242.db2.gz NTRAPPXQAQLETD-CYBMUJFWSA-N 1 0 270.376 3.576 50 0 CHAARO C[C@@H](CC[NH2+]C1c2ccccc2-c2ccccc21)[S@@](C)=O ZINC000166254200 567927368 /nfs/dbraw/zinc/92/73/68/567927368.db2.gz NFCZDHZGDPELJN-ZSEKCTLFSA-N 1 0 299.439 3.503 50 0 CHAARO O[C@H](c1ccccc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000000346117 567931284 /nfs/dbraw/zinc/93/12/84/567931284.db2.gz PVXJJESJYYEWMJ-RBUKOAKNSA-N 1 0 281.399 3.600 50 0 CHAARO S=c1oc2ccccc2n1C[NH2+]C1CCCCC1 ZINC000005332292 567931833 /nfs/dbraw/zinc/93/18/33/567931833.db2.gz ZQIZPGQZWFYWCK-UHFFFAOYSA-N 1 0 262.378 3.844 50 0 CHAARO CCC[NH+](CCC)Cc1nnc(-c2cccc(C)c2)o1 ZINC000062639733 567933080 /nfs/dbraw/zinc/93/30/80/567933080.db2.gz ZJHQMNQIDQCQIQ-UHFFFAOYSA-N 1 0 273.380 3.667 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000017312461 567935067 /nfs/dbraw/zinc/93/50/67/567935067.db2.gz RWWAFGQFVXJYGT-CQSZACIVSA-N 1 0 282.387 3.538 50 0 CHAARO Cc1cc(C)c(C[NH2+][C@@H](C)c2nnc3ccccn32)c(C)c1 ZINC000015593802 567943976 /nfs/dbraw/zinc/94/39/76/567943976.db2.gz DTWXSAVLINWTFK-HNNXBMFYSA-N 1 0 294.402 3.505 50 0 CHAARO O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000019803925 567944771 /nfs/dbraw/zinc/94/47/71/567944771.db2.gz XGDJSNQOOWTBDO-OAHLLOKOSA-N 1 0 281.355 3.661 50 0 CHAARO CNc1nccnc1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000216543425 567947771 /nfs/dbraw/zinc/94/77/71/567947771.db2.gz KTRMFPHGRUFOGR-AWEZNQCLSA-N 1 0 296.418 3.732 50 0 CHAARO CCC(=O)O[C@](CC)(c1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000071772228 567948161 /nfs/dbraw/zinc/94/81/61/567948161.db2.gz OBYFEDCJFQJOBI-SJLPKXTDSA-N 1 0 289.419 3.587 50 0 CHAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccccc1 ZINC000000819109 567948243 /nfs/dbraw/zinc/94/82/43/567948243.db2.gz NKLQCSMKTKEDEQ-UHFFFAOYSA-N 1 0 281.334 3.838 50 0 CHAARO COc1ccc(CNc2[nH+]cc(-c3ccccc3)n2C)cc1 ZINC000000819069 567948422 /nfs/dbraw/zinc/94/84/22/567948422.db2.gz KJJUIWIRHLMAKM-UHFFFAOYSA-N 1 0 293.370 3.708 50 0 CHAARO c1ccc2c(c1)CC(C[NH2+][C@H]1CCOc3ccccc31)C2 ZINC000225545198 567953919 /nfs/dbraw/zinc/95/39/19/567953919.db2.gz HUHYTOMURBQNOR-SFHVURJKSA-N 1 0 279.383 3.515 50 0 CHAARO Cc1ccc2c(C[N@H+]3CCCC[C@H]3C)cc(=O)oc2c1C ZINC000002355060 570216880 /nfs/dbraw/zinc/21/68/80/570216880.db2.gz MEUUBMIEFPFTSQ-CYBMUJFWSA-N 1 0 285.387 3.784 50 0 CHAARO CC(C)=CCC/C(C)=C/C[NH+]1CCN(c2ccccn2)CC1 ZINC000006667509 570217838 /nfs/dbraw/zinc/21/78/38/570217838.db2.gz AYFPBGRZVTUSLN-VCHYOVAHSA-N 1 0 299.462 3.896 50 0 CHAARO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(F)c(Cl)c1 ZINC000226560355 570218272 /nfs/dbraw/zinc/21/82/72/570218272.db2.gz OZHYFDOAVRFVAF-NSHDSACASA-N 1 0 293.769 3.822 50 0 CHAARO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1cccc(O)c1 ZINC000055099106 570240487 /nfs/dbraw/zinc/24/04/87/570240487.db2.gz DPAGHYMEWIWBSW-CQSZACIVSA-N 1 0 270.376 3.588 50 0 CHAARO CCOc1cccc(C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000055284291 570241983 /nfs/dbraw/zinc/24/19/83/570241983.db2.gz RJWLBFHXEIHTES-UHFFFAOYSA-N 1 0 282.387 3.645 50 0 CHAARO Cc1cc(OCc2csc([C@@H]3CCCO3)n2)cc(C)[nH+]1 ZINC000128175646 570270335 /nfs/dbraw/zinc/27/03/35/570270335.db2.gz CAKNTSNBPGSMLT-AWEZNQCLSA-N 1 0 290.388 3.585 50 0 CHAARO CC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000002765059 570277987 /nfs/dbraw/zinc/27/79/87/570277987.db2.gz ZXBLYNZUBWHTKM-UHFFFAOYSA-N 1 0 282.387 3.537 50 0 CHAARO Fc1cccc([C@@H]2CCC[N@@H+]2CCc2ccncc2)c1 ZINC000048248662 570296593 /nfs/dbraw/zinc/29/65/93/570296593.db2.gz OOHIQGYXYNRHBJ-KRWDZBQOSA-N 1 0 270.351 3.600 50 0 CHAARO Nc1ccc([NH+]2CCCCC2)c(-c2ccccc2)c1 ZINC000142691400 570300629 /nfs/dbraw/zinc/30/06/29/570300629.db2.gz KNFIEEQPQMWNQJ-UHFFFAOYSA-N 1 0 252.361 3.926 50 0 CHAARO CC[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccncc1 ZINC000215101299 570302286 /nfs/dbraw/zinc/30/22/86/570302286.db2.gz KQIOBGPKUZRVTO-UHFFFAOYSA-N 1 0 265.360 3.585 50 0 CHAARO CO[C@@H]1CC[N@H+](Cc2ccc(SC3CCCCC3)o2)C1 ZINC000215243513 570302326 /nfs/dbraw/zinc/30/23/26/570302326.db2.gz KBBQWNPGXJAEKG-CYBMUJFWSA-N 1 0 295.448 3.925 50 0 CHAARO CCc1nccc(C[N@@H+](C)[C@@H](CC)c2ccccc2)n1 ZINC000222288123 570312188 /nfs/dbraw/zinc/31/21/88/570312188.db2.gz QVZSSOLOUCNRGS-INIZCTEOSA-N 1 0 269.392 3.622 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000038011491 570313722 /nfs/dbraw/zinc/31/37/22/570313722.db2.gz FRYIDMLWNUFKKQ-HNNXBMFYSA-N 1 0 275.783 3.612 50 0 CHAARO c1coc(CCC[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000244724148 570320853 /nfs/dbraw/zinc/32/08/53/570320853.db2.gz MONSBNJJHNJFMY-CYBMUJFWSA-N 1 0 262.378 3.506 50 0 CHAARO Cc1cnn(CCC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000244874501 570321000 /nfs/dbraw/zinc/32/10/00/570321000.db2.gz XCKCJTDIQRMMGS-QGZVFWFLSA-N 1 0 287.382 3.558 50 0 CHAARO CC(=O)c1cc(C[N@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)cs1 ZINC000244811777 570321043 /nfs/dbraw/zinc/32/10/43/570321043.db2.gz SLBBQZLNWMIHCE-CABCVRRESA-N 1 0 275.417 3.739 50 0 CHAARO OCCC[C@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000052761818 570325896 /nfs/dbraw/zinc/32/58/96/570325896.db2.gz CTTUWCOXTKULQA-QGZVFWFLSA-N 1 0 269.388 3.577 50 0 CHAARO C[NH+](C)[C@@H](CNc1nccc2occc21)c1ccccc1 ZINC000089313888 570356224 /nfs/dbraw/zinc/35/62/24/570356224.db2.gz LWGHKXTWKCWQCG-HNNXBMFYSA-N 1 0 281.359 3.543 50 0 CHAARO Cc1cnn(CC[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000089702502 570368131 /nfs/dbraw/zinc/36/81/31/570368131.db2.gz KKSYXAFLISBPMU-OAHLLOKOSA-N 1 0 279.387 3.696 50 0 CHAARO OC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCCC12CCCCC2 ZINC000252584450 570375498 /nfs/dbraw/zinc/37/54/98/570375498.db2.gz ANHCAFIQECEFDU-XHSDSOJGSA-N 1 0 265.441 3.630 50 0 CHAARO Cc1cc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c(C)s1 ZINC000253397060 570384893 /nfs/dbraw/zinc/38/48/93/570384893.db2.gz HVAXPQGKGYAFDL-MRXNPFEDSA-N 1 0 289.448 3.826 50 0 CHAARO CCn1ccc2ccc(C[NH2+]CC3(COC)CCC3)cc21 ZINC000952984911 616033999 /nfs/dbraw/zinc/03/39/99/616033999.db2.gz YKFRGCOPGGNYFS-UHFFFAOYSA-N 1 0 286.419 3.568 50 0 CHAARO CC[C@H](C(=O)Nc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000024809034 1125586563 /nfs/dbraw/zinc/58/65/63/1125586563.db2.gz NWZADFDTBBTORU-KRWDZBQOSA-N 1 0 296.414 3.881 50 0 CHAARO c1ccc(CCOc2ccc(C[NH2+]C3CCCC3)cc2)nc1 ZINC000299760680 1127746318 /nfs/dbraw/zinc/74/63/18/1127746318.db2.gz JDFHCWZFWORKQT-UHFFFAOYSA-N 1 0 296.414 3.735 50 0 CHAARO CC1([NH2+]Cc2cccc(OC3CCCC3)c2)CCOCC1 ZINC000131110644 1127760622 /nfs/dbraw/zinc/76/06/22/1127760622.db2.gz OGJRMBPZPABRGV-UHFFFAOYSA-N 1 0 289.419 3.667 50 0 CHAARO CC(C)c1noc(CC[NH2+][C@H](C)c2cccc(Cl)c2)n1 ZINC000089577911 1128336918 /nfs/dbraw/zinc/33/69/18/1128336918.db2.gz GNEPOBSASDPYIK-LLVKDONJSA-N 1 0 293.798 3.740 50 0 CHAARO C[C@H](CCCC(C)(C)O)CC[NH2+]Cc1ccsc1 ZINC000032561826 1117934631 /nfs/dbraw/zinc/93/46/31/1117934631.db2.gz XDMUYYWDEGUVFO-CYBMUJFWSA-N 1 0 269.454 3.805 50 0 CHAARO C[C@H](CCc1ccco1)[NH2+]Cc1nc2ccccc2o1 ZINC000679445335 1118076894 /nfs/dbraw/zinc/07/68/94/1118076894.db2.gz YFWXGEGHRXYEFN-GFCCVEGCSA-N 1 0 270.332 3.532 50 0 CHAARO CC(C)[NH2+]Cc1cc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000050479198 1118502010 /nfs/dbraw/zinc/50/20/10/1118502010.db2.gz FCRKOBCIFSWJKQ-UHFFFAOYSA-N 1 0 271.408 3.872 50 0 CHAARO Cc1cccc(OCCCCC[NH+]2CCCC2)c1C ZINC000002493431 1118570326 /nfs/dbraw/zinc/57/03/26/1118570326.db2.gz IGBHKQUOXSQIFW-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO CC[NH+](CC)CCCOc1cccc2ccccc21 ZINC000002494149 1118572713 /nfs/dbraw/zinc/57/27/13/1118572713.db2.gz CARILDYLBOTISK-UHFFFAOYSA-N 1 0 257.377 3.951 50 0 CHAARO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000002499128 1118575131 /nfs/dbraw/zinc/57/51/31/1118575131.db2.gz DHYMXXSQTLBQRF-SFHVURJKSA-N 1 0 294.442 3.830 50 0 CHAARO COCc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000037762682 1128834386 /nfs/dbraw/zinc/83/43/86/1128834386.db2.gz PKKYPJZXNGODEQ-CQSZACIVSA-N 1 0 255.361 3.684 50 0 CHAARO c1ccc(C[N@@H+]2C[C@@H]3C[C@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000166618714 1119895442 /nfs/dbraw/zinc/89/54/42/1119895442.db2.gz ZBAUXQDRYYCZQY-IPMKNSEASA-N 1 0 263.384 3.922 50 0 CHAARO Cc1cc(C)n(CCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000020206520 1120196720 /nfs/dbraw/zinc/19/67/20/1120196720.db2.gz QAKZNOWAIXHPDB-LJQANCHMSA-N 1 0 297.446 3.770 50 0 CHAARO c1ccc2oc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)nc2c1 ZINC000107327417 1120696403 /nfs/dbraw/zinc/69/64/03/1120696403.db2.gz KSVLOICKWMICNZ-DZGCQCFKSA-N 1 0 270.376 3.982 50 0 CHAARO c1ccc(CC[C@H]2CCCC[N@@H+]2CCc2ccccn2)nc1 ZINC000252503886 1121652477 /nfs/dbraw/zinc/65/24/77/1121652477.db2.gz VGZYOTNNLMALHX-LJQANCHMSA-N 1 0 295.430 3.506 50 0 CHAARO CCc1cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)on1 ZINC000252482218 1121653549 /nfs/dbraw/zinc/65/35/49/1121653549.db2.gz DAVCCPSYXSJDSQ-HNNXBMFYSA-N 1 0 274.364 3.947 50 0 CHAARO CC[N@@H+]1CCCC[C@@H]1CNc1ccc2cccc(OC)c2n1 ZINC000823113241 1121987649 /nfs/dbraw/zinc/98/76/49/1121987649.db2.gz WYUWTBZMXKZTBZ-OAHLLOKOSA-N 1 0 299.418 3.530 50 0 CHAARO COC1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000053906815 1125434670 /nfs/dbraw/zinc/43/46/70/1125434670.db2.gz ZABSOCIKGRJOAQ-LLVKDONJSA-N 1 0 253.773 3.512 50 0 CHAARO CCC(=O)O[C@]1(c2cccc(C)c2)C[C@H](C)[N@H+](C)C[C@H]1C ZINC000245380138 1129206676 /nfs/dbraw/zinc/20/66/76/1129206676.db2.gz SABQXRSQNPFMEG-RVKKMQEKSA-N 1 0 289.419 3.504 50 0 CHAARO C=Cc1cccc(C[NH+]2CCC([C@@H](C)COC)CC2)c1 ZINC000824332678 1129293535 /nfs/dbraw/zinc/29/35/35/1129293535.db2.gz GWFVAHIHOSJKQZ-HNNXBMFYSA-N 1 0 273.420 3.824 50 0 CHAARO CCCCc1oc2ccccc2c1C[N@@H+]1CC[C@H](CO)C1 ZINC000092763363 1129406795 /nfs/dbraw/zinc/40/67/95/1129406795.db2.gz DXVWECIBUNQLQI-AWEZNQCLSA-N 1 0 287.403 3.590 50 0 CHAARO C1=CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000000217215 1129737421 /nfs/dbraw/zinc/73/74/21/1129737421.db2.gz ODPBLKSOTZBQHW-UHFFFAOYSA-N 1 0 276.383 3.642 50 0 CHAARO CN(Cc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000000239422 1129737943 /nfs/dbraw/zinc/73/79/43/1129737943.db2.gz OGJSPOYWNGRPOE-UHFFFAOYSA-N 1 0 287.234 3.519 50 0 CHAARO CC(C)=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C(C)C)CC1 ZINC000020778029 1129849072 /nfs/dbraw/zinc/84/90/72/1129849072.db2.gz CBECSXWMTNOWJP-MRXNPFEDSA-N 1 0 294.483 3.606 50 0 CHAARO O=C(Nc1ccccc1C[NH+]1CCCC1)[C@@H]1CC=CCC1 ZINC000041970849 1131653771 /nfs/dbraw/zinc/65/37/71/1131653771.db2.gz RHAVWTYZIZGUNG-OAHLLOKOSA-N 1 0 284.403 3.577 50 0 CHAARO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H](OC(F)F)C1 ZINC000952845253 1132014420 /nfs/dbraw/zinc/01/44/20/1132014420.db2.gz NCDNDTUTRPXNNW-LBPRGKRZSA-N 1 0 292.329 3.670 50 0 CHAARO CC[N@@H+](Cc1ccc(-c2ccc(F)cc2C)o1)C[C@H](C)O ZINC000952845870 1132014561 /nfs/dbraw/zinc/01/45/61/1132014561.db2.gz ZOKRULBTIGFPHC-ZDUSSCGKSA-N 1 0 291.366 3.597 50 0 CHAARO COc1ncccc1C[NH2+][C@H](CC(C)(C)C)c1cccnc1 ZINC000952971097 1132017678 /nfs/dbraw/zinc/01/76/78/1132017678.db2.gz QZJPNRBXYXBQDF-MRXNPFEDSA-N 1 0 299.418 3.752 50 0 CHAARO Cc1ccc([C@@H](C[NH2+][C@H](C)CC(C)C)N2CCCC2)o1 ZINC000097016736 230386326 /nfs/dbraw/zinc/38/63/26/230386326.db2.gz YYWWDHGYCMJTQP-GDBMZVCRSA-N 1 0 278.440 3.749 50 0 CHAARO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc2cc(O)ccc2c1 ZINC000097743576 230387448 /nfs/dbraw/zinc/38/74/48/230387448.db2.gz SBCQZMMNNVCXKW-SFHVURJKSA-N 1 0 299.414 3.936 50 0 CHAARO Cc1cccc(-n2ccnc2SC[C@H](C)[NH+](C)C)c1C ZINC000095941654 185036750 /nfs/dbraw/zinc/03/67/50/185036750.db2.gz SWVCJOVIMTZETG-ZDUSSCGKSA-N 1 0 289.448 3.531 50 0 CHAARO C[C@H]([NH2+]Cc1ccc(Br)cc1)C1CCC1 ZINC000095967494 185046407 /nfs/dbraw/zinc/04/64/07/185046407.db2.gz PNCACSGFHXHEJN-JTQLQIEISA-N 1 0 268.198 3.727 50 0 CHAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000095968230 185046987 /nfs/dbraw/zinc/04/69/87/185046987.db2.gz PVRGDFXUYUSKPU-WDEREUQCSA-N 1 0 284.469 3.732 50 0 CHAARO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1C ZINC000095968480 185047186 /nfs/dbraw/zinc/04/71/86/185047186.db2.gz PBCFQAYEUNFVCA-GJZGRUSLSA-N 1 0 271.408 3.757 50 0 CHAARO C[C@H](c1ccc(-c2cccc(-n3cnnc3)c2)cc1)[NH+](C)C ZINC000096133167 185104705 /nfs/dbraw/zinc/10/47/05/185104705.db2.gz PGVDAIGQNZEBDL-CQSZACIVSA-N 1 0 292.386 3.557 50 0 CHAARO CCc1ccc([C@@H](C)[NH2+][C@H](CC)c2c(C)nn(C)c2C)o1 ZINC000133847834 529707698 /nfs/dbraw/zinc/70/76/98/529707698.db2.gz OPSAMYKIPSLRIM-IAQYHMDHSA-N 1 0 289.423 3.994 50 0 CHAARO CC(C)COCCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000097491780 185616297 /nfs/dbraw/zinc/61/62/97/185616297.db2.gz RPTGEKZKZMURFI-UHFFFAOYSA-N 1 0 284.469 3.593 50 0 CHAARO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000090542808 180000726 /nfs/dbraw/zinc/00/07/26/180000726.db2.gz AALXTSRXEOVSJP-KCQAQPDRSA-N 1 0 297.489 3.762 50 0 CHAARO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000110704180 186313876 /nfs/dbraw/zinc/31/38/76/186313876.db2.gz HXNWWUFIHQQJDH-JYJNAYRXSA-N 1 0 283.481 3.766 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)o1 ZINC000110704197 186314131 /nfs/dbraw/zinc/31/41/31/186314131.db2.gz ZZDNZXRLQJBYGM-ZENOOKHLSA-N 1 0 295.448 3.547 50 0 CHAARO Cc1nc2c(s1)[C@H]([N@H+](C)CC1CCCC1)CCC2 ZINC000111312363 186395575 /nfs/dbraw/zinc/39/55/75/186395575.db2.gz NSWXRBUSVIKFRH-CQSZACIVSA-N 1 0 264.438 3.951 50 0 CHAARO O[C@@H](C[NH2+]C1CC(c2ccc(Cl)cc2)C1)c1ccco1 ZINC000154099003 188122250 /nfs/dbraw/zinc/12/22/50/188122250.db2.gz BSAQFPFHOCZYLB-ZALBZXLWSA-N 1 0 291.778 3.502 50 0 CHAARO O=[N+]1C(c2cc3ccccc3o2)=CN(O)[C@@H]2CCCC[C@@H]21 ZINC000334157210 206119420 /nfs/dbraw/zinc/11/94/20/206119420.db2.gz UABKPNBWBBZDMR-OLZOCXBDSA-N 1 0 285.323 3.526 50 0 CHAARO C[C@H](c1ccc(-c2ccccc2C(=O)N(C)C)cc1)[NH+](C)C ZINC000096151048 256778807 /nfs/dbraw/zinc/77/88/07/256778807.db2.gz CYYGLXQLLNKVON-CQSZACIVSA-N 1 0 296.414 3.678 50 0 CHAARO C[C@@H]([NH2+]Cc1cccnc1)c1ccccc1OC(F)(F)F ZINC000097016323 533461445 /nfs/dbraw/zinc/46/14/45/533461445.db2.gz XWFRXXNXSJLRIP-LLVKDONJSA-N 1 0 296.292 3.831 50 0 CHAARO Cc1cc(C[NH+]2CCCC2)cc(-c2ccnc(C)c2)c1 ZINC000426684558 533599305 /nfs/dbraw/zinc/59/93/05/533599305.db2.gz SWVGPUCGCQRUOM-UHFFFAOYSA-N 1 0 266.388 3.961 50 0 CHAARO Cc1ccc(OCCCC[NH+]2CCCCC2)cc1C ZINC000002494090 169794983 /nfs/dbraw/zinc/79/49/83/169794983.db2.gz ODLFCZWROJFJFA-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO COc1ccccc1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515049 169798402 /nfs/dbraw/zinc/79/84/02/169798402.db2.gz JBCGRPAJWYPDDZ-UHFFFAOYSA-N 1 0 295.382 3.522 50 0 CHAARO C[C@H](C[NH+]1CCCC1)Oc1ccc2ccccc2c1 ZINC000002518818 169800598 /nfs/dbraw/zinc/80/05/98/169800598.db2.gz NBJPTRGONROFKL-CQSZACIVSA-N 1 0 255.361 3.703 50 0 CHAARO CC[NH+](CC)CCOCCOc1c(C)cc(Cl)cc1C ZINC000002894489 169842637 /nfs/dbraw/zinc/84/26/37/169842637.db2.gz HPLCYNVPSUMOSB-UHFFFAOYSA-N 1 0 299.842 3.694 50 0 CHAARO CC(C)(C)[NH2+]CCCOc1ccccc1Br ZINC000002899991 169842989 /nfs/dbraw/zinc/84/29/89/169842989.db2.gz AZGXBXKUZJBFMN-UHFFFAOYSA-N 1 0 286.213 3.606 50 0 CHAARO c1ccc2cc(OCCCC[NH2+]C[C@H]3CCCO3)ccc2c1 ZINC000003000855 169848550 /nfs/dbraw/zinc/84/85/50/169848550.db2.gz FONWJGNXLRJIPB-LJQANCHMSA-N 1 0 299.414 3.767 50 0 CHAARO Cc1ccc(Cn2cc(SC(N)=[NH2+])c3ccccc32)cc1 ZINC000003866086 169917626 /nfs/dbraw/zinc/91/76/26/169917626.db2.gz AYWMOCBHKLFSGD-UHFFFAOYSA-N 1 0 295.411 3.984 50 0 CHAARO C[C@H](Cc1ccccc1)[NH2+]CCCc1ccccc1 ZINC000003874851 169918749 /nfs/dbraw/zinc/91/87/49/169918749.db2.gz CYWPIEBWQAZHQX-MRXNPFEDSA-N 1 0 253.389 3.840 50 0 CHAARO COc1cc([C@H]2CCCCC[NH2+]2)cc(Cl)c1OC ZINC000004237914 169946764 /nfs/dbraw/zinc/94/67/64/169946764.db2.gz LSKIDPJVZPRYAP-GFCCVEGCSA-N 1 0 269.772 3.562 50 0 CHAARO C[C@H]([NH2+]C1CCCCC1)[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000004363345 169962257 /nfs/dbraw/zinc/96/22/57/169962257.db2.gz QHPUFCJLHPLOQB-GBGSKMMNSA-N 1 0 291.479 3.875 50 0 CHAARO C[NH2+]CCO[C@@]1(c2ccccc2C)CCCC[C@@H]1C ZINC000004655644 169993877 /nfs/dbraw/zinc/99/38/77/169993877.db2.gz PGWSTYAZLHDNFQ-RDJZCZTQSA-N 1 0 261.409 3.636 50 0 CHAARO Cc1ccc(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000004744722 170010089 /nfs/dbraw/zinc/01/00/89/170010089.db2.gz PZFJVVRWNVRPQM-KBPBESRZSA-N 1 0 288.435 3.610 50 0 CHAARO COc1ccccc1C[NH2+]Cc1cc(C)c(OC)cc1C ZINC000004891821 170036877 /nfs/dbraw/zinc/03/68/77/170036877.db2.gz TXOTVGRWRRGNHF-UHFFFAOYSA-N 1 0 285.387 3.610 50 0 CHAARO COc1cc(C[NH2+]Cc2ccc(C)cc2C)cc(OC)c1 ZINC000004891720 170036954 /nfs/dbraw/zinc/03/69/54/170036954.db2.gz ZHSUMWAFUFKGOU-UHFFFAOYSA-N 1 0 285.387 3.610 50 0 CHAARO CCCn1c2ccccc2nc1C[NH+]1CCC(C)CC1 ZINC000004911005 170040736 /nfs/dbraw/zinc/04/07/36/170040736.db2.gz ODLRBDPCKJOSDM-UHFFFAOYSA-N 1 0 271.408 3.678 50 0 CHAARO CCCn1c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000004911000 170040806 /nfs/dbraw/zinc/04/08/06/170040806.db2.gz BFGZFJZVJCLTBH-UHFFFAOYSA-N 1 0 271.408 3.822 50 0 CHAARO CC(C)Oc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000004978578 170048268 /nfs/dbraw/zinc/04/82/68/170048268.db2.gz MFFBRSHUMNTLCK-UHFFFAOYSA-N 1 0 277.408 3.729 50 0 CHAARO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(OC)c1 ZINC000004989284 170049974 /nfs/dbraw/zinc/04/99/74/170049974.db2.gz ASZCXAYHOHWMGK-OAHLLOKOSA-N 1 0 299.414 3.815 50 0 CHAARO Cc1ccc2c(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc(=O)oc2c1 ZINC000005163220 170072468 /nfs/dbraw/zinc/07/24/68/170072468.db2.gz GYQYYSLJMFFRTC-ZIAGYGMSSA-N 1 0 285.387 3.579 50 0 biogenic CHAARO CC(C)Oc1ccc(C(=O)CC[NH+]2CCCCCC2)cc1 ZINC000005230890 170077868 /nfs/dbraw/zinc/07/78/68/170077868.db2.gz OPYUZOGFEFQLKW-UHFFFAOYSA-N 1 0 289.419 3.923 50 0 CHAARO CC1(C)C[C@](CC[NH3+])(Cc2ccccc2Cl)CCO1 ZINC000005478307 170103392 /nfs/dbraw/zinc/10/33/92/170103392.db2.gz YFTUDCNWQVREPF-INIZCTEOSA-N 1 0 281.827 3.807 50 0 CHAARO C[NH2+][C@H](c1ccccc1)[C@@H]1c2cccc3cccc(c23)[C@@H]1O ZINC000005719815 170132889 /nfs/dbraw/zinc/13/28/89/170132889.db2.gz SLVDRYPCLUHEDO-ZCNNSNEGSA-N 1 0 289.378 3.931 50 0 CHAARO OC[C@H]1CCC[N@H+](C2CCCCC2)[C@H]1c1ccccc1 ZINC000005775450 170139743 /nfs/dbraw/zinc/13/97/43/170139743.db2.gz OSJBIUWOUITRHG-AEFFLSMTSA-N 1 0 273.420 3.765 50 0 CHAARO COc1ccc(CC[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000006558911 170213476 /nfs/dbraw/zinc/21/34/76/170213476.db2.gz NFKCMKGPQFAQSP-HNNXBMFYSA-N 1 0 269.388 3.631 50 0 CHAARO CCOc1c(C[NH2+]Cc2ccc(C)cc2)cccc1OC ZINC000006730660 170235043 /nfs/dbraw/zinc/23/50/43/170235043.db2.gz AEJRAYPLXHCOJG-UHFFFAOYSA-N 1 0 285.387 3.692 50 0 CHAARO CC[NH+](CC)CCNc1cc(C)c2cccc(C)c2n1 ZINC000007735878 170299703 /nfs/dbraw/zinc/29/97/03/170299703.db2.gz QJYWQQZYAWAHAS-UHFFFAOYSA-N 1 0 271.408 3.605 50 0 CHAARO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000008325275 170331594 /nfs/dbraw/zinc/33/15/94/170331594.db2.gz MRVPCJNRVNUKKG-AWEZNQCLSA-N 1 0 255.361 3.936 50 0 CHAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[NH+]1CCCCC1 ZINC000008700844 170346824 /nfs/dbraw/zinc/34/68/24/170346824.db2.gz GSJMLMQMOQLUHT-UHFFFAOYSA-N 1 0 290.794 3.888 50 0 CHAARO Fc1ccc(CC[NH2+]C/C=C/c2ccccc2)cc1 ZINC000008723265 170349564 /nfs/dbraw/zinc/34/95/64/170349564.db2.gz BTASBOXZUDJYRI-QPJJXVBHSA-N 1 0 255.336 3.671 50 0 CHAARO Cc1[nH]c2ccccc2c1[C@H](C[NH3+])c1ccccc1 ZINC000011919584 170458548 /nfs/dbraw/zinc/45/85/48/170458548.db2.gz GSGJVAPSKPIZOX-OAHLLOKOSA-N 1 0 250.345 3.567 50 0 CHAARO C[C@H](C[C@@H]1OC[C@@H](C[NH+]2CCCCC2)O1)CC(C)(C)C ZINC000013509665 170557046 /nfs/dbraw/zinc/55/70/46/170557046.db2.gz HFXRXQYPTWPANL-BZUAXINKSA-N 1 0 283.456 3.676 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000014201950 170624707 /nfs/dbraw/zinc/62/47/07/170624707.db2.gz DZOKHJLSFKOOIC-PBFPGSCMSA-N 1 0 274.408 3.559 50 0 CHAARO Fc1ccc(-c2c[n+](-c3ccccc3)c3n2CCS3)cc1 ZINC000015952654 170683700 /nfs/dbraw/zinc/68/37/00/170683700.db2.gz XKVXFRJTLDOOJT-UHFFFAOYSA-N 1 0 297.378 3.677 50 0 CHAARO COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1O ZINC000020133445 171020979 /nfs/dbraw/zinc/02/09/79/171020979.db2.gz MTWLFDAFSBSZFM-INIZCTEOSA-N 1 0 283.371 3.568 50 0 CHAARO Clc1cccc(OCC[C@H]2CCCC[NH2+]2)c1Cl ZINC000020221550 171082809 /nfs/dbraw/zinc/08/28/09/171082809.db2.gz WRRWENKACABDCY-SNVBAGLBSA-N 1 0 274.191 3.904 50 0 CHAARO CC(C)[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000020305321 171141731 /nfs/dbraw/zinc/14/17/31/171141731.db2.gz UCQUNOICIBLDPY-JTQLQIEISA-N 1 0 256.187 3.583 50 0 CHAARO CC(C)[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000020305328 171141911 /nfs/dbraw/zinc/14/19/11/171141911.db2.gz NCJMGRHWPYUJSJ-SNVBAGLBSA-N 1 0 256.187 3.583 50 0 CHAARO FC(F)(F)c1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000020593579 171263174 /nfs/dbraw/zinc/26/31/74/171263174.db2.gz GWYHTERACIYKLW-NSHDSACASA-N 1 0 273.298 3.616 50 0 CHAARO Cc1nc2ccccc2n1CCC[N@H+]1CCCC[C@@H]1C ZINC000020857527 171276492 /nfs/dbraw/zinc/27/64/92/171276492.db2.gz PAENHBPIMHCBDP-AWEZNQCLSA-N 1 0 271.408 3.609 50 0 CHAARO Cc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cn1 ZINC000020868693 171277219 /nfs/dbraw/zinc/27/72/19/171277219.db2.gz SJQFTHBMSSCFEG-UHFFFAOYSA-N 1 0 298.405 3.984 50 0 CHAARO Cc1ccc(C[NH2+]CCCOC2CCCCC2)s1 ZINC000021009063 171285971 /nfs/dbraw/zinc/28/59/71/171285971.db2.gz TYPLMCJHMXVICT-UHFFFAOYSA-N 1 0 267.438 3.886 50 0 CHAARO CC[NH+](CC)CCN(C)C/C(Cl)=C/c1ccccc1 ZINC000022455567 171388399 /nfs/dbraw/zinc/38/83/99/171388399.db2.gz SUFIXRIXIQZMOZ-SSZFMOIBSA-N 1 0 280.843 3.540 50 0 CHAARO CC(C)Oc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000032108824 171701178 /nfs/dbraw/zinc/70/11/78/171701178.db2.gz PBLUSNUAHQRJJG-UHFFFAOYSA-N 1 0 255.361 3.764 50 0 CHAARO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000037321146 173122331 /nfs/dbraw/zinc/12/23/31/173122331.db2.gz QTVQWACWDSTERV-HUUCEWRRSA-N 1 0 287.428 3.808 50 0 CHAARO C[C@H]1CCC[C@H](C)[NH+]1CCCC(=O)c1ccccc1 ZINC000037322778 173123028 /nfs/dbraw/zinc/12/30/28/173123028.db2.gz ILYDOLPBZRLXMK-GJZGRUSLSA-N 1 0 259.393 3.912 50 0 CHAARO [NH3+]C1(c2cccc(Br)c2)CCCCC1 ZINC000037382639 173168039 /nfs/dbraw/zinc/16/80/39/173168039.db2.gz GXIJPEOUTSNTTJ-UHFFFAOYSA-N 1 0 254.171 3.567 50 0 CHAARO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1Cl ZINC000038095405 174108771 /nfs/dbraw/zinc/10/87/71/174108771.db2.gz SDMYIDDJBLPLIS-NEPJUHHUSA-N 1 0 253.773 3.560 50 0 CHAARO CC(C)C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000038095571 174109231 /nfs/dbraw/zinc/10/92/31/174109231.db2.gz DONACSAWZIPZOL-IAGOWNOFSA-N 1 0 261.409 3.933 50 0 CHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CC(C)(C)C ZINC000039995697 174181972 /nfs/dbraw/zinc/18/19/72/174181972.db2.gz WWQSUIRYIMRKQU-UHFFFAOYSA-N 1 0 290.451 3.581 50 0 CHAARO CCc1ccccc1NC(=O)C[N@H+](CC(C)C)C(C)C ZINC000040091284 174189490 /nfs/dbraw/zinc/18/94/90/174189490.db2.gz AGTOHMKTIDXVQP-UHFFFAOYSA-N 1 0 276.424 3.554 50 0 CHAARO CC(C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770516 174870683 /nfs/dbraw/zinc/87/06/83/174870683.db2.gz VYIAAOFQHSLVGP-NSHDSACASA-N 1 0 298.224 3.561 50 0 CHAARO CC(C)c1cc(Cl)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042775180 174873689 /nfs/dbraw/zinc/87/36/89/174873689.db2.gz ZZCCJPIMFDWYIW-LBPRGKRZSA-N 1 0 267.800 3.842 50 0 CHAARO FC(F)Oc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC000071749442 176259307 /nfs/dbraw/zinc/25/93/07/176259307.db2.gz HOWJNEOCORNEGV-UHFFFAOYSA-N 1 0 275.298 3.601 50 0 CHAARO CCOCC[N@@H+]1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000072152735 176327565 /nfs/dbraw/zinc/32/75/65/176327565.db2.gz OAJJEGZVPYNNQF-CQSZACIVSA-N 1 0 297.389 3.646 50 0 CHAARO CCOCC[N@@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000072165663 176331154 /nfs/dbraw/zinc/33/11/54/176331154.db2.gz CFFDOZTYNJDKAW-AWEZNQCLSA-N 1 0 297.389 3.646 50 0 CHAARO CC[C@@H]([NH2+]C)c1ccc(-c2cc(NC)nc3[nH]ccc32)cc1 ZINC000072166874 176331871 /nfs/dbraw/zinc/33/18/71/176331871.db2.gz VIUIQXQNEBVCNR-MRXNPFEDSA-N 1 0 294.402 3.942 50 0 CHAARO COc1cccc(-n2cc(C[N@H+](C)CC3CCCC3)cn2)c1 ZINC000072172962 176333879 /nfs/dbraw/zinc/33/38/79/176333879.db2.gz SXZFPGYIYNXBPA-UHFFFAOYSA-N 1 0 299.418 3.503 50 0 CHAARO CC[C@H](O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000072268819 176353286 /nfs/dbraw/zinc/35/32/86/176353286.db2.gz ZRSQEEGNLYTKMO-KRWDZBQOSA-N 1 0 269.388 3.556 50 0 CHAARO CC[C@@H]1CN(c2ccc3ccccc3n2)CC[N@@H+]1C(C)C ZINC000077287690 177249104 /nfs/dbraw/zinc/24/91/04/177249104.db2.gz KGDOGJRMQOZHDQ-MRXNPFEDSA-N 1 0 283.419 3.544 50 0 CHAARO COCCC[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000077340218 177253852 /nfs/dbraw/zinc/25/38/52/177253852.db2.gz MIRILDZAJUYKBG-OAHLLOKOSA-N 1 0 286.419 3.807 50 0 CHAARO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)s1 ZINC000078432554 177341028 /nfs/dbraw/zinc/34/10/28/177341028.db2.gz LLBWUVWXYOTRRH-LBPRGKRZSA-N 1 0 288.416 3.563 50 0 CHAARO Fc1ccc(C2([NH2+]Cc3ccccc3)CCOCC2)cc1 ZINC000078665153 177368475 /nfs/dbraw/zinc/36/84/75/177368475.db2.gz ODYFYRGRHIMMCE-UHFFFAOYSA-N 1 0 285.362 3.621 50 0 CHAARO Cc1[nH]c2c(cccc2C)c1[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000021793207 260122197 /nfs/dbraw/zinc/12/21/97/260122197.db2.gz STJDIJMHKQKJDI-INIZCTEOSA-N 1 0 286.419 3.550 50 0 CHAARO OC1CCC([NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000000757733 261188737 /nfs/dbraw/zinc/18/87/37/261188737.db2.gz CBHUEDBCJODDTA-UHFFFAOYSA-N 1 0 273.420 3.606 50 0 CHAARO CCSC[C@H](C)[NH2+]Cc1cc(-c2cccc(F)c2)no1 ZINC000534629403 328328312 /nfs/dbraw/zinc/32/83/12/328328312.db2.gz NRMZOSKCEFRCFZ-NSHDSACASA-N 1 0 294.395 3.712 50 0 CHAARO CC(C)n1nccc1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000534645405 328330483 /nfs/dbraw/zinc/33/04/83/328330483.db2.gz FJXUWMJHWNJDFS-HNNXBMFYSA-N 1 0 299.418 3.524 50 0 CHAARO Cc1ccc([C@@H]([NH2+]C2CCOCC2)c2cccnc2)cc1C ZINC000534631020 328331382 /nfs/dbraw/zinc/33/13/82/328331382.db2.gz FHLBISIRQZTILH-LJQANCHMSA-N 1 0 296.414 3.556 50 0 CHAARO COc1ccnc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)n1 ZINC000534640117 328335706 /nfs/dbraw/zinc/33/57/06/328335706.db2.gz UZJQKNHVJQRJRF-AWEZNQCLSA-N 1 0 297.402 3.699 50 0 CHAARO Brc1cccc(OCCC[NH2+]C2CCCC2)c1 ZINC000002845236 526646225 /nfs/dbraw/zinc/64/62/25/526646225.db2.gz MUXNXBLPWIJRTH-UHFFFAOYSA-N 1 0 298.224 3.750 50 0 CHAARO CCOc1ccc(Cl)cc1CNCc1ccco1 ZINC000004488576 567857761 /nfs/dbraw/zinc/85/77/61/567857761.db2.gz PHTYQMRXMCYLGV-UHFFFAOYSA-N 1 0 265.740 3.622 50 0 CHAARO CC(C)CCO[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000000000035 567886221 /nfs/dbraw/zinc/88/62/21/567886221.db2.gz ISRODTBNJUAWEJ-QGZVFWFLSA-N 1 0 261.409 3.886 50 0 in-man CHAARO Cc1cccc(C[NH+](C)Cc2[nH]cc(C)c(=O)c2C)c1C ZINC000253536857 566831966 /nfs/dbraw/zinc/83/19/66/566831966.db2.gz QCLGHUGIPQJXMN-UHFFFAOYSA-N 1 0 284.403 3.653 50 0 CHAARO Cc1ccc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)s1 ZINC000215255151 566860615 /nfs/dbraw/zinc/86/06/15/566860615.db2.gz FULCCOPNHSVULC-KRWDZBQOSA-N 1 0 286.444 3.545 50 0 CHAARO COc1cc2c(cc1OC)C(C)(C)C[NH2+][C@H]2c1ccccc1 ZINC000041498081 566898134 /nfs/dbraw/zinc/89/81/34/566898134.db2.gz CSBSKOYHZJQRMM-SFHVURJKSA-N 1 0 297.398 3.674 50 0 CHAARO CSCc1cc(F)ccc1C[NH2+]Cc1scnc1C ZINC000088751812 566936530 /nfs/dbraw/zinc/93/65/30/566936530.db2.gz ILQIZNZDHYHNFX-UHFFFAOYSA-N 1 0 296.436 3.743 50 0 CHAARO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)[nH]n1 ZINC000090532042 566952583 /nfs/dbraw/zinc/95/25/83/566952583.db2.gz KEFRMYALNWOVLA-WCQYABFASA-N 1 0 283.375 3.746 50 0 CHAARO C[N@@H+]1[C@@H](c2ccccc2)C[C@H](O)C[C@H]1c1ccccc1 ZINC000239287453 566965805 /nfs/dbraw/zinc/96/58/05/566965805.db2.gz CVCRCZBXPUGBNK-BCDXTJNWSA-N 1 0 267.372 3.556 50 0 CHAARO C[C@@H](c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[NH+]1CCCC1 ZINC000426722694 566990219 /nfs/dbraw/zinc/99/02/19/566990219.db2.gz TYYCDPAFLNSTBK-LBPRGKRZSA-N 1 0 282.391 3.506 50 0 CHAARO c1coc(C[N@H+](Cc2ccccn2)C2CCCC2)c1 ZINC000064805523 566995059 /nfs/dbraw/zinc/99/50/59/566995059.db2.gz IQSPLNWGBWATHV-UHFFFAOYSA-N 1 0 256.349 3.619 50 0 CHAARO C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]([NH3+])CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000006780224 566996241 /nfs/dbraw/zinc/99/62/41/566996241.db2.gz WMEBIWWUBWHAOJ-ZKDKXJPTSA-N 1 0 291.479 3.717 50 0 CHAARO c1ccc([C@@H]([NH2+]Cc2cccc3c2OCO3)C2CC2)cc1 ZINC000036325161 566997111 /nfs/dbraw/zinc/99/71/11/566997111.db2.gz URZHZOFVFYUBGW-QGZVFWFLSA-N 1 0 281.355 3.656 50 0 CHAARO Cc1cc2c(c(C)[nH+]1)C[C@H](c1nc3ccccc3[nH]1)CC2 ZINC000036367425 566999810 /nfs/dbraw/zinc/99/98/10/566999810.db2.gz CYQXRLAIKLSDGR-CQSZACIVSA-N 1 0 277.371 3.847 50 0 biogenic CHAARO CCCCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccno1 ZINC000170595407 567012850 /nfs/dbraw/zinc/01/28/50/567012850.db2.gz PRXZIFJVJZTLHL-DZGCQCFKSA-N 1 0 250.386 3.903 50 0 CHAARO Cc1cc(C[NH2+]C2(c3ccccc3)CCCCC2)on1 ZINC000089608701 567023757 /nfs/dbraw/zinc/02/37/57/567023757.db2.gz ALPIWXVZAUJBAI-UHFFFAOYSA-N 1 0 270.376 3.932 50 0 CHAARO CC(C)n1c(C[NH2+]CC(C)(C)C)nc2ccccc21 ZINC000076017836 567027697 /nfs/dbraw/zinc/02/76/97/567027697.db2.gz CQDJIVVZZVACQL-UHFFFAOYSA-N 1 0 259.397 3.753 50 0 CHAARO C[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccco1 ZINC000089910126 567029726 /nfs/dbraw/zinc/02/97/26/567029726.db2.gz LGBGFIZBWHFYBZ-CYBMUJFWSA-N 1 0 266.344 3.721 50 0 CHAARO Cc1cccc([C@@H](O)C[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000193027413 567033501 /nfs/dbraw/zinc/03/35/01/567033501.db2.gz URJHURDWQYJVKV-OALUTQOASA-N 1 0 296.414 3.565 50 0 CHAARO CC(C)c1cccc(C(C)C)c1OCCOCC[NH+](C)C ZINC000002823344 567037215 /nfs/dbraw/zinc/03/72/15/567037215.db2.gz FVNACQPRKDHVFC-UHFFFAOYSA-N 1 0 293.451 3.890 50 0 CHAARO CCOc1ccc(OCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000002825074 567037334 /nfs/dbraw/zinc/03/73/34/567037334.db2.gz CBACYGAANQKZQR-HOTGVXAUSA-N 1 0 291.435 3.832 50 0 CHAARO Oc1ccc(CC2([NH+]3CCCC3)CCCCC2)cc1 ZINC000004127540 567040415 /nfs/dbraw/zinc/04/04/15/567040415.db2.gz QOOKRZFUKWNTEE-UHFFFAOYSA-N 1 0 259.393 3.733 50 0 CHAARO Cc1c([C@@H]2[C@H](CC[NH3+])C2(C)C)c2ccccc2n1C ZINC000002111443 567047780 /nfs/dbraw/zinc/04/77/80/567047780.db2.gz CSWYSAZUCZBEDB-BBRMVZONSA-N 1 0 256.393 3.575 50 0 biogenic CHAARO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccncc2F)c(C)c1 ZINC000252503290 567059697 /nfs/dbraw/zinc/05/96/97/567059697.db2.gz VASHXXPTWMBTOE-AWEZNQCLSA-N 1 0 272.367 3.997 50 0 CHAARO CCCCOC[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000039131705 567087178 /nfs/dbraw/zinc/08/71/78/567087178.db2.gz ZQUUUPGNTKRLPO-UHFFFAOYSA-N 1 0 295.406 3.751 50 0 CHAARO CC[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000253424799 567097965 /nfs/dbraw/zinc/09/79/65/567097965.db2.gz KYAICWIVWVWVMJ-JDEYZFBPSA-N 1 0 273.420 3.654 50 0 CHAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000253422845 567098191 /nfs/dbraw/zinc/09/81/91/567098191.db2.gz CVQDQMKBXYWZOO-CYBMUJFWSA-N 1 0 271.408 3.505 50 0 CHAARO CC[NH+](CC)CCCOc1cccc(Br)c1 ZINC000230532628 567107945 /nfs/dbraw/zinc/10/79/45/567107945.db2.gz XVZFDZMTLBBICG-UHFFFAOYSA-N 1 0 286.213 3.560 50 0 CHAARO C/C(=C\c1ccccc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019227023 567120125 /nfs/dbraw/zinc/12/01/25/567120125.db2.gz FIYRPYAROMYNMQ-DQSGYLJSSA-N 1 0 284.447 3.650 50 0 CHAARO Cc1cccc(C)c1OCCCCCC[NH+]1CCOCC1 ZINC000020038037 567126798 /nfs/dbraw/zinc/12/67/98/567126798.db2.gz ZYCGYIBBXBKYQB-UHFFFAOYSA-N 1 0 291.435 3.575 50 0 CHAARO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccccc1Cl ZINC000095389744 567127962 /nfs/dbraw/zinc/12/79/62/567127962.db2.gz PVWOAYIOLDHXGL-CHWSQXEVSA-N 1 0 295.810 3.676 50 0 CHAARO CCOc1cc(C[NH2+][C@H](C)c2sccc2C)ccn1 ZINC000095420325 567130864 /nfs/dbraw/zinc/13/08/64/567130864.db2.gz JHNZYCWMJRDGGL-GFCCVEGCSA-N 1 0 276.405 3.701 50 0 CHAARO CC(C)CSC[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000095419214 567131104 /nfs/dbraw/zinc/13/11/04/567131104.db2.gz JNGLMTALZAJMGS-STQMWFEESA-N 1 0 252.427 3.510 50 0 CHAARO c1csc(CCC[NH2+]Cc2cnc(C3CCC3)s2)n1 ZINC000095415498 567131262 /nfs/dbraw/zinc/13/12/62/567131262.db2.gz GEODRZQZIWGFNK-UHFFFAOYSA-N 1 0 293.461 3.590 50 0 CHAARO C[C@H]([NH2+]CCc1ccccc1F)c1cccnc1Cl ZINC000095419367 567131301 /nfs/dbraw/zinc/13/13/01/567131301.db2.gz NJTYQHWSUCRCJZ-NSHDSACASA-N 1 0 278.758 3.767 50 0 CHAARO C[C@@H]([NH2+]CC1(c2cccs2)CCCC1)c1cnccn1 ZINC000095421412 567132519 /nfs/dbraw/zinc/13/25/19/567132519.db2.gz ANJAGBBPAHMPKU-CYBMUJFWSA-N 1 0 287.432 3.701 50 0 CHAARO C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC000095430489 567133441 /nfs/dbraw/zinc/13/34/41/567133441.db2.gz UNIBBCRFNILCPB-TXEJJXNPSA-N 1 0 261.390 3.511 50 0 CHAARO c1ccc(O[C@H]2CCC[NH2+][C@H]2c2ccccc2)cc1 ZINC000096027214 567138305 /nfs/dbraw/zinc/13/83/05/567138305.db2.gz NMSLARHWBMBDOA-IRXDYDNUSA-N 1 0 253.345 3.559 50 0 CHAARO O=C(C[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000096028030 567138334 /nfs/dbraw/zinc/13/83/34/567138334.db2.gz OBZXBSZBHJUUJH-UHFFFAOYSA-N 1 0 271.404 3.553 50 0 CHAARO C[NH+](C)C[C@H](CCc1ccccc1)c1ccccc1 ZINC000096027179 567139015 /nfs/dbraw/zinc/13/90/15/567139015.db2.gz CGDJIDRBGSLQFU-SFHVURJKSA-N 1 0 253.389 3.965 50 0 CHAARO CCOc1ccc2[nH]cc(CC[NH2+]C3CCCC3)c2c1 ZINC000096319602 567141414 /nfs/dbraw/zinc/14/14/14/567141414.db2.gz FVLJSFGWEHLJMR-UHFFFAOYSA-N 1 0 272.392 3.641 50 0 CHAARO Cc1cnc(C[N@@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000670469574 567193925 /nfs/dbraw/zinc/19/39/25/567193925.db2.gz LPZRSXSQLBIUOC-LJQANCHMSA-N 1 0 295.430 3.585 50 0 CHAARO CN(C(=O)OC(C)(C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000171829246 567197822 /nfs/dbraw/zinc/19/78/22/567197822.db2.gz YLNRSLKPXMMTIK-UHFFFAOYSA-N 1 0 298.471 3.754 50 0 CHAARO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)C1 ZINC000069378446 567200448 /nfs/dbraw/zinc/20/04/48/567200448.db2.gz HYVYTRFOOREVKP-KGLIPLIRSA-N 1 0 282.387 3.509 50 0 CHAARO Cc1cc(CN(C)CCCOc2ccc(Cl)cc2)no1 ZINC000042132212 567205230 /nfs/dbraw/zinc/20/52/30/567205230.db2.gz LWADHGVQKSFRAS-UHFFFAOYSA-N 1 0 294.782 3.537 50 0 CHAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(F)cc1 ZINC000010311118 567205277 /nfs/dbraw/zinc/20/52/77/567205277.db2.gz ZBNGQZHPUWGJJV-KRWDZBQOSA-N 1 0 298.361 3.601 50 0 CHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)c2ccccc2)o1 ZINC000042907634 567205860 /nfs/dbraw/zinc/20/58/60/567205860.db2.gz XLDQEWSCWIBPML-CYBMUJFWSA-N 1 0 295.386 3.871 50 0 CHAARO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCCCCC1 ZINC000060992030 567218960 /nfs/dbraw/zinc/21/89/60/567218960.db2.gz IZJPAHOELBMEGD-NSHDSACASA-N 1 0 277.393 3.735 50 0 CHAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000000006588 567816459 /nfs/dbraw/zinc/81/64/59/567816459.db2.gz ZKMNUMMKYBVTFN-OAHLLOKOSA-N 1 0 274.408 3.506 50 0 world CHAARO Cc1ccccc1CN1c2ccccc2N2CCC[NH+]=C12 ZINC000000182198 567821745 /nfs/dbraw/zinc/82/17/45/567821745.db2.gz TUUPIYGCLBCPAD-UHFFFAOYSA-N 1 0 277.371 3.581 50 0 CHAARO Cc1ccc(N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000000276952 567823546 /nfs/dbraw/zinc/82/35/46/567823546.db2.gz ILNCLOLMDJZGOJ-UHFFFAOYSA-N 1 0 272.436 3.840 50 0 CHAARO Clc1ccc(CN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000000301938 567824715 /nfs/dbraw/zinc/82/47/15/567824715.db2.gz AYIKBEAJWJAMJL-UHFFFAOYSA-N 1 0 283.762 3.536 50 0 CHAARO CC(C)c1ccc(-c2c[n+]3ccccc3n2C)cc1 ZINC000000387343 567828250 /nfs/dbraw/zinc/82/82/50/567828250.db2.gz BBMTXIJWKGSTNI-UHFFFAOYSA-N 1 0 251.353 3.554 50 0 CHAARO Cc1ccc(C)c(C[NH+]2CCN(c3ccccc3C)CC2)c1 ZINC000001227136 567836426 /nfs/dbraw/zinc/83/64/26/567836426.db2.gz HEZYRHAHNXFXCA-UHFFFAOYSA-N 1 0 294.442 3.934 50 0 CHAARO CC[NH+](CC)CCOc1ccc(C(=O)c2ccccc2)cc1 ZINC000001690792 567841620 /nfs/dbraw/zinc/84/16/20/567841620.db2.gz GSTOOYJSPRJGDO-UHFFFAOYSA-N 1 0 297.398 3.638 50 0 CHAARO COc1ccccc1C[C@@H](C)[NH2+][C@H](C)CCCC(C)(C)O ZINC000002499173 567846470 /nfs/dbraw/zinc/84/64/70/567846470.db2.gz XKAWVQWKRHVDFP-HUUCEWRRSA-N 1 0 293.451 3.546 50 0 CHAARO C[C@@H](COc1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000002518796 567847388 /nfs/dbraw/zinc/84/73/88/567847388.db2.gz VDQNNIKKGMUASA-AWEZNQCLSA-N 1 0 255.361 3.703 50 0 CHAARO c1ccc2c3c(c(C[NH+]4CCCCC4)cc2c1)COC3 ZINC000002591948 567848602 /nfs/dbraw/zinc/84/86/02/567848602.db2.gz YXMKGAKVMNVSIV-UHFFFAOYSA-N 1 0 267.372 3.856 50 0 CHAARO OCCCc1nc2ccccc2n1CC1CCCCC1 ZINC000002873237 567849763 /nfs/dbraw/zinc/84/97/63/567849763.db2.gz BLTDISWNGIQSRS-UHFFFAOYSA-N 1 0 272.392 3.542 50 0 CHAARO CCCC[NH2+]CCCOc1cccc2ccccc21 ZINC000002899295 567850340 /nfs/dbraw/zinc/85/03/40/567850340.db2.gz UEAHFZVKNQHPCT-UHFFFAOYSA-N 1 0 257.377 3.998 50 0 CHAARO Cc1ccc(C(C)(C)C)c(OCCOCC[NH2+]C(C)C)c1 ZINC000003001017 567851010 /nfs/dbraw/zinc/85/10/10/567851010.db2.gz LQYMXRSUYDFISA-UHFFFAOYSA-N 1 0 293.451 3.686 50 0 CHAARO COCC[NH2+]CCCCOc1c(C)cccc1C(C)(C)C ZINC000003001811 567851165 /nfs/dbraw/zinc/85/11/65/567851165.db2.gz DDHKVTFERDAQCG-UHFFFAOYSA-N 1 0 293.451 3.688 50 0 CHAARO CC(C)[NH2+]CCCCOc1cccc(Br)c1 ZINC000003003105 567851321 /nfs/dbraw/zinc/85/13/21/567851321.db2.gz PPSGNRXSOMBVDX-UHFFFAOYSA-N 1 0 286.213 3.606 50 0 CHAARO CC(=O)O[C@]1(c2ccccc2)C[C@H](C)C[N@@H+](C(C)(C)C)C1 ZINC000004030682 567855137 /nfs/dbraw/zinc/85/51/37/567855137.db2.gz CBBJQWWDAAESRN-KBXCAEBGSA-N 1 0 289.419 3.585 50 0 CHAARO C[C@@H]1[C@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000004375812 567856997 /nfs/dbraw/zinc/85/69/97/567856997.db2.gz FAHFBUDMUKEFDS-AXUOBQJMSA-N 1 0 281.399 3.802 50 0 CHAARO Brc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000004657500 567858774 /nfs/dbraw/zinc/85/87/74/567858774.db2.gz CQRMPPYXHRNRII-UHFFFAOYSA-N 1 0 282.206 3.800 50 0 CHAARO CCC(=O)c1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000004870104 567859227 /nfs/dbraw/zinc/85/92/27/567859227.db2.gz AFLNEOSXJRFKJB-UHFFFAOYSA-N 1 0 289.419 3.780 50 0 CHAARO C[NH2+]C[C@H]1Nc2ccccc2Sc2ccccc21 ZINC000005334829 567859451 /nfs/dbraw/zinc/85/94/51/567859451.db2.gz ZGWGGARFWJJITJ-CYBMUJFWSA-N 1 0 256.374 3.524 50 0 CHAARO O=C(Nc1ccc(F)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010333737 567861293 /nfs/dbraw/zinc/86/12/93/567861293.db2.gz QRFLESIRXUPKAP-UHFFFAOYSA-N 1 0 298.361 3.674 50 0 CHAARO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010367487 567861296 /nfs/dbraw/zinc/86/12/96/567861296.db2.gz VUPDBXGRBZQPMN-UHFFFAOYSA-N 1 0 294.398 3.925 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000032576387 567862276 /nfs/dbraw/zinc/86/22/76/567862276.db2.gz UPCQDGVAQASFSA-HUUCEWRRSA-N 1 0 293.451 3.633 50 0 CHAARO C[C@H]1C[N@H+](CCCc2ccccc2)Cc2ccccc2O1 ZINC000012004489 567862434 /nfs/dbraw/zinc/86/24/34/567862434.db2.gz DXPOENDRFICJIY-INIZCTEOSA-N 1 0 281.399 3.902 50 0 CHAARO Cc1ccccc1Oc1ncccc1C[NH2+]C1CCC1 ZINC000012204009 567862722 /nfs/dbraw/zinc/86/27/22/567862722.db2.gz VAXRABUDKAEXFK-UHFFFAOYSA-N 1 0 268.360 3.824 50 0 CHAARO CCOc1ccc(Br)cc1[C@H]1CCCC[NH2+]1 ZINC000012404752 567863194 /nfs/dbraw/zinc/86/31/94/567863194.db2.gz GBHXWRIXBNBGGJ-GFCCVEGCSA-N 1 0 284.197 3.662 50 0 CHAARO Fc1ccc(CC2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000032578279 567863455 /nfs/dbraw/zinc/86/34/55/567863455.db2.gz KZAKJDHIZFROIR-INIZCTEOSA-N 1 0 279.424 3.586 50 0 CHAARO CCC[N@@H+]1C[C@H](C)[C@@](OC(C)=O)(c2ccccc2)C[C@@H]1C ZINC000013111055 567864726 /nfs/dbraw/zinc/86/47/26/567864726.db2.gz KOICPRXXJBUEBL-RLFYNMQTSA-N 1 0 289.419 3.585 50 0 CHAARO c1ccc(N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000015067673 567870237 /nfs/dbraw/zinc/87/02/37/567870237.db2.gz PHFZNAOSNHRWOD-LJQANCHMSA-N 1 0 292.426 3.730 50 0 CHAARO C[C@@H]1C[C@H](C)C[N+](=C2C=C(N3CCCC3)CC(C)(C)C2)C1 ZINC000015953135 567871779 /nfs/dbraw/zinc/87/17/79/567871779.db2.gz FQMNXKJTBBWHTO-IYBDPMFKSA-N 1 0 289.487 3.916 50 0 CHAARO C[C@H]1C[C@H](C)C[N+](=C2C=C(N3CCCC3)CC(C)(C)C2)C1 ZINC000015953136 567871855 /nfs/dbraw/zinc/87/18/55/567871855.db2.gz FQMNXKJTBBWHTO-HOTGVXAUSA-N 1 0 289.487 3.916 50 0 CHAARO Fc1cccc(Cl)c1C[NH2+]CCc1ccccc1 ZINC000016479296 567872978 /nfs/dbraw/zinc/87/29/78/567872978.db2.gz DGRZHZDIKBXQIJ-UHFFFAOYSA-N 1 0 263.743 3.811 50 0 CHAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)cc1 ZINC000019702293 567878612 /nfs/dbraw/zinc/87/86/12/567878612.db2.gz VFUYROFTDOIHPO-GOSISDBHSA-N 1 0 292.382 3.720 50 0 biogenic CHAARO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000019737862 567878897 /nfs/dbraw/zinc/87/88/97/567878897.db2.gz GOELAECIDCMZCB-LSDHHAIUSA-N 1 0 285.387 3.813 50 0 CHAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000019842485 567879111 /nfs/dbraw/zinc/87/91/11/567879111.db2.gz ZURHLWABVSCWRZ-MAUKXSAKSA-N 1 0 290.426 3.522 50 0 CHAARO Clc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019788921 567879296 /nfs/dbraw/zinc/87/92/96/567879296.db2.gz UYIZMAPXJJRKPV-UHFFFAOYSA-N 1 0 292.854 3.790 50 0 CHAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019881996 567879547 /nfs/dbraw/zinc/87/95/47/567879547.db2.gz VERWMFMRAAXIBX-UWVGGRQHSA-N 1 0 256.187 3.898 50 0 CHAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(Cl)c1C ZINC000043174262 567880513 /nfs/dbraw/zinc/88/05/13/567880513.db2.gz GEANVDFZRAXYIX-LLVKDONJSA-N 1 0 297.830 3.500 50 0 CHAARO OC[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000023115012 567881673 /nfs/dbraw/zinc/88/16/73/567881673.db2.gz JIFACQLQJFFQTP-QGZVFWFLSA-N 1 0 297.398 3.683 50 0 CHAARO CCOc1cc(C[N@H+](C)C2CCCCC2)ccc1OC ZINC000023281425 567882174 /nfs/dbraw/zinc/88/21/74/567882174.db2.gz DRAHAXUOWVKZEZ-UHFFFAOYSA-N 1 0 277.408 3.858 50 0 CHAARO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C(C)(C)C)C[C@@H]1C ZINC000034144943 567887067 /nfs/dbraw/zinc/88/70/67/567887067.db2.gz RJPQYHOYVZTHMX-KBXCAEBGSA-N 1 0 289.419 3.585 50 0 CHAARO Cc1ccc2nc(-c3ccc(NC(N)=[NH2+])cc3)sc2c1 ZINC000034936089 567888939 /nfs/dbraw/zinc/88/89/39/567888939.db2.gz WVTBXWSYCLOUMG-UHFFFAOYSA-N 1 0 282.372 3.577 50 0 CHAARO Clc1ccc(COCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042771824 567891629 /nfs/dbraw/zinc/89/16/29/567891629.db2.gz BKAPOHXRFFETFZ-NSHDSACASA-N 1 0 288.218 3.900 50 0 CHAARO Cc1ccc(C(C)C)c(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772865 567891707 /nfs/dbraw/zinc/89/17/07/567891707.db2.gz UETPBILWMDKGBS-OAHLLOKOSA-N 1 0 261.409 3.887 50 0 CHAARO CC[C@H](C)c1cc(Cl)ccc1OC1CC[NH2+]CC1 ZINC000042775404 567891998 /nfs/dbraw/zinc/89/19/98/567891998.db2.gz MYDTWMRCPBYNCF-NSHDSACASA-N 1 0 267.800 3.984 50 0 CHAARO CC(C)c1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775015 567892125 /nfs/dbraw/zinc/89/21/25/567892125.db2.gz SZZOCDMPSKRMIP-UHFFFAOYSA-N 1 0 253.773 3.594 50 0 CHAARO CCC[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccccc1 ZINC000058876399 567896359 /nfs/dbraw/zinc/89/63/59/567896359.db2.gz ORZXJAKEZVBPJM-UHFFFAOYSA-N 1 0 290.451 3.544 50 0 CHAARO CCc1cc([C@@H]2CCCN2Cc2ccc(F)cc2)on1 ZINC000064667015 567898060 /nfs/dbraw/zinc/89/80/60/567898060.db2.gz UKLHGCXFUIMSQL-HNNXBMFYSA-N 1 0 274.339 3.713 50 0 CHAARO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000065430559 567898955 /nfs/dbraw/zinc/89/89/55/567898955.db2.gz FHJCZBHDSVPRCA-LLVKDONJSA-N 1 0 273.829 3.793 50 0 CHAARO C[N@H+](Cc1cccs1)Cc1cccc(-n2cccn2)c1 ZINC000065408467 567898969 /nfs/dbraw/zinc/89/89/69/567898969.db2.gz WMXOWPAFJCDFSS-UHFFFAOYSA-N 1 0 283.400 3.566 50 0 CHAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000065396668 567898982 /nfs/dbraw/zinc/89/89/82/567898982.db2.gz HZRSQBHUXDZOTM-SFHVURJKSA-N 1 0 297.402 3.623 50 0 CHAARO Cc1cccnc1C[C@H](C)[N@H+](C)Cc1cccs1 ZINC000065489699 567899519 /nfs/dbraw/zinc/89/95/19/567899519.db2.gz IAZABEFLNPNGRN-ZDUSSCGKSA-N 1 0 260.406 3.515 50 0 CHAARO C[NH2+]Cc1cc(-c2ccc3[nH]ccc3c2)ccc1OC ZINC000067855315 567900573 /nfs/dbraw/zinc/90/05/73/567900573.db2.gz SPDLSIHBSAXAPI-UHFFFAOYSA-N 1 0 266.344 3.563 50 0 CHAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1c[nH]c2cc(=O)ccc-2c1 ZINC000071761518 567901897 /nfs/dbraw/zinc/90/18/97/567901897.db2.gz FPQSWLSFUAOZEM-ZDUSSCGKSA-N 1 0 293.370 3.528 50 0 CHAARO COc1ccc2c(c1)CC[NH2+][C@H]2Cc1c[nH]c2ccccc12 ZINC000071772033 567902050 /nfs/dbraw/zinc/90/20/50/567902050.db2.gz SDWUNMAJTAEURG-IBGZPJMESA-N 1 0 292.382 3.606 50 0 CHAARO CCO[C@H](C)c1nc(CN(C)c2cccc(C)n2)cs1 ZINC000097096472 567904212 /nfs/dbraw/zinc/90/42/12/567904212.db2.gz ZNAJHVHXUFYMKK-GFCCVEGCSA-N 1 0 291.420 3.580 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](c1cccs1)c1ccc(C)cc1 ZINC000097159366 567905009 /nfs/dbraw/zinc/90/50/09/567905009.db2.gz HYVLALFRFIMKKE-QGZVFWFLSA-N 1 0 297.427 3.967 50 0 CHAARO CC(C)(C)c1ccc(CSC(=[NH2+])NC2CC2)cc1 ZINC000011255034 567906272 /nfs/dbraw/zinc/90/62/72/567906272.db2.gz PMJCKRUAFLZNDX-UHFFFAOYSA-N 1 0 262.422 3.904 50 0 CHAARO CCC[C@@H]1CN(c2cc(C)c3ccccc3n2)C[C@H]1[NH+](C)C ZINC000082087922 567906873 /nfs/dbraw/zinc/90/68/73/567906873.db2.gz IGGSMHLAHNIIEY-CRAIPNDOSA-N 1 0 297.446 3.710 50 0 CHAARO COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2C)cc1OC ZINC000072659258 567908147 /nfs/dbraw/zinc/90/81/47/567908147.db2.gz QZPGZMZNMOBDTB-UHFFFAOYSA-N 1 0 299.414 3.919 50 0 CHAARO CC[N@H+](Cc1csc(C(C)=O)c1)[C@@H]1CCOC(C)(C)C1 ZINC000097515043 567910556 /nfs/dbraw/zinc/91/05/56/567910556.db2.gz NXZCLCXQRIWUQT-CQSZACIVSA-N 1 0 295.448 3.730 50 0 CHAARO c1ccc2nc(C[NH+]3CCC4(CCOCC4)CC3)ccc2c1 ZINC000097532705 567910703 /nfs/dbraw/zinc/91/07/03/567910703.db2.gz PIDCWGPHZORYGL-UHFFFAOYSA-N 1 0 296.414 3.627 50 0 CHAARO Cc1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nn1 ZINC000097572251 567910800 /nfs/dbraw/zinc/91/08/00/567910800.db2.gz GVFBJPKGLCKKBU-AWEZNQCLSA-N 1 0 267.376 3.609 50 0 CHAARO Cc1ncc(C(C)C)c(-c2ccc(C[NH+](C)C)cc2)n1 ZINC000097679999 567910890 /nfs/dbraw/zinc/91/08/90/567910890.db2.gz NBPUVXLZRZZKGH-UHFFFAOYSA-N 1 0 269.392 3.637 50 0 CHAARO O[C@@H]1CCC[N@H+](Cc2ccc(C3CCCC3)s2)CC1 ZINC000097660708 567910992 /nfs/dbraw/zinc/91/09/92/567910992.db2.gz FCJAQJQLUIAWEA-CQSZACIVSA-N 1 0 279.449 3.753 50 0 CHAARO Cc1ncc(C(C)C)c(-c2ccccc2C[NH+](C)C)n1 ZINC000097679908 567911057 /nfs/dbraw/zinc/91/10/57/567911057.db2.gz XACZAJPUPIOZMA-UHFFFAOYSA-N 1 0 269.392 3.637 50 0 CHAARO Cc1[nH+]c(CN2CC[C@H]2c2ccc(F)cc2)c2ccccn12 ZINC000102534592 567915231 /nfs/dbraw/zinc/91/52/31/567915231.db2.gz PCKOBNGFGONWGE-KRWDZBQOSA-N 1 0 295.361 3.729 50 0 CHAARO CCOc1cc2c(cc1OCC)[C@H]([C@H](C)CC)[NH2+]CC2 ZINC000000141633 567923884 /nfs/dbraw/zinc/92/38/84/567923884.db2.gz IOEDBYAFSCGWPC-PXAZEXFGSA-N 1 0 277.408 3.717 50 0 CHAARO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC000000186674 567924842 /nfs/dbraw/zinc/92/48/42/567924842.db2.gz SPHISTHYEUHNGE-INIZCTEOSA-N 1 0 288.435 3.815 50 0 CHAARO CCn1cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)cn1 ZINC000426433686 567929083 /nfs/dbraw/zinc/92/90/83/567929083.db2.gz QTUJYEYFFWAQTK-CQSZACIVSA-N 1 0 269.392 3.727 50 0 CHAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000005163596 567929535 /nfs/dbraw/zinc/92/95/35/567929535.db2.gz RBQNQFMKPXTQKL-CYBMUJFWSA-N 1 0 270.376 3.615 50 0 CHAARO c1c2ccccc2[nH]c1C1CCN(c2ccccn2)CC1 ZINC000065946627 567930843 /nfs/dbraw/zinc/93/08/43/567930843.db2.gz PZRVMRCASBYRND-UHFFFAOYSA-N 1 0 277.371 3.947 50 0 CHAARO COc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(OC)c1 ZINC000000263773 567935637 /nfs/dbraw/zinc/93/56/37/567935637.db2.gz ZIECMJLJJMFKOW-IBGZPJMESA-N 1 0 297.398 3.871 50 0 CHAARO Fc1cccc(Cl)c1CSC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000014196648 567942543 /nfs/dbraw/zinc/94/25/43/567942543.db2.gz UTXOXQSLOVHAGX-BETUJISGSA-N 1 0 298.814 3.983 50 0 CHAARO O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000019803926 567944757 /nfs/dbraw/zinc/94/47/57/567944757.db2.gz XGDJSNQOOWTBDO-HNNXBMFYSA-N 1 0 281.355 3.661 50 0 CHAARO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000019908256 567945049 /nfs/dbraw/zinc/94/50/49/567945049.db2.gz RRHDOGCAQINUEW-NSHDSACASA-N 1 0 289.762 3.920 50 0 CHAARO COc1cccc([C@H](C)[NH2+]CCc2ccccc2)c1 ZINC000019919876 567945067 /nfs/dbraw/zinc/94/50/67/567945067.db2.gz ISQOEQSIAKIDNY-AWEZNQCLSA-N 1 0 255.361 3.589 50 0 CHAARO COc1cccc([C@@H](C)[NH2+]CCc2ccccc2F)c1 ZINC000019912728 567945121 /nfs/dbraw/zinc/94/51/21/567945121.db2.gz UKWSJVGRQJVQCA-CYBMUJFWSA-N 1 0 273.351 3.728 50 0 CHAARO C[C@@H](c1ccccn1)N(C)Cc1nc2c(s1)CCCC2 ZINC000214953777 567947095 /nfs/dbraw/zinc/94/70/95/567947095.db2.gz QKXQQGDUVHKWLA-LBPRGKRZSA-N 1 0 287.432 3.610 50 0 CHAARO Cc1ccc(F)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000216340776 567947657 /nfs/dbraw/zinc/94/76/57/567947657.db2.gz YWDGETSXXWMIHU-UHFFFAOYSA-N 1 0 295.361 3.610 50 0 CHAARO C[C@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000032777676 567948698 /nfs/dbraw/zinc/94/86/98/567948698.db2.gz CJQIVLRRDCRIRZ-HOCLYGCPSA-N 1 0 274.408 3.526 50 0 CHAARO c1ccc([C@@H](Cc2ccccn2)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000225585845 567953967 /nfs/dbraw/zinc/95/39/67/567953967.db2.gz HCSYVPMFZHCBQS-RTBURBONSA-N 1 0 294.398 3.648 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CCO[C@H]2C)o1 ZINC000225526780 567954082 /nfs/dbraw/zinc/95/40/82/567954082.db2.gz LMKYQIPQPORYNZ-LRDDRELGSA-N 1 0 289.350 3.661 50 0 CHAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc2cc(Cl)ccc2o1 ZINC000097370978 570218701 /nfs/dbraw/zinc/21/87/01/570218701.db2.gz CKAXKZTXEDSHQU-UHIISALHSA-N 1 0 291.778 3.674 50 0 CHAARO COc1ccc([C@H](C[NH3+])c2c(C)[nH]c3ccccc32)cc1 ZINC000011919586 570221008 /nfs/dbraw/zinc/22/10/08/570221008.db2.gz WZKWOYOXPOFXOL-INIZCTEOSA-N 1 0 280.371 3.576 50 0 CHAARO CC(=O)c1ccc(C[N@H+](Cc2ccccn2)CC(C)C)cc1 ZINC000055072165 570240384 /nfs/dbraw/zinc/24/03/84/570240384.db2.gz GLPGWZQTRZDCFU-UHFFFAOYSA-N 1 0 296.414 3.942 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000055292269 570242426 /nfs/dbraw/zinc/24/24/26/570242426.db2.gz QSQYPOZJUYPBOZ-UHFFFAOYSA-N 1 0 286.444 3.687 50 0 CHAARO Cc1ccc(C[N@@H+](C/C=C/c2ccco2)CCCO)s1 ZINC000055385885 570242731 /nfs/dbraw/zinc/24/27/31/570242731.db2.gz DMLCWEBPHSSXCG-GORDUTHDSA-N 1 0 291.416 3.547 50 0 CHAARO CCC[C@H](C)[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055358259 570242803 /nfs/dbraw/zinc/24/28/03/570242803.db2.gz FRYUICRXKXBPIP-AWEZNQCLSA-N 1 0 269.392 3.730 50 0 CHAARO CC[C@@H](CO)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000055357867 570242938 /nfs/dbraw/zinc/24/29/38/570242938.db2.gz OVHPHCDHIFHRMC-INIZCTEOSA-N 1 0 289.444 3.564 50 0 CHAARO c1cc2c(s1)[C@@H]1CCCC[C@H]1O[C@]21C[NH+]2CCC1CC2 ZINC000103032501 570260660 /nfs/dbraw/zinc/26/06/60/570260660.db2.gz YOTNJKHOKZAJDD-UNEWFSDZSA-N 1 0 289.444 3.725 50 0 CHAARO COc1cccc([C@@H]2CCN2Cc2coc(C(C)C)n2)c1 ZINC000215223454 570302457 /nfs/dbraw/zinc/30/24/57/570302457.db2.gz YQPUZSOUONQCBV-INIZCTEOSA-N 1 0 286.375 3.754 50 0 CHAARO Cc1[nH]c2ccc(C[NH2+][C@@H](C)Cc3cccnc3)cc2c1C ZINC000012431335 570318488 /nfs/dbraw/zinc/31/84/88/570318488.db2.gz AVMKMXYQDMMCFE-ZDUSSCGKSA-N 1 0 293.414 3.901 50 0 CHAARO Cc1ccc(OCC[N@@H+](C)C2CCSCC2)c(C)c1 ZINC000244774241 570321077 /nfs/dbraw/zinc/32/10/77/570321077.db2.gz PQHJEJBGNORWEK-UHFFFAOYSA-N 1 0 279.449 3.510 50 0 CHAARO C[C@@H](Cc1ccccc1)[NH2+]CCCc1ccccc1 ZINC000003874850 570321763 /nfs/dbraw/zinc/32/17/63/570321763.db2.gz CYWPIEBWQAZHQX-INIZCTEOSA-N 1 0 253.389 3.840 50 0 CHAARO C[C@@H](C[NH+]1CCCCC1)Nc1nc2ccccc2s1 ZINC000047873392 570341637 /nfs/dbraw/zinc/34/16/37/570341637.db2.gz FKMDFAOYUGNJPD-LBPRGKRZSA-N 1 0 275.421 3.583 50 0 CHAARO Cc1cnn(CC[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000089702501 570368036 /nfs/dbraw/zinc/36/80/36/570368036.db2.gz KKSYXAFLISBPMU-HNNXBMFYSA-N 1 0 279.387 3.696 50 0 CHAARO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCc3cccc1c32)c1cnccn1 ZINC000090974629 570371046 /nfs/dbraw/zinc/37/10/46/570371046.db2.gz DWSHQHCTHHVTQY-DUVNUKRYSA-N 1 0 279.387 3.692 50 0 CHAARO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1cnn(C)c1 ZINC000095421534 570371783 /nfs/dbraw/zinc/37/17/83/570371783.db2.gz JCRHAKYNJRCVAR-DYVFJYSZSA-N 1 0 269.392 3.538 50 0 CHAARO O=C(c1ccccc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000000436612 570383283 /nfs/dbraw/zinc/38/32/83/570383283.db2.gz RKMMNJJFYFRSOY-GOSISDBHSA-N 1 0 279.383 3.749 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000004981159 570384905 /nfs/dbraw/zinc/38/49/05/570384905.db2.gz SXJVGQSBOLALOD-SFHVURJKSA-N 1 0 284.447 3.782 50 0 CHAARO C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH3+] ZINC000254303636 570389948 /nfs/dbraw/zinc/38/99/48/570389948.db2.gz WDTAJXMIXADUTH-RTYZRGRQSA-N 1 0 291.479 3.717 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037073469 570411388 /nfs/dbraw/zinc/41/13/88/570411388.db2.gz SUNCVWMNPCBADI-CYBMUJFWSA-N 1 0 293.823 3.698 50 0 CHAARO COc1ccc(/C=C/C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000952967579 617221080 /nfs/dbraw/zinc/22/10/80/617221080.db2.gz BBRKIXNRBCDSSR-LFAOLKIESA-N 1 0 282.387 3.796 50 0 CHAARO CC(C)c1nccn1CCC[NH2+]Cc1ccc(Cl)s1 ZINC000952980795 614328108 /nfs/dbraw/zinc/32/81/08/614328108.db2.gz QPIQJUNLRREWOA-UHFFFAOYSA-N 1 0 297.855 3.901 50 0 CHAARO CC[C@@H]1C=CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000952966564 615551122 /nfs/dbraw/zinc/55/11/22/615551122.db2.gz VMUKYBTYCACJTE-GOSISDBHSA-N 1 0 294.398 3.811 50 0 CHAARO Clc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000053206534 1125648874 /nfs/dbraw/zinc/64/88/74/1125648874.db2.gz NBWOKGFVBQFLES-UHFFFAOYSA-N 1 0 286.806 3.662 50 0 CHAARO CC(C)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000172177092 1127750094 /nfs/dbraw/zinc/75/00/94/1127750094.db2.gz ADHLKQQLSPYJOR-CYBMUJFWSA-N 1 0 289.379 3.588 50 0 CHAARO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000170639732 1128159022 /nfs/dbraw/zinc/15/90/22/1128159022.db2.gz UOPMUMWVDWYHNI-WBVHZDCISA-N 1 0 279.424 3.541 50 0 CHAARO Oc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000022023264 1118173531 /nfs/dbraw/zinc/17/35/31/1118173531.db2.gz SUWVCQVCKCEUSC-KRWDZBQOSA-N 1 0 268.360 3.514 50 0 CHAARO C[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000083442691 1118728846 /nfs/dbraw/zinc/72/88/46/1118728846.db2.gz QGCHPDGYVYGLTE-JTQLQIEISA-N 1 0 254.171 3.606 50 0 CHAARO c1ccc2cc(OCCOCC[NH+]3CCCCC3)ccc2c1 ZINC000002896457 1119147362 /nfs/dbraw/zinc/14/73/62/1119147362.db2.gz AXGXWDZSNPXCNN-UHFFFAOYSA-N 1 0 299.414 3.721 50 0 CHAARO Cc1coc(-c2cccc(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)n1 ZINC000253370216 1120037389 /nfs/dbraw/zinc/03/73/89/1120037389.db2.gz NWIFTSMLJPWXKM-HACGYAERSA-N 1 0 299.418 3.791 50 0 CHAARO C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccccc1 ZINC000216154919 1120244731 /nfs/dbraw/zinc/24/47/31/1120244731.db2.gz JKSAHXZWJRUXFO-HNNXBMFYSA-N 1 0 288.435 3.566 50 0 CHAARO CCC(=O)O[C@@]1(c2ccccc2)CC(C)(C)[N@H+](C)C[C@@H]1C ZINC000034134162 1120319736 /nfs/dbraw/zinc/31/97/36/1120319736.db2.gz XFKGFNCFBQCDRO-KSSFIOAISA-N 1 0 289.419 3.585 50 0 CHAARO Cc1ccc(Oc2ncccc2C[NH2+]C2CCCC2)cn1 ZINC000012436169 1120491057 /nfs/dbraw/zinc/49/10/57/1120491057.db2.gz IGPSQXDHEIDZCV-UHFFFAOYSA-N 1 0 283.375 3.610 50 0 CHAARO CCC[C@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000149775763 1120645707 /nfs/dbraw/zinc/64/57/07/1120645707.db2.gz NIGBFBTVONRYQN-CQSZACIVSA-N 1 0 265.784 3.787 50 0 in-vitro CHAARO CC[NH+](CC)Cc1cccnc1Oc1ccccc1 ZINC000215764107 1120663419 /nfs/dbraw/zinc/66/34/19/1120663419.db2.gz SWYWGAWEDANROH-UHFFFAOYSA-N 1 0 256.349 3.716 50 0 CHAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(C)C)cc1 ZINC000048342361 1120811567 /nfs/dbraw/zinc/81/15/67/1120811567.db2.gz CJJNQRZWVOBMHY-UHFFFAOYSA-N 1 0 290.451 3.581 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000004981114 1120936058 /nfs/dbraw/zinc/93/60/58/1120936058.db2.gz IDAVULAGODHNKZ-UHFFFAOYSA-N 1 0 294.442 3.668 50 0 CHAARO FC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccccc1)(C3)C2 ZINC000888095748 1121076157 /nfs/dbraw/zinc/07/61/57/1121076157.db2.gz ALFAXGLVTDBHMM-RYTJFDOTSA-N 1 0 259.368 3.837 50 0 CHAARO COC(C)(C)C[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534662663 1121448959 /nfs/dbraw/zinc/44/89/59/1121448959.db2.gz BIVXDGWQEUDBEO-AWEZNQCLSA-N 1 0 261.409 3.555 50 0 CHAARO C[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)C1=CCCCC1 ZINC000820723356 1121908995 /nfs/dbraw/zinc/90/89/95/1121908995.db2.gz IOQCSPODDWIVPF-HNNXBMFYSA-N 1 0 288.435 3.723 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000821175249 1121921960 /nfs/dbraw/zinc/92/19/60/1121921960.db2.gz TXYINSQVQNBHHC-GFCCVEGCSA-N 1 0 296.418 3.619 50 0 CHAARO Cc1ccn2c(c1)nc(-c1ccc(C)c(C)c1)c2C[NH+](C)C ZINC000031933035 1122882786 /nfs/dbraw/zinc/88/27/86/1122882786.db2.gz NPWZSOWVHIQLBT-UHFFFAOYSA-N 1 0 293.414 3.988 50 0 CHAARO Cc1nnc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)s1 ZINC000065490241 1123855024 /nfs/dbraw/zinc/85/50/24/1123855024.db2.gz HNPCOQQUIDRFMK-NSHDSACASA-N 1 0 273.405 3.670 50 0 CHAARO c1ccc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@H]3C2)cc1 ZINC000585138536 1131324866 /nfs/dbraw/zinc/32/48/66/1131324866.db2.gz ZBAUXQDRYYCZQY-FHWLQOOXSA-N 1 0 263.384 3.922 50 0 CHAARO CCOc1ccc(C[N@@H+]2CCC[C@H](COC)C2)cc1Cl ZINC000215034184 1125425374 /nfs/dbraw/zinc/42/53/74/1125425374.db2.gz WHDFEKRYJMVYRP-AWEZNQCLSA-N 1 0 297.826 3.597 50 0 CHAARO Cn1ccc2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc21 ZINC000216028787 1125426387 /nfs/dbraw/zinc/42/63/87/1125426387.db2.gz CDJAVSZHVOXIHK-UHFFFAOYSA-N 1 0 268.404 3.944 50 0 CHAARO Cc1cncc([C@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)c1 ZINC000184479670 1129204914 /nfs/dbraw/zinc/20/49/14/1129204914.db2.gz WPOIZNVERFEMEF-AWEZNQCLSA-N 1 0 299.418 3.813 50 0 CHAARO Cn1ccc2cc(C[N@H+](C)CCC[C@H]3CCCO3)ccc21 ZINC000823709288 1129270499 /nfs/dbraw/zinc/27/04/99/1129270499.db2.gz ULIJCOMXOQCLBN-KRWDZBQOSA-N 1 0 286.419 3.569 50 0 CHAARO Clc1ccncc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000825601661 1129323259 /nfs/dbraw/zinc/32/32/59/1129323259.db2.gz QPEJBOWENUBJBV-UHFFFAOYSA-N 1 0 250.773 3.501 50 0 CHAARO Cc1ccc2c(cccc2-c2ccc(C[NH+](C)C)cn2)n1 ZINC000065409670 1129609339 /nfs/dbraw/zinc/60/93/39/1129609339.db2.gz LEHJWNHZVUJGBJ-UHFFFAOYSA-N 1 0 277.371 3.667 50 0 CHAARO COCC[N@H+](Cc1nc(-c2cccs2)oc1C)C(C)C ZINC000015074550 1129835449 /nfs/dbraw/zinc/83/54/49/1129835449.db2.gz HAGBAEHCTBTJHC-UHFFFAOYSA-N 1 0 294.420 3.568 50 0 CHAARO COC[C@H](C)[N@H+](Cc1ccsc1)Cc1cccc(F)c1 ZINC000952873090 1132015936 /nfs/dbraw/zinc/01/59/36/1132015936.db2.gz GAJIOOBSFMUHMR-ZDUSSCGKSA-N 1 0 293.407 3.924 50 0 CHAARO O[C@H](c1cccs1)C1CC[NH+](Cc2cccs2)CC1 ZINC000952968322 1132019365 /nfs/dbraw/zinc/01/93/65/1132019365.db2.gz KXAFCOSRZCKOHJ-HNNXBMFYSA-N 1 0 293.457 3.755 50 0 CHAARO Cc1ccsc1[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC000097017134 230386150 /nfs/dbraw/zinc/38/61/50/230386150.db2.gz ZPJRWUSFBNNPNB-JTQLQIEISA-N 1 0 266.435 3.981 50 0 CHAARO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc2ccccc2o1 ZINC000095968130 185046231 /nfs/dbraw/zinc/04/62/31/185046231.db2.gz GWPVQKBLQIGYOR-MPBGBICISA-N 1 0 293.432 3.631 50 0 CHAARO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000095968229 185046297 /nfs/dbraw/zinc/04/62/97/185046297.db2.gz PVRGDFXUYUSKPU-GHMZBOCLSA-N 1 0 284.469 3.732 50 0 CHAARO C[C@H]([NH2+]CC1CCC1)c1ccc(-c2cncnc2)cc1 ZINC000095985829 185055430 /nfs/dbraw/zinc/05/54/30/185055430.db2.gz RZGSMLUQSYVKFN-ZDUSSCGKSA-N 1 0 267.376 3.594 50 0 CHAARO CCOCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000096979504 185145807 /nfs/dbraw/zinc/14/58/07/185145807.db2.gz OAAONTXSSSHNPW-GOSISDBHSA-N 1 0 269.388 3.711 50 0 CHAARO CCn1c(C)[n+](-c2ccccc2)c2ccc(Cl)cc21 ZINC000000289570 529460012 /nfs/dbraw/zinc/46/00/12/529460012.db2.gz FMFCBXDQAHUDTF-UHFFFAOYSA-N 1 0 271.771 3.900 50 0 CHAARO Fc1c(Br)cccc1C[NH2+]C1CCCC1 ZINC000085471723 179077230 /nfs/dbraw/zinc/07/72/30/179077230.db2.gz NOGCVTOHKLXGNX-UHFFFAOYSA-N 1 0 272.161 3.620 50 0 CHAARO CCCC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000085706651 179121791 /nfs/dbraw/zinc/12/17/91/179121791.db2.gz CGVLWJZXXXOGLC-UHFFFAOYSA-N 1 0 256.187 3.647 50 0 CHAARO CC(C)(C)[S@@](=O)CC[NH2+]Cc1cc2ccccc2s1 ZINC000089694431 179847860 /nfs/dbraw/zinc/84/78/60/179847860.db2.gz CDANTVKBPHSEGB-LJQANCHMSA-N 1 0 295.473 3.538 50 0 CHAARO CC[C@@H]([NH3+])C(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000129503331 187435479 /nfs/dbraw/zinc/43/54/79/187435479.db2.gz XCFJBCVSMVGXHZ-FZKQIMNGSA-N 1 0 296.414 3.629 50 0 CHAARO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)o1 ZINC000090727904 180032983 /nfs/dbraw/zinc/03/29/83/180032983.db2.gz QOPZJJRSBOSIGO-KOLCDFICSA-N 1 0 262.353 3.647 50 0 CHAARO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@@H](C)C3)o2)c1 ZINC000105679282 186067574 /nfs/dbraw/zinc/06/75/74/186067574.db2.gz CRUFHUTXHPBMPW-ZIAGYGMSSA-N 1 0 285.391 3.838 50 0 CHAARO CC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000106624463 186129212 /nfs/dbraw/zinc/12/92/12/186129212.db2.gz NDHSCGIHGZQIJT-VXGBXAGGSA-N 1 0 291.420 3.981 50 0 CHAARO Cc1ccc(C)c(C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000181346042 189294602 /nfs/dbraw/zinc/29/46/02/189294602.db2.gz KLYYIXXBPFCUND-UHFFFAOYSA-N 1 0 266.388 3.863 50 0 CHAARO C[C@@H]([C@H](O)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000000276791 169595374 /nfs/dbraw/zinc/59/53/74/169595374.db2.gz PFSKVIADTYAMME-KSSFIOAISA-N 1 0 269.388 3.748 50 0 CHAARO Cc1ccc(OCC[NH2+]C2CCCC2)c(Cl)c1 ZINC000002844261 260010242 /nfs/dbraw/zinc/01/02/42/260010242.db2.gz NGFAJAFERFVQCD-UHFFFAOYSA-N 1 0 253.773 3.559 50 0 CHAARO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CO)c2)c(C)c1 ZINC000095421977 184976544 /nfs/dbraw/zinc/97/65/44/184976544.db2.gz AMATZJLJULKYJR-OAHLLOKOSA-N 1 0 269.388 3.647 50 0 CHAARO CC(C)(C)c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000002497276 169795511 /nfs/dbraw/zinc/79/55/11/169795511.db2.gz MDTHCEKLWKWYKG-UHFFFAOYSA-N 1 0 261.409 3.849 50 0 CHAARO CC[C@@H](C)[NH2+]CCOCCOc1cccc(C(C)C)c1 ZINC000002822956 169834790 /nfs/dbraw/zinc/83/47/90/169834790.db2.gz ZATYJKIKMXKVMW-OAHLLOKOSA-N 1 0 279.424 3.594 50 0 CHAARO CC[C@@H](C)[NH2+]CCOCCOc1cc(C)c(Cl)c(C)c1 ZINC000002824161 169834855 /nfs/dbraw/zinc/83/48/55/169834855.db2.gz DXLYNCCYRVAILX-CQSZACIVSA-N 1 0 299.842 3.740 50 0 CHAARO CCCC[NH2+]CCOc1cc(C)c(Cl)c(C)c1 ZINC000002931751 169844694 /nfs/dbraw/zinc/84/46/94/169844694.db2.gz BQNQINCNONGABR-UHFFFAOYSA-N 1 0 255.789 3.725 50 0 CHAARO Clc1ccc(OCCC[NH+]2CCCC2)cc1Cl ZINC000003000513 169848567 /nfs/dbraw/zinc/84/85/67/169848567.db2.gz NIRXFWNBVKSCOD-UHFFFAOYSA-N 1 0 274.191 3.858 50 0 CHAARO CC(C)(C)[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000003003320 169849026 /nfs/dbraw/zinc/84/90/26/169849026.db2.gz NRILYOJWSSVZGB-UHFFFAOYSA-N 1 0 262.180 3.760 50 0 CHAARO C[n+]1c(/C=C\c2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000004578829 169985970 /nfs/dbraw/zinc/98/59/70/169985970.db2.gz GRMAEIFGYNRRLN-TWGQIWQCSA-N 1 0 290.342 3.563 50 0 CHAARO OCC[N@@H+]1CCC[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000004777645 170015493 /nfs/dbraw/zinc/01/54/93/170015493.db2.gz HIQQFDVZPBVYFL-RBUKOAKNSA-N 1 0 281.399 3.600 50 0 CHAARO CC[NH+](CC)C/C=C/C1(O)c2ccccc2-c2ccccc21 ZINC000004823263 170023801 /nfs/dbraw/zinc/02/38/01/170023801.db2.gz BTORNECOABSWPU-NTEUORMPSA-N 1 0 293.410 3.801 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccccc2)cc1Cl ZINC000004838640 170026923 /nfs/dbraw/zinc/02/69/23/170026923.db2.gz ANNMIRLECRIUBN-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO CC(C)(C)c1cccc(OCC[NH2+]Cc2ccco2)c1 ZINC000004841939 170028203 /nfs/dbraw/zinc/02/82/03/170028203.db2.gz YREBMRUZSJPSMK-UHFFFAOYSA-N 1 0 273.376 3.746 50 0 CHAARO Cc1cccc(C(C)(C)C)c1OCC[NH+]1CCCC1 ZINC000004845466 170029765 /nfs/dbraw/zinc/02/97/65/170029765.db2.gz RYKGKNLSWBIJOV-UHFFFAOYSA-N 1 0 261.409 3.767 50 0 CHAARO FC(F)(F)c1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000004978776 170048043 /nfs/dbraw/zinc/04/80/43/170048043.db2.gz SWBBGLKFCQPBMM-UHFFFAOYSA-N 1 0 287.325 3.960 50 0 CHAARO COc1ccc(CC[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000004989316 170049866 /nfs/dbraw/zinc/04/98/66/170049866.db2.gz VFISIZGLIAYTMM-MRXNPFEDSA-N 1 0 283.415 3.849 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000004989412 170049900 /nfs/dbraw/zinc/04/99/00/170049900.db2.gz OTGCLWDVGADXKV-ZDUSSCGKSA-N 1 0 273.351 3.555 50 0 CHAARO COc1ccccc1CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000004989428 170050211 /nfs/dbraw/zinc/05/02/11/170050211.db2.gz MZJVROWQWQSLFB-INIZCTEOSA-N 1 0 283.415 3.849 50 0 CHAARO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cn2cc(Cl)ccc2n1 ZINC000005072463 170064546 /nfs/dbraw/zinc/06/45/46/170064546.db2.gz GCTZSZZKSHJBJN-VXGBXAGGSA-N 1 0 277.799 3.751 50 0 CHAARO [NH3+]Cc1ccc(-c2ccc(Br)cc2)cc1 ZINC000005763414 170138491 /nfs/dbraw/zinc/13/84/91/170138491.db2.gz YHABDSDHNSJSSW-UHFFFAOYSA-N 1 0 262.150 3.575 50 0 CHAARO C[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000005910021 170153468 /nfs/dbraw/zinc/15/34/68/170153468.db2.gz YQCRJYIRLJWGIV-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO c1ccc(COc2ccc(C[NH2+]C[C@H]3CCCO3)cc2)cc1 ZINC000005999259 170166743 /nfs/dbraw/zinc/16/67/43/170166743.db2.gz IDLYQRWYDXBNSN-LJQANCHMSA-N 1 0 297.398 3.534 50 0 CHAARO CC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000006497332 170207022 /nfs/dbraw/zinc/20/70/22/170207022.db2.gz WAYRZMDCUNMASD-UHFFFAOYSA-N 1 0 289.350 3.523 50 0 CHAARO FC(F)(F)c1ccc(Cl)c(NC[C@@H]2CCC[NH2+]2)c1 ZINC000006658213 170223197 /nfs/dbraw/zinc/22/31/97/170223197.db2.gz RKXSUNILEHMVLP-VIFPVBQESA-N 1 0 278.705 3.523 50 0 CHAARO COc1ccc(CC[NH2+]Cc2ccc(C)cc2C)cc1 ZINC000006681740 170225816 /nfs/dbraw/zinc/22/58/16/170225816.db2.gz OCFWUFKUIQSWKP-UHFFFAOYSA-N 1 0 269.388 3.644 50 0 CHAARO Cc1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008700840 170346791 /nfs/dbraw/zinc/34/67/91/170346791.db2.gz GODGRUBVTDXABX-UHFFFAOYSA-N 1 0 284.403 3.933 50 0 CHAARO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COC1CCCCC1 ZINC000012384483 170483264 /nfs/dbraw/zinc/48/32/64/170483264.db2.gz BLNCMDHWGVNDTG-HNNXBMFYSA-N 1 0 297.483 3.740 50 0 CHAARO CC1=C(c2ccccc2)[N+](=O)C2(CCCCC2)N1O ZINC000012730009 170505629 /nfs/dbraw/zinc/50/56/29/170505629.db2.gz MLULEGDFEIGQFT-UHFFFAOYSA-N 1 0 259.329 3.519 50 0 CHAARO COCC[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000013945877 170610998 /nfs/dbraw/zinc/61/09/98/170610998.db2.gz OWNPQYPUEZJENF-UHFFFAOYSA-N 1 0 279.767 3.644 50 0 CHAARO CN(C)c1[nH+]c2ccccc2c(N)c1-c1ccccc1 ZINC000018149292 170743964 /nfs/dbraw/zinc/74/39/64/170743964.db2.gz ADYMNXMINPSVTR-UHFFFAOYSA-N 1 0 263.344 3.550 50 0 CHAARO [NH3+]CCCCSc1ccc(Cl)c(Cl)c1 ZINC000019686451 170840562 /nfs/dbraw/zinc/84/05/62/170840562.db2.gz QEYPSOSCGBDAKN-UHFFFAOYSA-N 1 0 250.194 3.824 50 0 CHAARO Cc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)s1 ZINC000020123162 171004435 /nfs/dbraw/zinc/00/44/35/171004435.db2.gz CVRHOUDUEACLQT-HNNXBMFYSA-N 1 0 290.432 3.576 50 0 CHAARO Brc1ccccc1C[NH2+]Cc1cccs1 ZINC000020139467 171025837 /nfs/dbraw/zinc/02/58/37/171025837.db2.gz DCVBXVLDASGLQG-UHFFFAOYSA-N 1 0 282.206 3.800 50 0 CHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2F)c1 ZINC000020187629 171052846 /nfs/dbraw/zinc/05/28/46/171052846.db2.gz OAUKGJJFUZMVFQ-GFCCVEGCSA-N 1 0 286.350 3.635 50 0 CHAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(F)c1 ZINC000020473388 171217316 /nfs/dbraw/zinc/21/73/16/171217316.db2.gz NRULFNMVFVYFOB-CYBMUJFWSA-N 1 0 273.351 3.642 50 0 CHAARO O[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000020509358 171229867 /nfs/dbraw/zinc/22/98/67/171229867.db2.gz WQSDSDPSYHICRT-HNNXBMFYSA-N 1 0 296.197 3.817 50 0 CHAARO O[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000020509360 171230157 /nfs/dbraw/zinc/23/01/57/171230157.db2.gz WQSDSDPSYHICRT-OAHLLOKOSA-N 1 0 296.197 3.817 50 0 CHAARO COC[C@H]1CC[N@H+](CC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000020599106 171266159 /nfs/dbraw/zinc/26/61/59/171266159.db2.gz CXIIXHMPRROUHH-AWEZNQCLSA-N 1 0 293.838 3.730 50 0 CHAARO C[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCCCC1 ZINC000020867784 171276746 /nfs/dbraw/zinc/27/67/46/171276746.db2.gz AZFHQJNYWSRGQN-UHFFFAOYSA-N 1 0 271.364 3.501 50 0 CHAARO Cc1[nH+]c2cc(NCc3cc4ccccc4[nH]3)ccc2n1C ZINC000022146482 171356611 /nfs/dbraw/zinc/35/66/11/171356611.db2.gz ZOHQZYUMYRAOEB-UHFFFAOYSA-N 1 0 290.370 3.975 50 0 CHAARO COc1ccc(C[NH2+][C@@H](C)c2cc(C)sc2C)cc1O ZINC000035252890 172082600 /nfs/dbraw/zinc/08/26/00/172082600.db2.gz KQEBAOWATCLIPU-NSHDSACASA-N 1 0 291.416 3.930 50 0 CHAARO [NH3+]CC1(c2cccc(Br)c2)CCCCC1 ZINC000036962348 172831432 /nfs/dbraw/zinc/83/14/32/172831432.db2.gz XXOVMSPGXGEKDA-UHFFFAOYSA-N 1 0 268.198 3.610 50 0 CHAARO O[C@@H](C[NH2+]Cc1ccccc1)c1ccc2ccccc2c1 ZINC000037873776 173817268 /nfs/dbraw/zinc/81/72/68/173817268.db2.gz CTNYAHYHHWIJAG-IBGZPJMESA-N 1 0 277.367 3.663 50 0 CHAARO Cc1ccc(C(C)C)cc1OCCC1CC[NH2+]CC1 ZINC000038053075 174064922 /nfs/dbraw/zinc/06/49/22/174064922.db2.gz QEIWFHONNOWPFR-UHFFFAOYSA-N 1 0 261.409 3.887 50 0 CHAARO COc1ccccc1-c1ccc(C[NH2+]C(C)C)cc1 ZINC000038070410 174081566 /nfs/dbraw/zinc/08/15/66/174081566.db2.gz UGVJJVCKMNWIBG-UHFFFAOYSA-N 1 0 255.361 3.860 50 0 CHAARO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000038095377 174108822 /nfs/dbraw/zinc/10/88/22/174108822.db2.gz STZUTWBLZGEWQO-BXUZGUMPSA-N 1 0 298.224 3.669 50 0 CHAARO c1ccc(CN[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000038295764 174138917 /nfs/dbraw/zinc/13/89/17/174138917.db2.gz SJBYIGXWWGSEES-WOJBJXKFSA-N 1 0 294.442 3.877 50 0 CHAARO Clc1ccc2nccc(SC3CC[NH2+]CC3)c2c1 ZINC000038980254 174160310 /nfs/dbraw/zinc/16/03/10/174160310.db2.gz AJAGHAMZNXBRAB-UHFFFAOYSA-N 1 0 278.808 3.732 50 0 CHAARO CC[NH+](CC)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000040005787 174182316 /nfs/dbraw/zinc/18/23/16/174182316.db2.gz WVOMMOCUXVLVPO-UHFFFAOYSA-N 1 0 264.756 3.837 50 0 CHAARO Cc1cccc(OCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000040161838 174196274 /nfs/dbraw/zinc/19/62/74/174196274.db2.gz UBYCYROMFMQQSQ-ZDUSSCGKSA-N 1 0 287.325 3.648 50 0 CHAARO C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000045734930 175382602 /nfs/dbraw/zinc/38/26/02/175382602.db2.gz BFZGBODCZCPXLE-GFCCVEGCSA-N 1 0 274.339 3.713 50 0 CHAARO CC[N@H+](Cc1c(C)noc1C)[C@H](C)c1cccc(OC)c1 ZINC000045806161 175384392 /nfs/dbraw/zinc/38/43/92/175384392.db2.gz VSPJCTZJRGJSNR-CYBMUJFWSA-N 1 0 288.391 3.883 50 0 CHAARO CC[C@H](C)[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000065504758 175745126 /nfs/dbraw/zinc/74/51/26/175745126.db2.gz RSFULAPJBJZFDW-ZDUSSCGKSA-N 1 0 270.376 3.557 50 0 CHAARO FC(F)(F)c1ccccc1CC[C@H]1CCC[NH2+]C1 ZINC000071750887 176259928 /nfs/dbraw/zinc/25/99/28/176259928.db2.gz BMFTZLDIFBTFMM-LLVKDONJSA-N 1 0 257.299 3.638 50 0 CHAARO CCOCC[N@@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000072126474 176320506 /nfs/dbraw/zinc/32/05/06/176320506.db2.gz XCYRXWBQYVMAEC-OAHLLOKOSA-N 1 0 297.389 3.646 50 0 CHAARO Oc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC000072133892 176321508 /nfs/dbraw/zinc/32/15/08/176321508.db2.gz PFFKKLQFQJFEQA-GOSISDBHSA-N 1 0 296.414 3.775 50 0 CHAARO Cc1ccc2ncccc2c1C[NH+]1CC(c2cccnc2)C1 ZINC000072145584 176325252 /nfs/dbraw/zinc/32/52/52/176325252.db2.gz JZUNONVSFOOYHZ-UHFFFAOYSA-N 1 0 289.382 3.538 50 0 CHAARO c1cn(CCCC[NH+]2CCCCCC2)c(-c2ccoc2)n1 ZINC000072149793 176326693 /nfs/dbraw/zinc/32/66/93/176326693.db2.gz ZPYDBQYXPDWXTC-UHFFFAOYSA-N 1 0 287.407 3.799 50 0 CHAARO CC[C@H]1CN(Cc2ccccc2SC)CC[N@@H+]1C(C)C ZINC000072156565 176328679 /nfs/dbraw/zinc/32/86/79/176328679.db2.gz HFJMLHHOZRHOSX-INIZCTEOSA-N 1 0 292.492 3.713 50 0 CHAARO c1ccc(-c2ccc(C[NH2+][C@@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000072274601 176356282 /nfs/dbraw/zinc/35/62/82/176356282.db2.gz AUYDXWFPZHBGFD-LJQANCHMSA-N 1 0 292.426 3.680 50 0 CHAARO C[N@H+](Cc1ccoc1)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072411246 176398234 /nfs/dbraw/zinc/39/82/34/176398234.db2.gz MHPCMDVYOITMQZ-UHFFFAOYSA-N 1 0 287.403 3.615 50 0 CHAARO COCCC[C@H]1CCC[N@H+](Cc2ccc(O)cc2Cl)C1 ZINC000077457480 177271411 /nfs/dbraw/zinc/27/14/11/177271411.db2.gz ADJIZBDKXVJCFT-CYBMUJFWSA-N 1 0 297.826 3.684 50 0 CHAARO c1ccc([C@H]2CCC[N@@H+](Cc3ccncc3)CC2)cc1 ZINC000078802060 177390303 /nfs/dbraw/zinc/39/03/03/177390303.db2.gz IKXXGMWCCBIECA-SFHVURJKSA-N 1 0 266.388 3.851 50 0 CHAARO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ccncc1 ZINC000037232069 260076366 /nfs/dbraw/zinc/07/63/66/260076366.db2.gz ZIDJWGDYIYFRNN-HNNXBMFYSA-N 1 0 268.404 3.928 50 0 CHAARO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000309882479 262045440 /nfs/dbraw/zinc/04/54/40/262045440.db2.gz KAEJVAARGKLQPM-CABCVRRESA-N 1 0 269.388 3.977 50 0 CHAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1cccc(F)c1 ZINC000023283186 262357034 /nfs/dbraw/zinc/35/70/34/262357034.db2.gz JXINFYKMYHWWLQ-AWEZNQCLSA-N 1 0 287.378 3.685 50 0 CHAARO C[NH+](C)CCO[C@@H](c1ccc(F)cc1)c1ccccc1F ZINC000252510311 328105951 /nfs/dbraw/zinc/10/59/51/328105951.db2.gz ZGSVAPHMVNXVJF-KRWDZBQOSA-N 1 0 291.341 3.632 50 0 CHAARO Fc1ccc(CC[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000019871919 326857351 /nfs/dbraw/zinc/85/73/51/326857351.db2.gz DXQVWMNDXMHOIX-UHFFFAOYSA-N 1 0 263.743 3.811 50 0 CHAARO C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H](O)c1ccccc1 ZINC000019871869 326857777 /nfs/dbraw/zinc/85/77/77/326857777.db2.gz KCYXVAXVDNWVJI-WBMJQRKESA-N 1 0 275.779 3.552 50 0 CHAARO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)Cc2ccncc2)c1 ZINC000097017215 533711043 /nfs/dbraw/zinc/71/10/43/533711043.db2.gz YYCYGAYKZMTBML-JKSUJKDBSA-N 1 0 268.404 3.980 50 0 CHAARO COc1ccc(CC[C@H](C)[NH2+]Cc2csc(C)n2)cc1 ZINC000041010555 523984192 /nfs/dbraw/zinc/98/41/92/523984192.db2.gz MWFUOCWZZCAKRS-LBPRGKRZSA-N 1 0 290.432 3.571 50 0 CHAARO FC1(F)CC([NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000292728418 526274109 /nfs/dbraw/zinc/27/41/09/526274109.db2.gz PUWCPPRDCLDBPM-UHFFFAOYSA-N 1 0 296.342 3.713 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@H](C)Cc1ccccc1F ZINC000032582167 567885809 /nfs/dbraw/zinc/88/58/09/567885809.db2.gz IJKDOEINWGCDQK-ZIAGYGMSSA-N 1 0 281.415 3.676 50 0 CHAARO CCOC(=O)N1CC[NH+](CC[C@H](C)CCC=C(C)C)CC1 ZINC000023280747 567887794 /nfs/dbraw/zinc/88/77/94/567887794.db2.gz OLYXTAGSWVAEJD-MRXNPFEDSA-N 1 0 296.455 3.533 50 0 CHAARO CC[C@H](C)c1ccccc1OCCCC[NH2+]CCOC ZINC000003000515 570278343 /nfs/dbraw/zinc/27/83/43/570278343.db2.gz LSEBDPGBFMPVPB-HNNXBMFYSA-N 1 0 279.424 3.595 50 0 CHAARO Cc1ccc(C[C@H](C)[NH2+][C@H](C)CCCC(C)(C)O)cc1 ZINC000019607288 570395913 /nfs/dbraw/zinc/39/59/13/570395913.db2.gz NCZBDISAGCYMDK-CVEARBPZSA-N 1 0 277.452 3.845 50 0 CHAARO Cc1ccc(C[N@H+](C)CCCc2cccnc2)s1 ZINC000299776642 566854250 /nfs/dbraw/zinc/85/42/50/566854250.db2.gz BLCBXMSVCGSCIQ-UHFFFAOYSA-N 1 0 260.406 3.516 50 0 CHAARO C[C@H](C[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1)CC(C)(C)C ZINC000004094040 566857639 /nfs/dbraw/zinc/85/76/39/566857639.db2.gz HFXRXQYPTWPANL-OWCLPIDISA-N 1 0 283.456 3.676 50 0 CHAARO CC(C)(C)c1cn2c(n1)[C@@H](C[NH2+]C1CCCC1)CCC2 ZINC000084284623 566881873 /nfs/dbraw/zinc/88/18/73/566881873.db2.gz OBDVTDDOBQLJTF-CYBMUJFWSA-N 1 0 275.440 3.590 50 0 CHAARO CC(C)[N@H+](Cc1ccc(Cl)cc1Cl)CC(C)(C)O ZINC000084597275 566884770 /nfs/dbraw/zinc/88/47/70/566884770.db2.gz SLPAVWJZEXMOFJ-UHFFFAOYSA-N 1 0 290.234 3.975 50 0 CHAARO CCc1cccc(CC)c1NC(=O)OCC[NH+](CC)CC ZINC000001590804 566912080 /nfs/dbraw/zinc/91/20/80/566912080.db2.gz HEZUHPQEDLUTBB-UHFFFAOYSA-N 1 0 292.423 3.702 50 0 CHAARO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000121363797 566932396 /nfs/dbraw/zinc/93/23/96/566932396.db2.gz BYABNNBBFHATSH-MRXNPFEDSA-N 1 0 295.430 3.710 50 0 CHAARO c1c[nH]c([C@@H]2CCCC[N@H+]2CCCc2ccccc2)n1 ZINC000075104896 566936341 /nfs/dbraw/zinc/93/63/41/566936341.db2.gz FVSHQMFWURZDDJ-INIZCTEOSA-N 1 0 269.392 3.570 50 0 CHAARO COc1ccc(C[NH+](C)C)c(Sc2cccc(O)c2)c1 ZINC000075373219 566943994 /nfs/dbraw/zinc/94/39/94/566943994.db2.gz UOTJCPKXENOSFE-UHFFFAOYSA-N 1 0 289.400 3.614 50 0 CHAARO Cc1nn(CN(C)C2CCCCCC2)c(=S)n1C1CC1 ZINC000012983572 566955372 /nfs/dbraw/zinc/95/53/72/566955372.db2.gz FTHWIBHDFBCRAR-UHFFFAOYSA-N 1 0 294.468 3.670 50 0 CHAARO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[NH3+] ZINC000245229299 566969008 /nfs/dbraw/zinc/96/90/08/566969008.db2.gz SXFQJBRXNODJBV-GVIBCLJVSA-N 1 0 289.463 3.637 50 0 biogenic CHAARO ClC1(Cl)C[C@H]1CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000521396163 566977118 /nfs/dbraw/zinc/97/71/18/566977118.db2.gz YJRWZUIZISCCAU-NEPJUHHUSA-N 1 0 288.222 3.521 50 0 CHAARO CCc1c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)cnn1C ZINC000426370445 566987785 /nfs/dbraw/zinc/98/77/85/566987785.db2.gz ZVILHYRSXJQJTR-CQSZACIVSA-N 1 0 283.419 3.806 50 0 CHAARO CCC[C@H](O)C[N@H+](CCC)Cc1ccc(C)cc1C ZINC000036100800 566994817 /nfs/dbraw/zinc/99/48/17/566994817.db2.gz ACLYAZUVGKIJPK-KRWDZBQOSA-N 1 0 263.425 3.676 50 0 CHAARO C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[NH3+] ZINC000006780219 566996723 /nfs/dbraw/zinc/99/67/23/566996723.db2.gz WDTAJXMIXADUTH-ZKDKXJPTSA-N 1 0 291.479 3.717 50 0 CHAARO CC(C)(CC1CCCCCC1)[NH2+]Cc1ccon1 ZINC000170086822 567006386 /nfs/dbraw/zinc/00/63/86/567006386.db2.gz BWBBKPADLJKHMV-UHFFFAOYSA-N 1 0 250.386 3.903 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](CC(C)C)c1cccs1 ZINC000065464969 567008391 /nfs/dbraw/zinc/00/83/91/567008391.db2.gz OKBGTLFXEGZDDT-CYBMUJFWSA-N 1 0 263.410 3.657 50 0 CHAARO COc1ccc([C@H]([NH2+]CC2CC2)c2ccccc2)cc1 ZINC000036961300 567009763 /nfs/dbraw/zinc/00/97/63/567009763.db2.gz JWZLBXNZCVKEAH-GOSISDBHSA-N 1 0 267.372 3.784 50 0 CHAARO CS[C@H]1CC[C@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000075920946 567025868 /nfs/dbraw/zinc/02/58/68/567025868.db2.gz NMNCZIMFJFKNIZ-RYUDHWBXSA-N 1 0 282.453 3.688 50 0 CHAARO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc2ccccc2c1 ZINC000089905139 567031332 /nfs/dbraw/zinc/03/13/32/567031332.db2.gz IJJCDVHNYZAXLG-CQSZACIVSA-N 1 0 267.372 3.837 50 0 CHAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000252489059 567057859 /nfs/dbraw/zinc/05/78/59/567057859.db2.gz JEDFGUIVWXBHLE-ZDUSSCGKSA-N 1 0 271.408 3.505 50 0 CHAARO Cc1c([C@H](C)[NH2+]Cc2ccc(C)c(Cl)c2)cnn1C ZINC000193733479 567062591 /nfs/dbraw/zinc/06/25/91/567062591.db2.gz LZDZNIFWKJWEKY-NSHDSACASA-N 1 0 277.799 3.541 50 0 CHAARO Cc1cc(-c2cncc(C[NH+]3CCCC3)c2)ccc1F ZINC000037554183 567068134 /nfs/dbraw/zinc/06/81/34/567068134.db2.gz GCTPVCXATWNWIJ-UHFFFAOYSA-N 1 0 270.351 3.792 50 0 CHAARO CC[C@H]([NH2+][C@H](C)c1ccc(C)s1)c1cnn(C)c1 ZINC000195540561 567069971 /nfs/dbraw/zinc/06/99/71/567069971.db2.gz BUAUKORTRXMEAI-YPMHNXCESA-N 1 0 263.410 3.592 50 0 CHAARO C[C@H](C[C@H]1OC[C@H](C[NH+]2CCCCC2)O1)CC(C)(C)C ZINC000004094041 567074242 /nfs/dbraw/zinc/07/42/42/567074242.db2.gz HFXRXQYPTWPANL-PMPSAXMXSA-N 1 0 283.456 3.676 50 0 CHAARO CC[NH2+]CC[C@@H](CCC(C)C)c1ccc2c(c1)OCO2 ZINC000002327274 567100385 /nfs/dbraw/zinc/10/03/85/567100385.db2.gz FZIPBALKOKMKJE-CQSZACIVSA-N 1 0 277.408 3.935 50 0 CHAARO CC(=O)Nc1ccccc1C[N@@H+](C[C@@H]1C[C@H]1C)C(C)C ZINC000093661792 567122322 /nfs/dbraw/zinc/12/23/22/567122322.db2.gz XXXLBZURADZAMR-CJNGLKHVSA-N 1 0 274.408 3.511 50 0 CHAARO CC(=O)Nc1ccccc1C[N@@H+](C[C@H]1C[C@@H]1C)C(C)C ZINC000093661791 567123308 /nfs/dbraw/zinc/12/33/08/567123308.db2.gz XXXLBZURADZAMR-XJKSGUPXSA-N 1 0 274.408 3.511 50 0 CHAARO CCC1CCC([NH2+]C[C@H](O)c2ccc(C)cc2)CC1 ZINC000095365098 567128940 /nfs/dbraw/zinc/12/89/40/567128940.db2.gz ORVLGQVEUDAFFX-PREGVCBESA-N 1 0 261.409 3.587 50 0 CHAARO Cc1csc([C@H]([NH2+][C@@H](C)CC2CC2)C2CC2)n1 ZINC000095423327 567130934 /nfs/dbraw/zinc/13/09/34/567130934.db2.gz MWANTBSXULGPNE-TVQRCGJNSA-N 1 0 250.411 3.681 50 0 CHAARO Cc1csc([C@@H]([NH2+][C@@H](C)CC2CC2)C2CC2)n1 ZINC000095423328 567131468 /nfs/dbraw/zinc/13/14/68/567131468.db2.gz MWANTBSXULGPNE-ZANVPECISA-N 1 0 250.411 3.681 50 0 CHAARO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3O)cn1 ZINC000095421941 567131559 /nfs/dbraw/zinc/13/15/59/567131559.db2.gz QMPXRMXNGQRQTC-WBMJQRKESA-N 1 0 285.391 3.508 50 0 CHAARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(SC(F)F)cc1 ZINC000095450954 567133283 /nfs/dbraw/zinc/13/32/83/567133283.db2.gz WEYIFIHHUHNDFE-GMXVVIOVSA-N 1 0 299.386 3.589 50 0 CHAARO CC(C)Cc1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000095453441 567134529 /nfs/dbraw/zinc/13/45/29/567134529.db2.gz NBXRYKCKCGIPRP-UHFFFAOYSA-N 1 0 268.404 3.912 50 0 CHAARO Cc1[nH+]c2ccccc2c(N2CCC[C@H](O)C2)c1C(C)C ZINC000096006345 567135832 /nfs/dbraw/zinc/13/58/32/567135832.db2.gz CZEGFLZZHLTUKH-AWEZNQCLSA-N 1 0 284.403 3.628 50 0 CHAARO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)o1 ZINC000095968423 567136589 /nfs/dbraw/zinc/13/65/89/567136589.db2.gz XOZDYDXWMSJQLP-HNNXBMFYSA-N 1 0 299.418 3.611 50 0 CHAARO CC[NH2+]CCCCC(O)(c1ccccc1)c1ccccc1 ZINC000096026680 567138920 /nfs/dbraw/zinc/13/89/20/567138920.db2.gz VULCWHZDDJEGLB-UHFFFAOYSA-N 1 0 283.415 3.702 50 0 CHAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000057370895 567155076 /nfs/dbraw/zinc/15/50/76/567155076.db2.gz WQHNVCSQYFWFJH-GFCCVEGCSA-N 1 0 288.778 3.629 50 0 CHAARO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000230129624 567158621 /nfs/dbraw/zinc/15/86/21/567158621.db2.gz BKAATQKPXWVGSZ-PKOBYXMFSA-N 1 0 299.414 3.723 50 0 CHAARO C[C@@H]1Cc2ccccc2[C@@H](CCc2ccccc2)[NH2+]1 ZINC000003208768 567161973 /nfs/dbraw/zinc/16/19/73/567161973.db2.gz GWHXMUJKGXTFTL-RDTXWAMCSA-N 1 0 251.373 3.895 50 0 biogenic CHAARO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000217907566 567179128 /nfs/dbraw/zinc/17/91/28/567179128.db2.gz NIXRWAKIVVHSPX-CABCVRRESA-N 1 0 296.455 3.745 50 0 CHAARO C[N@H+](CC[C@H]1CC1(F)F)Cc1ccc2ncccc2c1 ZINC000670448002 567180508 /nfs/dbraw/zinc/18/05/08/567180508.db2.gz PFJVCSHMLIOVFX-AWEZNQCLSA-N 1 0 276.330 3.712 50 0 CHAARO CCCO[P@](C)(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004026611 567185659 /nfs/dbraw/zinc/18/56/59/567185659.db2.gz IRSGFXOKDNHIQR-KSMMKXTCSA-N 1 0 289.356 3.517 50 0 biogenic CHAARO C[C@@H](c1ccc(-c2cnn3cccnc23)cc1)[NH+]1CCCC1 ZINC000067676928 567197881 /nfs/dbraw/zinc/19/78/81/567197881.db2.gz MPXSHSOIZGWURD-AWEZNQCLSA-N 1 0 292.386 3.553 50 0 CHAARO C[NH+](C)C[C@H]1CCOC1(c1ccccc1)c1ccccc1 ZINC000113266368 567212790 /nfs/dbraw/zinc/21/27/90/567212790.db2.gz BOTHKNZTGGXFEQ-GOSISDBHSA-N 1 0 281.399 3.528 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCCCCC1 ZINC000000038155 567816797 /nfs/dbraw/zinc/81/67/97/567816797.db2.gz UUELXDCWCIRMDP-UHFFFAOYSA-N 1 0 270.376 3.535 50 0 CHAARO CC(=O)O[C@@]1(c2ccccc2)C[C@H](C)C[N@@H+](C(C)(C)C)C1 ZINC000000062644 567817332 /nfs/dbraw/zinc/81/73/32/567817332.db2.gz CBBJQWWDAAESRN-KSSFIOAISA-N 1 0 289.419 3.585 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000000176528 567821809 /nfs/dbraw/zinc/82/18/09/567821809.db2.gz MHSVFLHMGULLSY-CHWSQXEVSA-N 1 0 294.826 3.647 50 0 CHAARO CC(C)(C)c1ccc(C(=O)OCC[NH+]2CCCCC2)cc1 ZINC000000210665 567822533 /nfs/dbraw/zinc/82/25/33/567822533.db2.gz BYQJGVNTEVSHNY-UHFFFAOYSA-N 1 0 289.419 3.627 50 0 CHAARO CCc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000241146 567822743 /nfs/dbraw/zinc/82/27/43/567822743.db2.gz VPKUDJDPTJBFAE-UHFFFAOYSA-N 1 0 298.405 3.710 50 0 CHAARO COc1ccc(Br)cc1C[NH+]1CCCCCC1 ZINC000000238989 567822893 /nfs/dbraw/zinc/82/28/93/567822893.db2.gz JQUASIYTBVCUPH-UHFFFAOYSA-N 1 0 298.224 3.834 50 0 CHAARO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCCCC1 ZINC000001038944 567835799 /nfs/dbraw/zinc/83/57/99/567835799.db2.gz AHUOQGOMERVRLA-AWEZNQCLSA-N 1 0 288.435 3.797 50 0 CHAARO O=C(c1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515045 567846187 /nfs/dbraw/zinc/84/61/87/567846187.db2.gz HOCNEXBKLDWEAJ-UHFFFAOYSA-N 1 0 265.356 3.513 50 0 CHAARO FC(c1ccccc1)(c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000002506627 567846212 /nfs/dbraw/zinc/84/62/12/567846212.db2.gz PGKMVPFJFKOUDA-MRXNPFEDSA-N 1 0 255.336 3.652 50 0 CHAARO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)CCCC(C)(C)O ZINC000002499333 567846329 /nfs/dbraw/zinc/84/63/29/567846329.db2.gz UXDWWQJZZSFTDA-JKSUJKDBSA-N 1 0 277.452 3.927 50 0 CHAARO O=C(c1ccccc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002514990 567846457 /nfs/dbraw/zinc/84/64/57/567846457.db2.gz UCSZPHGBCMWTDM-UHFFFAOYSA-N 1 0 279.383 3.904 50 0 CHAARO Cc1cccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000002515047 567846501 /nfs/dbraw/zinc/84/65/01/567846501.db2.gz GQSYNYJMCDVEOH-UHFFFAOYSA-N 1 0 279.383 3.822 50 0 CHAARO O=C(c1ccc(-c2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000002527198 567847875 /nfs/dbraw/zinc/84/78/75/567847875.db2.gz MEAYERISLPBAKL-UHFFFAOYSA-N 1 0 265.356 3.536 50 0 CHAARO Cc1[nH]c2ccc(Oc3ccccc3)cc2c1CC[NH3+] ZINC000002545440 567848192 /nfs/dbraw/zinc/84/81/92/567848192.db2.gz VQQXGDCRPGKAHP-UHFFFAOYSA-N 1 0 266.344 3.770 50 0 CHAARO Cc1ccc(CN2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000002734802 567849081 /nfs/dbraw/zinc/84/90/81/567849081.db2.gz MVSCFPZAXZUDED-UHFFFAOYSA-N 1 0 286.463 3.691 50 0 CHAARO CC[NH+](CC)CCCCCOc1ccccc1OC ZINC000002880290 567850206 /nfs/dbraw/zinc/85/02/06/567850206.db2.gz MBMSEFRHRZKQEO-UHFFFAOYSA-N 1 0 265.397 3.586 50 0 CHAARO CCOCCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000002923715 567850619 /nfs/dbraw/zinc/85/06/19/567850619.db2.gz WGJIHSTVZZDWQY-UHFFFAOYSA-N 1 0 262.180 3.510 50 0 CHAARO CCOc1ccc(OCCCC[NH+]2CCC(C)CC2)cc1 ZINC000003000934 567850967 /nfs/dbraw/zinc/85/09/67/567850967.db2.gz REJJHPZTJWAIBB-UHFFFAOYSA-N 1 0 291.435 3.976 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000003680930 567853543 /nfs/dbraw/zinc/85/35/43/567853543.db2.gz SLKXXSXUKFOWKK-ZIAGYGMSSA-N 1 0 281.415 3.676 50 0 CHAARO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CCCC(C)(C)O ZINC000003680929 567853765 /nfs/dbraw/zinc/85/37/65/567853765.db2.gz SLKXXSXUKFOWKK-UONOGXRCSA-N 1 0 281.415 3.676 50 0 CHAARO C[NH+](C)C(C)(C)Cc1c2c(cc3c1CCC3)CCC2 ZINC000004128886 567855294 /nfs/dbraw/zinc/85/52/94/567855294.db2.gz RDHLIAZBXSQLBP-UHFFFAOYSA-N 1 0 257.421 3.547 50 0 CHAARO CC[NH2+]Cc1ccc(OCc2cccs2)c(OCC)c1 ZINC000004206366 567855839 /nfs/dbraw/zinc/85/58/39/567855839.db2.gz NQKVBANGTFUXBO-UHFFFAOYSA-N 1 0 291.416 3.835 50 0 CHAARO COc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1OC ZINC000004240691 567856264 /nfs/dbraw/zinc/85/62/64/567856264.db2.gz VWNXQIVCUARDPH-ZDUSSCGKSA-N 1 0 271.360 3.555 50 0 CHAARO CCOc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000004488631 567857644 /nfs/dbraw/zinc/85/76/44/567857644.db2.gz HDVBXBQHKIFIPF-UHFFFAOYSA-N 1 0 294.398 3.899 50 0 CHAARO Cc1cc(C)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000007811702 567860724 /nfs/dbraw/zinc/86/07/24/567860724.db2.gz QJJDAZBOTWSGLG-OKILXGFUSA-N 1 0 288.435 3.528 50 0 CHAARO Cc1ccccc1CC[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000012316721 567862489 /nfs/dbraw/zinc/86/24/89/567862489.db2.gz QCKDVNJBNBPFOS-INIZCTEOSA-N 1 0 283.419 3.563 50 0 CHAARO CCC[N@@H+]1CCC[C@@H](C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000012507505 567863470 /nfs/dbraw/zinc/86/34/70/567863470.db2.gz WIFQZKFWPZEZCK-OAHLLOKOSA-N 1 0 289.419 3.617 50 0 CHAARO C[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000032666100 567864282 /nfs/dbraw/zinc/86/42/82/567864282.db2.gz LPEYZMKDCFQJKR-PXAZEXFGSA-N 1 0 254.377 3.719 50 0 CHAARO C[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000013468190 567866257 /nfs/dbraw/zinc/86/62/57/567866257.db2.gz FAHFBUDMUKEFDS-FDPIWHGQSA-N 1 0 281.399 3.802 50 0 CHAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1Br ZINC000042419222 567891602 /nfs/dbraw/zinc/89/16/02/567891602.db2.gz WDTWUBOMMXEIHP-GHMZBOCLSA-N 1 0 270.214 3.973 50 0 CHAARO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OC ZINC000013723727 567867334 /nfs/dbraw/zinc/86/73/34/567867334.db2.gz BAXHQNXNJOWUMQ-UHFFFAOYSA-N 1 0 275.392 3.684 50 0 CHAARO COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC ZINC000013723428 567867596 /nfs/dbraw/zinc/86/75/96/567867596.db2.gz MNPOINSLQYFSMJ-UHFFFAOYSA-N 1 0 275.392 3.684 50 0 CHAARO CCCCCCC(=O)OC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013815409 567867780 /nfs/dbraw/zinc/86/77/80/567867780.db2.gz PWWKJRFUJIFGGD-UHFFFAOYSA-N 1 0 269.429 3.809 50 0 in-vitro CHAARO Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000032819293 567869044 /nfs/dbraw/zinc/86/90/44/567869044.db2.gz OERLQSIVDHTJEI-GASCZTMLSA-N 1 0 297.446 3.967 50 0 CHAARO c1ccc(-c2ccc(COC3CC[NH2+]CC3)cc2)cc1 ZINC000014631887 567869566 /nfs/dbraw/zinc/86/95/66/567869566.db2.gz BTAWNEXMILNDCC-UHFFFAOYSA-N 1 0 267.372 3.622 50 0 CHAARO c1cn(C2CC[NH+](Cc3ccccn3)CC2)c2ccccc12 ZINC000019045860 567876953 /nfs/dbraw/zinc/87/69/53/567876953.db2.gz MGBMPPPTIOOZPR-UHFFFAOYSA-N 1 0 291.398 3.873 50 0 CHAARO Clc1ccccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000019789057 567879104 /nfs/dbraw/zinc/87/91/04/567879104.db2.gz NGKRWFPGCVYVKA-UHFFFAOYSA-N 1 0 292.854 3.790 50 0 CHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000019842481 567879257 /nfs/dbraw/zinc/87/92/57/567879257.db2.gz ZURHLWABVSCWRZ-CRAIPNDOSA-N 1 0 290.426 3.522 50 0 CHAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019900114 567879762 /nfs/dbraw/zinc/87/97/62/567879762.db2.gz ADQAWJJCVOTDOE-FGTMMUONSA-N 1 0 276.468 3.539 50 0 CHAARO Fc1ccc(Br)cc1C[NH2+]C1CCCC1 ZINC000019883310 567879834 /nfs/dbraw/zinc/87/98/34/567879834.db2.gz KDJWKPKFBNUJET-UHFFFAOYSA-N 1 0 272.161 3.620 50 0 CHAARO [NH3+][C@@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000019969411 567880607 /nfs/dbraw/zinc/88/06/07/567880607.db2.gz UDNDGNWVVJDOQI-CYBMUJFWSA-N 1 0 253.679 3.666 50 0 CHAARO OC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000000215284 567883824 /nfs/dbraw/zinc/88/38/24/567883824.db2.gz OBSMXOMTTVWPPX-KRWDZBQOSA-N 1 0 281.399 3.558 50 0 CHAARO Fc1ccccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004612716 567884256 /nfs/dbraw/zinc/88/42/56/567884256.db2.gz IJZSOVIRNVAJRZ-UHFFFAOYSA-N 1 0 284.378 3.902 50 0 CHAARO COc1ccc(C[C@@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000023283540 567884436 /nfs/dbraw/zinc/88/44/36/567884436.db2.gz WVYJFHFSAVTSMH-CQSZACIVSA-N 1 0 287.378 3.598 50 0 CHAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccs2)cc1 ZINC000030640849 567884684 /nfs/dbraw/zinc/88/46/84/567884684.db2.gz CPRYWINAEVIQTQ-GFCCVEGCSA-N 1 0 288.416 3.947 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@@H](C)Cc1ccccc1F ZINC000032582163 567885864 /nfs/dbraw/zinc/88/58/64/567885864.db2.gz IJKDOEINWGCDQK-KGLIPLIRSA-N 1 0 281.415 3.676 50 0 CHAARO COc1ccc(-c2cccc(C[NH3+])c2)c2ccc(C)nc12 ZINC000032603485 567886288 /nfs/dbraw/zinc/88/62/88/567886288.db2.gz VJSGJOHHIZXRND-UHFFFAOYSA-N 1 0 278.355 3.678 50 0 CHAARO CSc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000072304849 567886514 /nfs/dbraw/zinc/88/65/14/567886514.db2.gz BXKBOZVPCJEGNY-ZDUSSCGKSA-N 1 0 265.422 3.662 50 0 CHAARO CCCC[N@H+](C)Cc1cccc(Br)c1 ZINC000032917444 567886528 /nfs/dbraw/zinc/88/65/28/567886528.db2.gz CGNNNVNRCBGRLE-UHFFFAOYSA-N 1 0 256.187 3.681 50 0 CHAARO Fc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000000279832 567887506 /nfs/dbraw/zinc/88/75/06/567887506.db2.gz WUVQDFKBUGKFCX-UHFFFAOYSA-N 1 0 298.405 3.580 50 0 CHAARO C[C@H](C[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000000757444 567887884 /nfs/dbraw/zinc/88/78/84/567887884.db2.gz CPVJFTNVBNYKLO-MRXNPFEDSA-N 1 0 298.405 3.751 50 0 CHAARO c1ccc2cc(OCCCCC[NH+]3CCOCC3)ccc2c1 ZINC000023115437 567888217 /nfs/dbraw/zinc/88/82/17/567888217.db2.gz PFPYIHROXRBBCP-UHFFFAOYSA-N 1 0 299.414 3.721 50 0 CHAARO Cc1ccc(Cl)c(OCCCC[NH2+]C[C@H]2CCCO2)c1 ZINC000006478578 567888297 /nfs/dbraw/zinc/88/82/97/567888297.db2.gz KJQVVJHBTKKLJS-CQSZACIVSA-N 1 0 297.826 3.576 50 0 CHAARO CCCC[NH2+]CCOCCOc1c(C)cc(Cl)cc1C ZINC000002981012 567888430 /nfs/dbraw/zinc/88/84/30/567888430.db2.gz SZZDFNHPJPFCAE-UHFFFAOYSA-N 1 0 299.842 3.742 50 0 CHAARO COc1ccc(OCCCCC[NH+]2CCCCC2)cc1 ZINC000002880413 567888448 /nfs/dbraw/zinc/88/84/48/567888448.db2.gz PPZNFWBRPMBUHS-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 CHAARO c1coc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000023471735 567888663 /nfs/dbraw/zinc/88/86/63/567888663.db2.gz BIZSEHPFITVFIS-MSOLQXFVSA-N 1 0 288.435 3.509 50 0 CHAARO C[C@@H]([NH3+])c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000041059201 567890834 /nfs/dbraw/zinc/89/08/34/567890834.db2.gz IPXBGNZEHFYRHY-ZCFIWIBFSA-N 1 0 256.733 3.622 50 0 CHAARO CC(C)c1cc(Br)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042774624 567891523 /nfs/dbraw/zinc/89/15/23/567891523.db2.gz VPJVHCDVELAAPN-LBPRGKRZSA-N 1 0 298.224 3.703 50 0 CHAARO CC(C)c1cc(Cl)ccc1OC1CC[NH2+]CC1 ZINC000042775174 567892055 /nfs/dbraw/zinc/89/20/55/567892055.db2.gz RUBTVDJRMGMCQW-UHFFFAOYSA-N 1 0 253.773 3.594 50 0 CHAARO CC[C@@H](C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775036 567892102 /nfs/dbraw/zinc/89/21/02/567892102.db2.gz RDXNLUDUYXGEEU-DGCLKSJQSA-N 1 0 267.800 3.984 50 0 CHAARO c1cc([C@@H]2CCC[N@H+]2CCc2ccncc2)cs1 ZINC000058434795 567895958 /nfs/dbraw/zinc/89/59/58/567895958.db2.gz ZFMFLTZFHMQSCM-HNNXBMFYSA-N 1 0 258.390 3.523 50 0 CHAARO C/C=C(\C)c1c(-c2ccccc2)ncn1[C@H]1CCC[NH2+]C1 ZINC000065396832 567898927 /nfs/dbraw/zinc/89/89/27/567898927.db2.gz GWSKBECKVIAKOT-TYMUOXQOSA-N 1 0 281.403 3.898 50 0 CHAARO c1csc(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000065462020 567899283 /nfs/dbraw/zinc/89/92/83/567899283.db2.gz IRUICLHVLNLCGG-UHFFFAOYSA-N 1 0 258.390 3.523 50 0 CHAARO CC[C@H](C)[NH2+]Cc1cccnc1N(C)Cc1ccccc1 ZINC000067642422 567900123 /nfs/dbraw/zinc/90/01/23/567900123.db2.gz LIYHYXPWDJLJHT-HNNXBMFYSA-N 1 0 283.419 3.606 50 0 CHAARO C[C@@H](c1cccc(-c2ccc3[nH]cnc3c2)c1)[NH+](C)C ZINC000067955012 567900889 /nfs/dbraw/zinc/90/08/89/567900889.db2.gz RYEVMGRASAMQJR-LBPRGKRZSA-N 1 0 265.360 3.853 50 0 CHAARO CC(C)c1oc([C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000068576846 567901238 /nfs/dbraw/zinc/90/12/38/567901238.db2.gz ZJIIRBDGXAVPMC-CYBMUJFWSA-N 1 0 256.349 3.890 50 0 CHAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(O)c1 ZINC000004678669 567901494 /nfs/dbraw/zinc/90/14/94/567901494.db2.gz CHFCBMMIUCNEFK-UHFFFAOYSA-N 1 0 297.333 3.544 50 0 CHAARO Cc1ccc(SCC[N@@H+](C)Cc2ccc(F)cc2)nc1 ZINC000097139645 567904890 /nfs/dbraw/zinc/90/48/90/567904890.db2.gz HHSMMXIFPCJLDW-UHFFFAOYSA-N 1 0 290.407 3.753 50 0 CHAARO COc1cccc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000096150222 567909664 /nfs/dbraw/zinc/90/96/64/567909664.db2.gz UFOLEBXSTYEDEU-AWEZNQCLSA-N 1 0 282.387 3.914 50 0 CHAARO C[C@H](c1ccc(-c2n[nH]c(C3CCCC3)n2)cc1)[NH+](C)C ZINC000096151449 567909867 /nfs/dbraw/zinc/90/98/67/567909867.db2.gz LLIRQLJXMZRWTH-GFCCVEGCSA-N 1 0 284.407 3.752 50 0 CHAARO Cc1ccc(F)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1F ZINC000097522055 567910505 /nfs/dbraw/zinc/91/05/05/567910505.db2.gz DDNHHSCQGJLKGU-UHFFFAOYSA-N 1 0 295.373 3.666 50 0 CHAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@H]2CCO)o1 ZINC000097642378 567910979 /nfs/dbraw/zinc/91/09/79/567910979.db2.gz XQIFXMWCTCWJKT-INIZCTEOSA-N 1 0 285.387 3.602 50 0 CHAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(Cn3ccnc3)CC1)=CC2 ZINC000097610081 567911009 /nfs/dbraw/zinc/91/10/09/567911009.db2.gz PQLKCFUVNPCOFO-ROUUACIJSA-N 1 0 299.462 3.588 50 0 CHAARO [NH3+]Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC000104415093 567917006 /nfs/dbraw/zinc/91/70/06/567917006.db2.gz GRWLSDLGODCXPL-UHFFFAOYSA-N 1 0 269.678 3.869 50 0 CHAARO C[C@@H]1C[C@]2(C[C@H](C)[N@@H+](C)C[C@H]2C)Nc2ccccc21 ZINC000101112153 567937117 /nfs/dbraw/zinc/93/71/17/567937117.db2.gz DSXWYDFCIRWJDM-VWPFQQQWSA-N 1 0 258.409 3.705 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)cc1OC ZINC000004021996 567938184 /nfs/dbraw/zinc/93/81/84/567938184.db2.gz DBBKYSFKMHTXAC-YCPHGPKFSA-N 1 0 291.435 3.803 50 0 CHAARO Fc1cccc(Cl)c1CSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000014196649 567942589 /nfs/dbraw/zinc/94/25/89/567942589.db2.gz UTXOXQSLOVHAGX-STQMWFEESA-N 1 0 298.814 3.983 50 0 CHAARO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000062838958 567944338 /nfs/dbraw/zinc/94/43/38/567944338.db2.gz JYCSABBOWQBSAU-ZDUSSCGKSA-N 1 0 297.512 3.507 50 0 CHAARO C[C@@H](C[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019849846 567944727 /nfs/dbraw/zinc/94/47/27/567944727.db2.gz RIIITVMIXRZTNP-SFHVURJKSA-N 1 0 294.442 3.608 50 0 CHAARO Clc1cnccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191636343 567944897 /nfs/dbraw/zinc/94/48/97/567944897.db2.gz HDTKMPPMKOSYTI-UHFFFAOYSA-N 1 0 287.794 3.510 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000019908955 567945037 /nfs/dbraw/zinc/94/50/37/567945037.db2.gz NHIUKCJAMTZFSC-LRDDRELGSA-N 1 0 271.360 3.701 50 0 CHAARO c1ccc(CN2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000020088935 567945326 /nfs/dbraw/zinc/94/53/26/567945326.db2.gz JRENNQJESVDKSH-QGZVFWFLSA-N 1 0 284.447 3.597 50 0 CHAARO c1cc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cs1 ZINC000020096476 567945376 /nfs/dbraw/zinc/94/53/76/567945376.db2.gz YZWYXQPSHLRYFH-QGZVFWFLSA-N 1 0 286.444 3.675 50 0 CHAARO CCCC[C@@H](CC)C[N@@H+]1CCc2[nH]nc(C3CC3)c2C1 ZINC000048488343 567946569 /nfs/dbraw/zinc/94/65/69/567946569.db2.gz AGWVLOOTXYONRL-CYBMUJFWSA-N 1 0 275.440 3.862 50 0 CHAARO c1nc(C2CCCCC2)ncc1C[NH+]1CCCCCC1 ZINC000223039842 567949244 /nfs/dbraw/zinc/94/92/44/567949244.db2.gz XHVQAQKIAJWADG-UHFFFAOYSA-N 1 0 273.424 3.900 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000225479973 567953628 /nfs/dbraw/zinc/95/36/28/567953628.db2.gz MUNOEHIQUHMUQD-QGZVFWFLSA-N 1 0 269.392 3.584 50 0 CHAARO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC000225621906 567954198 /nfs/dbraw/zinc/95/41/98/567954198.db2.gz OTSZKCCKRPYESI-LRDDRELGSA-N 1 0 290.432 3.626 50 0 CHAARO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC000225621935 567954443 /nfs/dbraw/zinc/95/44/43/567954443.db2.gz OTSZKCCKRPYESI-MLGOLLRUSA-N 1 0 290.432 3.626 50 0 CHAARO CC[N@H+](C)C[C@@H]1CC[NH+](CCCC2CCCCC2)C1 ZINC000225639051 567954481 /nfs/dbraw/zinc/95/44/81/567954481.db2.gz JGLSBAVMNQIFKS-KRWDZBQOSA-N 1 0 266.473 3.621 50 0 CHAARO C[NH+](C)C(C)(C)/C=C/C(O)(c1ccccc1)c1ccccc1 ZINC000001901897 570214487 /nfs/dbraw/zinc/21/44/87/570214487.db2.gz HBWSJIDIFKREEZ-FOCLMDBBSA-N 1 0 295.426 3.819 50 0 CHAARO COc1ccc([C@@H](C[NH3+])c2c(C)[nH]c3ccccc32)cc1 ZINC000011919585 570221126 /nfs/dbraw/zinc/22/11/26/570221126.db2.gz WZKWOYOXPOFXOL-MRXNPFEDSA-N 1 0 280.371 3.576 50 0 CHAARO CC[NH+](CC)CCNc1nc2ccc(Cl)cc2s1 ZINC000026423987 570231931 /nfs/dbraw/zinc/23/19/31/570231931.db2.gz YZXVQIDQLMNKPA-UHFFFAOYSA-N 1 0 283.828 3.703 50 0 CHAARO C[C@@H](NC(C)(C)c1ccc(F)cc1Cl)c1cnccn1 ZINC000097037761 570251118 /nfs/dbraw/zinc/25/11/18/570251118.db2.gz LGAZZBSLTPLOEX-SNVBAGLBSA-N 1 0 293.773 3.855 50 0 CHAARO [NH3+]C[C@H](c1c[nH]c2ccc(F)cc21)c1ccc(F)cc1 ZINC000091690207 570255444 /nfs/dbraw/zinc/25/54/44/570255444.db2.gz BFAVJEXIORIFMT-AWEZNQCLSA-N 1 0 272.298 3.537 50 0 CHAARO COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000252479139 570270263 /nfs/dbraw/zinc/27/02/63/570270263.db2.gz AZVYELUDMWHIMG-WHOFXGATSA-N 1 0 281.827 3.989 50 0 CHAARO C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Br)ccc2C1 ZINC000146590201 570274257 /nfs/dbraw/zinc/27/42/57/570274257.db2.gz LTNYAOGNSQCGDM-IAQYHMDHSA-N 1 0 294.236 3.791 50 0 CHAARO COc1ccccc1[C@H](CC[NH3+])c1ccc(OC(C)C)cc1 ZINC000004029778 570292833 /nfs/dbraw/zinc/29/28/33/570292833.db2.gz PMQPGWCCKNSQFC-QGZVFWFLSA-N 1 0 299.414 3.963 50 0 biogenic CHAARO Cc1ccccc1[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000048234282 570296530 /nfs/dbraw/zinc/29/65/30/570296530.db2.gz KUFATXDEUFOYPC-GOSISDBHSA-N 1 0 266.388 3.770 50 0 CHAARO CC(C)c1nc(CN2CCCC[C@H]2c2cccnc2)co1 ZINC000215160201 570302392 /nfs/dbraw/zinc/30/23/92/570302392.db2.gz NZWSXICDASRFQJ-INIZCTEOSA-N 1 0 285.391 3.920 50 0 CHAARO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c2ncccc12 ZINC000215304089 570302794 /nfs/dbraw/zinc/30/27/94/570302794.db2.gz ZASZNJHLLQPCPH-INIZCTEOSA-N 1 0 284.403 3.544 50 0 CHAARO Cc1cnccc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000244778672 570320738 /nfs/dbraw/zinc/32/07/38/570320738.db2.gz PUNINRDAXJMOLZ-UHFFFAOYSA-N 1 0 266.388 3.770 50 0 CHAARO C[C@H]([NH2+]Cc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003896871 570328751 /nfs/dbraw/zinc/32/87/51/570328751.db2.gz GLJRNCZYMLAOAN-UYIIGHAYSA-N 1 0 297.442 3.950 50 0 CHAARO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)c1cccc(O)c1 ZINC000161983418 570355898 /nfs/dbraw/zinc/35/58/98/570355898.db2.gz IRAGEOZDKPKOSZ-JTQLQIEISA-N 1 0 263.287 3.521 50 0 CHAARO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cccs1 ZINC000037089767 570362593 /nfs/dbraw/zinc/36/25/93/570362593.db2.gz QNXXGCIJGSGOJK-JTQLQIEISA-N 1 0 265.353 3.747 50 0 CHAARO CC(C)[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000240551651 570372390 /nfs/dbraw/zinc/37/23/90/570372390.db2.gz GVDOJAIWRYDSMD-LESCRADOSA-N 1 0 272.436 3.599 50 0 CHAARO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1cccc2ccccc21 ZINC000215375460 570380681 /nfs/dbraw/zinc/38/06/81/570380681.db2.gz PVWXIUFHZKUKLO-BVGQSLNGSA-N 1 0 268.404 3.760 50 0 CHAARO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1c(C)noc1C ZINC000079073989 570396464 /nfs/dbraw/zinc/39/64/64/570396464.db2.gz KGKSYBMVFVJRBR-INIZCTEOSA-N 1 0 299.418 3.522 50 0 CHAARO CC1CCC([C@@H]([NH3+])C2(O)CCCCCCC2)CC1 ZINC000958528517 614424900 /nfs/dbraw/zinc/42/49/00/614424900.db2.gz PLXDMCULDUSWFA-YMAMQOFZSA-N 1 0 253.430 3.615 50 0 CHAARO CC[N@H+](Cc1cccc(-c2ccco2)c1)[C@H](C)CCO ZINC000952968039 615068002 /nfs/dbraw/zinc/06/80/02/615068002.db2.gz NRCWVAMDIRXQJR-CQSZACIVSA-N 1 0 273.376 3.539 50 0 CHAARO Cc1ccc([C@H](C)CCN(C)Cc2csc(C)n2)o1 ZINC000215067387 1125425489 /nfs/dbraw/zinc/42/54/89/1125425489.db2.gz OALXCTMFFHGALP-LLVKDONJSA-N 1 0 278.421 3.979 50 0 CHAARO C[C@@H]1CCC[C@@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000252540203 1128393132 /nfs/dbraw/zinc/39/31/32/1128393132.db2.gz OZLFOINJYVINDS-VYDXJSESSA-N 1 0 298.434 3.700 50 0 CHAARO Clc1ccc(OCCCCC[NH+]2CCCC2)cc1 ZINC000002494164 1118572946 /nfs/dbraw/zinc/57/29/46/1118572946.db2.gz WRFHNWLEAOFJIR-UHFFFAOYSA-N 1 0 267.800 3.985 50 0 CHAARO CCCC[NH2+]CCOCCOc1cccc(C(C)C)c1 ZINC000002981006 1119236068 /nfs/dbraw/zinc/23/60/68/1119236068.db2.gz GJSNFIVZUBEBIU-UHFFFAOYSA-N 1 0 279.424 3.595 50 0 CHAARO CC[NH2+]CCC1(c2ccc(OC)c(OC)c2)CCCC1 ZINC000003155192 1119662643 /nfs/dbraw/zinc/66/26/43/1119662643.db2.gz BAAYUBJMVUEANU-UHFFFAOYSA-N 1 0 277.408 3.515 50 0 CHAARO CC(C)(C)c1ccc(OCCCCCC[NH2+]CCO)cc1 ZINC000023634225 1119996441 /nfs/dbraw/zinc/99/64/41/1119996441.db2.gz UBONWBSRYHCVLN-UHFFFAOYSA-N 1 0 293.451 3.505 50 0 CHAARO Cc1ccc([C@H]([NH2+]C[C@H]2CCCCO2)C2CC2)cc1 ZINC000051099995 1120168252 /nfs/dbraw/zinc/16/82/52/1120168252.db2.gz GBZAHSJSEPBFNM-SJORKVTESA-N 1 0 259.393 3.605 50 0 CHAARO c1cncc([C@H]2CCCC[N@H+]2C[C@H]2CC=CCC2)c1 ZINC000004008085 1120289558 /nfs/dbraw/zinc/28/95/58/1120289558.db2.gz CIBSHJVEIGZLPS-DOTOQJQBSA-N 1 0 256.393 3.965 50 0 CHAARO CC[N@@H+]1CCOc2ccc(C3=CCCCC3)cc2C1 ZINC000012279071 1120516871 /nfs/dbraw/zinc/51/68/71/1120516871.db2.gz OQTFBGACRBGLHG-UHFFFAOYSA-N 1 0 257.377 3.858 50 0 CHAARO Cc1ncoc1C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000585136844 1120534036 /nfs/dbraw/zinc/53/40/36/1120534036.db2.gz VNZSVWSMOJPZAJ-UHFFFAOYSA-N 1 0 293.370 3.754 50 0 CHAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000004982745 1120938098 /nfs/dbraw/zinc/93/80/98/1120938098.db2.gz DQVHMLVFTJQPBH-SFHVURJKSA-N 1 0 282.387 3.817 50 0 CHAARO CC[NH+](CC)[C@H](CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000057288258 1120958844 /nfs/dbraw/zinc/95/88/44/1120958844.db2.gz PAXYFQMVAISZQO-MRXNPFEDSA-N 1 0 290.451 3.622 50 0 CHAARO CC[C@H](C)C[N@H+]1Cc2cc(OC)ccc2O[C@H](CC)C1 ZINC000014955872 1120976508 /nfs/dbraw/zinc/97/65/08/1120976508.db2.gz JHLFCHDHYLMVMS-DZGCQCFKSA-N 1 0 277.408 3.714 50 0 CHAARO C[C@@H]1CCC[C@H](CC[NH2+][C@@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000225594317 1121203308 /nfs/dbraw/zinc/20/33/08/1121203308.db2.gz OZLFOINJYVINDS-BFYDXBDKSA-N 1 0 298.434 3.700 50 0 CHAARO C[Si](C)(C)C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1N ZINC000685965962 1121623081 /nfs/dbraw/zinc/62/30/81/1121623081.db2.gz CPYLMAUPYBSKIC-IRXDYDNUSA-N 1 0 290.527 3.636 50 0 CHAARO CCCCn1c[n+](CCc2ccccc2)c2ccccc21 ZINC000252489979 1121653097 /nfs/dbraw/zinc/65/30/97/1121653097.db2.gz KGPFXFLGDIVZNG-UHFFFAOYSA-N 1 0 279.407 3.972 50 0 CHAARO CSC1(C[NH2+]C/C(C)=C/c2ccccc2)CCOCC1 ZINC000174564301 1123541998 /nfs/dbraw/zinc/54/19/98/1123541998.db2.gz VLCRDNBDWSUULZ-NTCAYCPXSA-N 1 0 291.460 3.592 50 0 CHAARO c1cnc2cccc(C[N@@H+]3CCC[C@@]4(CCCO4)CC3)c2c1 ZINC000216036645 1125427005 /nfs/dbraw/zinc/42/70/05/1125427005.db2.gz ULLUOIMQTCDCGW-LJQANCHMSA-N 1 0 296.414 3.770 50 0 CHAARO C[C@H](CCc1ccc(O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000000227340 1129738130 /nfs/dbraw/zinc/73/81/30/1129738130.db2.gz YUFAIZYZYYQMKL-OAHLLOKOSA-N 1 0 281.399 3.772 50 0 CHAARO CCCC[N@H+](CCCCO)CCCCc1cccs1 ZINC000019789717 1129846694 /nfs/dbraw/zinc/84/66/94/1129846694.db2.gz BRKDQTHTUCZKBG-UHFFFAOYSA-N 1 0 283.481 3.945 50 0 CHAARO CC[C@H](C)C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055369750 1130267110 /nfs/dbraw/zinc/26/71/10/1130267110.db2.gz CYJHGFCNUZLSOO-AWEZNQCLSA-N 1 0 290.455 3.619 50 0 CHAARO C[C@H]([NH2+]Cc1cnc(-c2ccco2)nc1)C1=CCCCC1 ZINC000952966447 1132016679 /nfs/dbraw/zinc/01/66/79/1132016679.db2.gz TZUCGKPXNUMJFF-ZDUSSCGKSA-N 1 0 283.375 3.715 50 0 CHAARO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)Cc2ccncc2)c1 ZINC000097017216 230386428 /nfs/dbraw/zinc/38/64/28/230386428.db2.gz YYCYGAYKZMTBML-HOTGVXAUSA-N 1 0 268.404 3.980 50 0 CHAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1cccc(F)c1 ZINC000003904966 230367860 /nfs/dbraw/zinc/36/78/60/230367860.db2.gz UBNHRPVZGCZIMM-HZSPNIEDSA-N 1 0 293.382 3.634 50 0 CHAARO FC(F)(F)c1cccc([C@@H]([NH2+]C[C@@H]2CCOC2)C2CC2)c1 ZINC000408513769 230402673 /nfs/dbraw/zinc/40/26/73/230402673.db2.gz CCMDVFWPCJJSLL-NHYWBVRUSA-N 1 0 299.336 3.783 50 0 CHAARO CC[N@@H+]1CC=C(c2ccccc2)[C@H](C(=O)OC2CCCC2)C1 ZINC000095918272 185030876 /nfs/dbraw/zinc/03/08/76/185030876.db2.gz AGFUTASWCUDNBN-GOSISDBHSA-N 1 0 299.414 3.508 50 0 CHAARO Cc1cccc(-n2ccnc2SC[C@@H](C)[NH+](C)C)c1C ZINC000095941653 185036102 /nfs/dbraw/zinc/03/61/02/185036102.db2.gz SWVCJOVIMTZETG-CYBMUJFWSA-N 1 0 289.448 3.531 50 0 CHAARO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000095968227 185046520 /nfs/dbraw/zinc/04/65/20/185046520.db2.gz PVRGDFXUYUSKPU-MNOVXSKESA-N 1 0 284.469 3.732 50 0 CHAARO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000095968126 185047013 /nfs/dbraw/zinc/04/70/13/185047013.db2.gz AJWXTGBRHMKPDP-ADLMAVQZSA-N 1 0 287.856 3.538 50 0 CHAARO Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000095969257 185048186 /nfs/dbraw/zinc/04/81/86/185048186.db2.gz NBHVALBJZYFCFB-FZMZJTMJSA-N 1 0 281.469 3.627 50 0 CHAARO CC(C)[C@@H]1C[C@@H](C[N@H+](C)Cc2ccccc2)CCO1 ZINC000095995475 185060277 /nfs/dbraw/zinc/06/02/77/185060277.db2.gz PNOBLPFZYWHWHJ-IRXDYDNUSA-N 1 0 261.409 3.570 50 0 CHAARO Cc1[nH+]c2ccccc2c(NCC(=O)NC(C)C)c1C(C)C ZINC000096006352 185062657 /nfs/dbraw/zinc/06/26/57/185062657.db2.gz SDGXSMUAUXWGEI-UHFFFAOYSA-N 1 0 299.418 3.603 50 0 CHAARO Clc1cccc(Cc2cnc([C@H]3CCCC[NH2+]3)o2)c1 ZINC000096032185 185067140 /nfs/dbraw/zinc/06/71/40/185067140.db2.gz LJSQCUJIFSBJLP-CQSZACIVSA-N 1 0 276.767 3.733 50 0 CHAARO C[C@@H](c1ccc(-c2cccc(-n3cnnc3)c2)cc1)[NH+](C)C ZINC000096133166 185104969 /nfs/dbraw/zinc/10/49/69/185104969.db2.gz PGVDAIGQNZEBDL-AWEZNQCLSA-N 1 0 292.386 3.557 50 0 CHAARO Cc1nn(C(C)C)cc1-c1ccc(C[NH+](C)C)cc1 ZINC000096139360 185105509 /nfs/dbraw/zinc/10/55/09/185105509.db2.gz QAHJRENNKAMVMF-UHFFFAOYSA-N 1 0 257.381 3.501 50 0 CHAARO CCc1ncc(C[N@@H+](C)[C@@H](CC)c2ccccc2)cn1 ZINC000220571802 529752610 /nfs/dbraw/zinc/75/26/10/529752610.db2.gz JGFNKQDGCDVKSX-INIZCTEOSA-N 1 0 269.392 3.622 50 0 CHAARO COc1cccc([C@@H]2[NH2+]CC[C@H]2c2ccccc2)c1 ZINC000084238172 178830423 /nfs/dbraw/zinc/83/04/23/178830423.db2.gz IJEGNJDSCQSXES-IRXDYDNUSA-N 1 0 253.345 3.513 50 0 CHAARO COC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000127495628 187310365 /nfs/dbraw/zinc/31/03/65/187310365.db2.gz DCLWKIWDAOWICU-SRVKXCTJSA-N 1 0 291.313 3.678 50 0 CHAARO CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C(C)(C)C)C[C@@H]1C ZINC000107171803 186161834 /nfs/dbraw/zinc/16/18/34/186161834.db2.gz RJPQYHOYVZTHMX-KSSFIOAISA-N 1 0 289.419 3.585 50 0 CHAARO Fc1cccc(N2CC3(CC[NH2+]CC3)[C@H]2c2ccccc2)c1 ZINC000169676562 188661686 /nfs/dbraw/zinc/66/16/86/188661686.db2.gz FRMUQPNPCLLYOT-GOSISDBHSA-N 1 0 296.389 3.757 50 0 CHAARO C[C@@H]([NH2+]Cc1ccnc(OCC2CC2)c1)c1ccsc1 ZINC000178040734 189087594 /nfs/dbraw/zinc/08/75/94/189087594.db2.gz MNBGITLPMFUUCE-GFCCVEGCSA-N 1 0 288.416 3.783 50 0 CHAARO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(CO)cc2)c1 ZINC000183106087 189346932 /nfs/dbraw/zinc/34/69/32/189346932.db2.gz RLYNKEQUNZVVJA-HNNXBMFYSA-N 1 0 269.388 3.647 50 0 CHAARO ClC1(Cl)C[C@@H]1CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000521396165 256854116 /nfs/dbraw/zinc/85/41/16/256854116.db2.gz YJRWZUIZISCCAU-RYUDHWBXSA-N 1 0 288.222 3.521 50 0 CHAARO Cc1c(-c2cccc([C@@H](C)[NH+](C)C)c2)cnn1C(F)F ZINC000096163024 256885852 /nfs/dbraw/zinc/88/58/52/256885852.db2.gz FILIEDMTBFLJOO-SNVBAGLBSA-N 1 0 279.334 3.876 50 0 CHAARO CC[C@@H](c1ccc(OC)cc1)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000001595242 169721671 /nfs/dbraw/zinc/72/16/71/169721671.db2.gz ISFKIIUDJLSBCL-ZWKOTPCHSA-N 1 0 285.387 3.897 50 0 CHAARO C[C@@H]([NH2+]Cc1ccoc1)c1cc(Br)cs1 ZINC000193988796 533464055 /nfs/dbraw/zinc/46/40/55/533464055.db2.gz TYGBMZUBLFSTBK-MRVPVSSYSA-N 1 0 286.194 3.954 50 0 CHAARO Clc1ccc(CSC2=[NH+]CCCN2)cc1Cl ZINC000003266984 169874155 /nfs/dbraw/zinc/87/41/55/169874155.db2.gz YEXGPVYRWHMHIG-UHFFFAOYSA-N 1 0 275.204 3.576 50 0 CHAARO COC[C@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000004700154 170001457 /nfs/dbraw/zinc/00/14/57/170001457.db2.gz OKLVOSIUWRAEJX-AWEZNQCLSA-N 1 0 271.360 3.603 50 0 CHAARO CC[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCCCC1 ZINC000004810618 170021571 /nfs/dbraw/zinc/02/15/71/170021571.db2.gz ZVNQJIHRXXYSCG-UHFFFAOYSA-N 1 0 285.391 3.891 50 0 CHAARO CCCOc1ccccc1OCCC[NH+]1CCCCC1 ZINC000004841001 170027584 /nfs/dbraw/zinc/02/75/84/170027584.db2.gz AZSYURYCUCADFS-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 CHAARO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000004841975 170028179 /nfs/dbraw/zinc/02/81/79/170028179.db2.gz KWENVTVPQWFNAU-UHFFFAOYSA-N 1 0 275.779 3.947 50 0 CHAARO Cc1cc(C(C)(C)C)ccc1OCC[NH+]1CCCC1 ZINC000004845178 170029740 /nfs/dbraw/zinc/02/97/40/170029740.db2.gz UXGQGAYTSOWVHY-UHFFFAOYSA-N 1 0 261.409 3.767 50 0 CHAARO CC(C)Oc1ccccc1C[NH2+]Cc1ccccc1 ZINC000004856149 170030862 /nfs/dbraw/zinc/03/08/62/170030862.db2.gz UUTSDKMGDVFOHK-UHFFFAOYSA-N 1 0 255.361 3.764 50 0 CHAARO CCCCOc1ccc(C[NH2+]C2CCCC2)cc1OC ZINC000004858085 170031387 /nfs/dbraw/zinc/03/13/87/170031387.db2.gz CPROKBJOFLGSPG-UHFFFAOYSA-N 1 0 277.408 3.906 50 0 CHAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@H+]1CCCC[C@H]1C ZINC000004871568 170034923 /nfs/dbraw/zinc/03/49/23/170034923.db2.gz QJTXDDLFTGPNNU-CYBMUJFWSA-N 1 0 284.403 3.842 50 0 CHAARO CC(C)n1c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000004910976 170040797 /nfs/dbraw/zinc/04/07/97/170040797.db2.gz YGGJSYJJIKVMCK-UHFFFAOYSA-N 1 0 271.408 3.993 50 0 CHAARO COc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1Cl ZINC000004942958 170043582 /nfs/dbraw/zinc/04/35/82/170043582.db2.gz PNECKVWZNNCNMG-UHFFFAOYSA-N 1 0 277.751 3.861 50 0 CHAARO Brc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000004977745 170048154 /nfs/dbraw/zinc/04/81/54/170048154.db2.gz GAWAKTWTCWDBEU-UHFFFAOYSA-N 1 0 268.198 3.825 50 0 CHAARO C/C=C/c1ccc(OCC[NH+]2CCCCCC2)c(OC)c1 ZINC000004978709 170048160 /nfs/dbraw/zinc/04/81/60/170048160.db2.gz FKJXTXILJMZTJD-FPYGCLRLSA-N 1 0 289.419 3.983 50 0 CHAARO C[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000004989423 170050213 /nfs/dbraw/zinc/05/02/13/170050213.db2.gz DDTFZLQLMMIXHG-APWZRJJASA-N 1 0 286.463 3.819 50 0 CHAARO c1ccc2cc(OCC[NH+]3CCCCC3)ccc2c1 ZINC000004989871 170050249 /nfs/dbraw/zinc/05/02/49/170050249.db2.gz LQYBHIRHEDYYDW-UHFFFAOYSA-N 1 0 255.361 3.705 50 0 CHAARO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000004989534 170050296 /nfs/dbraw/zinc/05/02/96/170050296.db2.gz RBOBTSNPUDJFPQ-APWZRJJASA-N 1 0 286.463 3.819 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(C)cc1 ZINC000005683798 170128486 /nfs/dbraw/zinc/12/84/86/170128486.db2.gz PCVORMWCOXVSHT-SFHVURJKSA-N 1 0 292.382 3.720 50 0 CHAARO O=C(/C=C/c1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005772384 170139062 /nfs/dbraw/zinc/13/90/62/170139062.db2.gz ZSWODZQPBXFMTI-JWSDNSILSA-N 1 0 299.414 3.508 50 0 CHAARO c1ccc(Cn2c(C[NH+]3CCCC3)nc3ccccc32)cc1 ZINC000006110514 170176550 /nfs/dbraw/zinc/17/65/50/170176550.db2.gz BKFIBMYNIKHYPV-UHFFFAOYSA-N 1 0 291.398 3.680 50 0 CHAARO CCOc1cccc(C[NH2+]Cc2ccc(C)cc2)c1 ZINC000006697728 170226877 /nfs/dbraw/zinc/22/68/77/170226877.db2.gz NCJSCUUYDKERFB-UHFFFAOYSA-N 1 0 255.361 3.684 50 0 CHAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2cccnc2)o1 ZINC000006697210 170227093 /nfs/dbraw/zinc/22/70/93/170227093.db2.gz ASWGTCQCMXIUPL-UHFFFAOYSA-N 1 0 282.318 3.771 50 0 CHAARO C[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000006747631 170239884 /nfs/dbraw/zinc/23/98/84/170239884.db2.gz GUIUIKPNLROQRG-UHFFFAOYSA-N 1 0 280.165 3.737 50 0 CHAARO CCC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000007262318 170274417 /nfs/dbraw/zinc/27/44/17/170274417.db2.gz UWWYUAJHUUFDRN-UHFFFAOYSA-N 1 0 271.788 3.637 50 0 CHAARO Clc1ccc(SCC[C@H]2CCCC[NH2+]2)cc1 ZINC000008039536 170315681 /nfs/dbraw/zinc/31/56/81/170315681.db2.gz MCRKDDZFRNKWBG-GFCCVEGCSA-N 1 0 255.814 3.964 50 0 CHAARO CC(C)OCCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000008235692 170326287 /nfs/dbraw/zinc/32/62/87/170326287.db2.gz ZTOJDLRZWXPLMU-UHFFFAOYSA-N 1 0 290.432 3.715 50 0 CHAARO CSc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000008496868 170338201 /nfs/dbraw/zinc/33/82/01/170338201.db2.gz BURUYGRWDWMVGZ-UHFFFAOYSA-N 1 0 261.365 3.837 50 0 CHAARO Cc1ccc(C)c(OCCCC[NH2+]Cc2ccco2)c1 ZINC000008749820 170354473 /nfs/dbraw/zinc/35/44/73/170354473.db2.gz NICWMLGRJZQHJM-UHFFFAOYSA-N 1 0 273.376 3.845 50 0 CHAARO C[C@@H](C[NH2+]C[C@@H]1CCCO1)Oc1ccc(C(C)(C)C)cc1 ZINC000019737905 170850837 /nfs/dbraw/zinc/85/08/37/170850837.db2.gz SEYDLTAVGGJHPD-YOEHRIQHSA-N 1 0 291.435 3.520 50 0 CHAARO c1ccc(CCCN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019900088 170911941 /nfs/dbraw/zinc/91/19/41/170911941.db2.gz PIUGLYAIASQPLN-HXUWFJFHSA-N 1 0 298.474 3.593 50 0 CHAARO CCCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019906959 170919334 /nfs/dbraw/zinc/91/93/34/170919334.db2.gz GQXYGILLOMRNCI-JTQLQIEISA-N 1 0 256.187 3.900 50 0 CHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccsc2)c1 ZINC000020187524 171051901 /nfs/dbraw/zinc/05/19/01/171051901.db2.gz BCYBOTKXVAJPCF-LLVKDONJSA-N 1 0 274.389 3.557 50 0 CHAARO CC(C)(C)c1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000020221534 171082985 /nfs/dbraw/zinc/08/29/85/171082985.db2.gz FXOZRFFMAOFUBY-CQSZACIVSA-N 1 0 261.409 3.895 50 0 CHAARO CC[C@@H](C)c1ccccc1OCCC1CC[NH2+]CC1 ZINC000020593608 171262981 /nfs/dbraw/zinc/26/29/81/171262981.db2.gz XKXRNICQAWFHIY-CQSZACIVSA-N 1 0 261.409 3.969 50 0 CHAARO c1[nH]c2ccccc2c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000020757826 171271545 /nfs/dbraw/zinc/27/15/45/171271545.db2.gz ZWNGOYWZUZEHQG-GOSISDBHSA-N 1 0 287.366 3.884 50 0 biogenic CHAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000020781368 171272474 /nfs/dbraw/zinc/27/24/74/171272474.db2.gz IMUZFWJHEOFWSL-SFHVURJKSA-N 1 0 297.446 3.969 50 0 CHAARO C1=CC2(CC[NH+](CCc3cccnc3)CC2)c2ccccc21 ZINC000020910637 171279184 /nfs/dbraw/zinc/27/91/84/171279184.db2.gz NNPYPIZDVKXDHG-UHFFFAOYSA-N 1 0 290.410 3.685 50 0 CHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000021720452 171320778 /nfs/dbraw/zinc/32/07/78/171320778.db2.gz SMDUSVFLRABPSM-HNNXBMFYSA-N 1 0 274.339 3.768 50 0 CHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2C)no1 ZINC000021719764 171321092 /nfs/dbraw/zinc/32/10/92/171321092.db2.gz BXRVVPVIYROSMZ-KRWDZBQOSA-N 1 0 270.376 3.937 50 0 CHAARO CCCCCn1c2ccccc2nc1C[NH+]1CCCC1 ZINC000021785131 171322648 /nfs/dbraw/zinc/32/26/48/171322648.db2.gz AUYVHLBXIQXASC-UHFFFAOYSA-N 1 0 271.408 3.822 50 0 CHAARO CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000037762131 173689321 /nfs/dbraw/zinc/68/93/21/173689321.db2.gz GMWHHVFUOYFQOD-MRXNPFEDSA-N 1 0 258.340 3.618 50 0 CHAARO OC[C@H]1CCCC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000040081920 174187550 /nfs/dbraw/zinc/18/75/50/174187550.db2.gz UPMYEADFCAYWPC-LLVKDONJSA-N 1 0 295.835 3.902 50 0 CHAARO COc1cccc(C[N@H+](C)Cc2ccc(C)cc2)c1OC ZINC000040161694 174196398 /nfs/dbraw/zinc/19/63/98/174196398.db2.gz HMXDPJLNNUYSKY-UHFFFAOYSA-N 1 0 285.387 3.644 50 0 CHAARO Oc1ccc(CC[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000040735189 174389225 /nfs/dbraw/zinc/38/92/25/174389225.db2.gz XEWOPIGJQTVFRY-IBGZPJMESA-N 1 0 281.399 3.992 50 0 CHAARO CC[C@H](C)c1ccc(O[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774608 174873076 /nfs/dbraw/zinc/87/30/76/174873076.db2.gz RLHMZIYAIYDVCU-CMPLNLGQSA-N 1 0 298.224 3.703 50 0 CHAARO CC[C@@H](C)c1cc(Cl)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042775433 174873554 /nfs/dbraw/zinc/87/35/54/174873554.db2.gz URZNKYWYDYHNAF-ZYHUDNBSSA-N 1 0 253.773 3.594 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000044871235 175268581 /nfs/dbraw/zinc/26/85/81/175268581.db2.gz BJLCPHUITFRCGN-ZDUSSCGKSA-N 1 0 262.378 3.690 50 0 CHAARO C[C@H]1CCC[N@H+](CCNc2cccc3ccccc32)C1 ZINC000071771281 176262408 /nfs/dbraw/zinc/26/24/08/176262408.db2.gz QMQSUAWODIMSAN-HNNXBMFYSA-N 1 0 268.404 3.984 50 0 CHAARO Fc1cccc(F)c1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072150138 176326560 /nfs/dbraw/zinc/32/65/60/176326560.db2.gz AHTIEDDNYDYTIG-SWLSCSKDSA-N 1 0 281.346 3.608 50 0 CHAARO Cc1ccc([C@@H](C)CC[NH+]2CC(c3ccccn3)C2)o1 ZINC000072169156 176332167 /nfs/dbraw/zinc/33/21/67/176332167.db2.gz LPZOEIHITLVMOB-ZDUSSCGKSA-N 1 0 270.376 3.576 50 0 CHAARO c1ccc(-c2ccc(C[NH2+][C@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000072274602 176356026 /nfs/dbraw/zinc/35/60/26/176356026.db2.gz AUYDXWFPZHBGFD-IBGZPJMESA-N 1 0 292.426 3.680 50 0 CHAARO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2cccnc2)c1C ZINC000072274487 176356047 /nfs/dbraw/zinc/35/60/47/176356047.db2.gz XJRIWPNIXQUFBL-UHFFFAOYSA-N 1 0 279.387 3.778 50 0 CHAARO Cc1cccc(Cl)c1OCCC[NH2+]Cc1ccco1 ZINC000075273469 176680576 /nfs/dbraw/zinc/68/05/76/176680576.db2.gz ROEKUFBDFHXTMT-UHFFFAOYSA-N 1 0 279.767 3.800 50 0 CHAARO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)s1 ZINC000077357385 177256888 /nfs/dbraw/zinc/25/68/88/177256888.db2.gz ZLJPRACDCYSZAQ-HNNXBMFYSA-N 1 0 289.448 3.698 50 0 CHAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)cc1O ZINC000078553788 177353934 /nfs/dbraw/zinc/35/39/34/177353934.db2.gz YVFRZIVDPQVFBE-MLGOLLRUSA-N 1 0 283.371 3.739 50 0 CHAARO C[C@H](c1ccc(-c2ccccc2C(N)=O)cc1)[NH+]1CCCC1 ZINC000534636358 328333639 /nfs/dbraw/zinc/33/36/39/328333639.db2.gz DFNYLMIIYAYKPZ-CQSZACIVSA-N 1 0 294.398 3.609 50 0 CHAARO C[C@H](c1ccc(-c2nccs2)cc1)[NH+]1CCCC1 ZINC000534653807 328338541 /nfs/dbraw/zinc/33/85/41/328338541.db2.gz VUIGWDXOJMFNSY-GFCCVEGCSA-N 1 0 258.390 3.967 50 0 CHAARO Cc1nccn1CC[C@@H](C)[NH2+]C1(c2cccc(C)c2)CC1 ZINC000534666111 328345390 /nfs/dbraw/zinc/34/53/90/328345390.db2.gz NAURZYWVCNXMMK-OAHLLOKOSA-N 1 0 283.419 3.557 50 0 CHAARO C[C@H]([NH2+]Cc1ccncc1)C12CC3CC(CC(C3)C1)C2 ZINC000004959764 326813512 /nfs/dbraw/zinc/81/35/12/326813512.db2.gz DTFSRLNARQAVEK-FCCIYARUSA-N 1 0 270.420 3.776 50 0 CHAARO C[C@@H]([NH2+]Cc1ccncc1)C12CC3CC(CC(C3)C1)C2 ZINC000004959765 326813513 /nfs/dbraw/zinc/81/35/13/326813513.db2.gz DTFSRLNARQAVEK-MZHSRFCDSA-N 1 0 270.420 3.776 50 0 CHAARO C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[NH3+] ZINC000253499714 329963419 /nfs/dbraw/zinc/96/34/19/329963419.db2.gz SXFQJBRXNODJBV-FKMNWLKXSA-N 1 0 289.463 3.637 50 0 biogenic CHAARO CCOc1ccccc1C[NH2+]CCc1ccccc1F ZINC000019871749 521503062 /nfs/dbraw/zinc/50/30/62/521503062.db2.gz BYFQJAKLUKGCKX-UHFFFAOYSA-N 1 0 273.351 3.557 50 0 CHAARO Cc1ccc(Oc2ncccc2C[NH2+]C2CCCCC2)cn1 ZINC000012304212 525479069 /nfs/dbraw/zinc/47/90/69/525479069.db2.gz WEXIBNCRRMVNOI-UHFFFAOYSA-N 1 0 297.402 4.000 50 0 CHAARO Cc1cc(OCC[C@@H]2CCC[NH2+]C2)cc(C)c1Cl ZINC000042772956 567891774 /nfs/dbraw/zinc/89/17/74/567891774.db2.gz VXDXFCFJOMHODC-ZDUSSCGKSA-N 1 0 267.800 3.725 50 0 CHAARO CSCCC[N@H+](C)[C@H](C)c1nc(C)sc1C ZINC000215542519 567947194 /nfs/dbraw/zinc/94/71/94/567947194.db2.gz WJQLSVRBOKTMDD-SECBINFHSA-N 1 0 258.456 3.506 50 0 CHAARO CC(=O)c1sccc1-c1ccc(C[NH+](C)C)cc1 ZINC000426640603 566823321 /nfs/dbraw/zinc/82/33/21/566823321.db2.gz ZDDFYAJTFKWSME-UHFFFAOYSA-N 1 0 259.374 3.679 50 0 CHAARO CC(C)(C)c1cn2c(n1)[C@H](C[NH2+]C1CCCC1)CCC2 ZINC000084284619 566883331 /nfs/dbraw/zinc/88/33/31/566883331.db2.gz OBDVTDDOBQLJTF-ZDUSSCGKSA-N 1 0 275.440 3.590 50 0 CHAARO COc1cccc2c(C)cc(SCCC[NH+](C)C)nc12 ZINC000011907481 566892654 /nfs/dbraw/zinc/89/26/54/566892654.db2.gz PZNFOMLITQGRIZ-UHFFFAOYSA-N 1 0 290.432 3.596 50 0 CHAARO FC(F)(F)c1ccc(C2(C[NH2+]C3CCOCC3)CC2)cc1 ZINC000186508083 566930150 /nfs/dbraw/zinc/93/01/50/566930150.db2.gz QKEFJSYGUPIONC-UHFFFAOYSA-N 1 0 299.336 3.506 50 0 CHAARO C[N@H+](CCn1cc(-c2ccccc2)cn1)Cc1ccccc1 ZINC000075105647 566935507 /nfs/dbraw/zinc/93/55/07/566935507.db2.gz SBLXZHRZXBRVLI-UHFFFAOYSA-N 1 0 291.398 3.682 50 0 CHAARO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)[nH]n1 ZINC000090532036 566952686 /nfs/dbraw/zinc/95/26/86/566952686.db2.gz KEFRMYALNWOVLA-AAEUAGOBSA-N 1 0 283.375 3.746 50 0 CHAARO Cc1csc(N2CCC([NH2+]CCC3=CCCC3)CC2)n1 ZINC000090798386 566957814 /nfs/dbraw/zinc/95/78/14/566957814.db2.gz HMDXMSLVTPYJIH-UHFFFAOYSA-N 1 0 291.464 3.510 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[N@@H+](C)C(C)(C)CO)o1 ZINC000092507879 566970253 /nfs/dbraw/zinc/97/02/53/566970253.db2.gz LKFJVOXYVKGDDQ-UHFFFAOYSA-N 1 0 291.366 3.597 50 0 CHAARO CC(C)c1ccccc1-c1ccc(C(=O)NC[C@H](C)[NH3+])cc1 ZINC000426423768 566987833 /nfs/dbraw/zinc/98/78/33/566987833.db2.gz STKVWUQIBZFKHV-AWEZNQCLSA-N 1 0 296.414 3.554 50 0 CHAARO CCc1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)n[nH]1 ZINC000426623195 566991323 /nfs/dbraw/zinc/99/13/23/566991323.db2.gz IVVFLKIISGGJOF-CYBMUJFWSA-N 1 0 284.407 3.581 50 0 CHAARO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C ZINC000036104442 566995125 /nfs/dbraw/zinc/99/51/25/566995125.db2.gz OZRXTOJMDPWTGY-IBGZPJMESA-N 1 0 283.415 3.768 50 0 CHAARO c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000036325101 566997074 /nfs/dbraw/zinc/99/70/74/566997074.db2.gz KSTOMGILILMATR-CQSZACIVSA-N 1 0 299.395 3.742 50 0 CHAARO Cc1ccnc([C@H]([NH2+]C2Cc3ccccc3C2)C2CC2)c1 ZINC000065373017 567005975 /nfs/dbraw/zinc/00/59/75/567005975.db2.gz YBEJMGHHHIKWPR-LJQANCHMSA-N 1 0 278.399 3.598 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000065479308 567007466 /nfs/dbraw/zinc/00/74/66/567007466.db2.gz QANRNMUWCPZKAL-HFBAOOFYSA-N 1 0 270.376 3.573 50 0 CHAARO COc1ccc(C[NH2+]Cc2c(C)noc2C)c2ccccc12 ZINC000065490188 567007479 /nfs/dbraw/zinc/00/74/79/567007479.db2.gz NXCHSQFMYNMLIV-UHFFFAOYSA-N 1 0 296.370 3.743 50 0 CHAARO CCn1cc(CC[NH2+][C@@H](c2ccccc2)C(C)(C)C)cn1 ZINC000170607473 567013898 /nfs/dbraw/zinc/01/38/98/567013898.db2.gz GNNYLUSWHCUXRA-KRWDZBQOSA-N 1 0 285.435 3.823 50 0 CHAARO C[C@@H]1CC[C@H](C[NH2+]C2(c3ccc(F)cc3F)CCCC2)O1 ZINC000170608591 567014262 /nfs/dbraw/zinc/01/42/62/567014262.db2.gz PVOVHZVENKVSNS-TZMCWYRMSA-N 1 0 295.373 3.891 50 0 CHAARO c1ccc2c(c1)[nH+]c1c(c2NCc2cccnc2)CCC1 ZINC000000122797 567034633 /nfs/dbraw/zinc/03/46/33/567034633.db2.gz KGKSYNMCYWYGFF-UHFFFAOYSA-N 1 0 275.355 3.731 50 0 CHAARO Cc1c([C@H](C)[NH2+]Cc2ccc(F)cc2)cnn1C(C)C ZINC000252536338 567064229 /nfs/dbraw/zinc/06/42/29/567064229.db2.gz IEWDEEFLTPHGQJ-LBPRGKRZSA-N 1 0 275.371 3.762 50 0 CHAARO CCc1ccc2oc(=O)cc(C[N@@H+]3CCCC[C@@H]3C)c2c1 ZINC000002352817 567103248 /nfs/dbraw/zinc/10/32/48/567103248.db2.gz CJDJHMYQTVCDAS-ZDUSSCGKSA-N 1 0 285.387 3.730 50 0 biogenic CHAARO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013057155 567115963 /nfs/dbraw/zinc/11/59/63/567115963.db2.gz ZWQGFTLKHGUTAB-TXEJJXNPSA-N 1 0 294.826 3.565 50 0 CHAARO COCC[C@@H]([NH2+]Cc1cccs1)c1ccc(F)cc1 ZINC000095419356 567130686 /nfs/dbraw/zinc/13/06/86/567130686.db2.gz VRBAOFCXJTZLIS-OAHLLOKOSA-N 1 0 279.380 3.755 50 0 CHAARO C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000097221271 567142410 /nfs/dbraw/zinc/14/24/10/567142410.db2.gz VZULWJPENBNBLQ-HNNXBMFYSA-N 1 0 267.372 3.574 50 0 CHAARO Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCSCC1 ZINC000097038964 567142474 /nfs/dbraw/zinc/14/24/74/567142474.db2.gz VQSVPQSMOXILDJ-CQSZACIVSA-N 1 0 281.396 3.525 50 0 CHAARO C[C@H]1Cc2ccccc2[C@H](CCc2ccccc2)[NH2+]1 ZINC000003208769 567163668 /nfs/dbraw/zinc/16/36/68/567163668.db2.gz GWHXMUJKGXTFTL-KSSFIOAISA-N 1 0 251.373 3.895 50 0 biogenic CHAARO COc1ccc([C@@H]([NH2+]Cc2cccnc2)C(C)C)cc1 ZINC000032102289 567187495 /nfs/dbraw/zinc/18/74/95/567187495.db2.gz CMZRPAFWHBYWIY-KRWDZBQOSA-N 1 0 270.376 3.577 50 0 CHAARO FC(F)(F)c1ccc2sc([C@H]3CCC[NH2+]3)nc2c1 ZINC000004219234 567192552 /nfs/dbraw/zinc/19/25/52/567192552.db2.gz PCNZBAFICKOFAW-MRVPVSSYSA-N 1 0 272.295 3.740 50 0 CHAARO Clc1ccc(C[NH+]2CCC(Cn3ccnc3)CC2)s1 ZINC000670468378 567194644 /nfs/dbraw/zinc/19/46/44/567194644.db2.gz AABHLMOBHYFRDX-UHFFFAOYSA-N 1 0 295.839 3.510 50 0 CHAARO Cc1cc(C)c(C[NH2+]C2CCCCCC2)c(C)c1CO ZINC000032518010 567195521 /nfs/dbraw/zinc/19/55/21/567195521.db2.gz MFMPADQLHDQSPL-UHFFFAOYSA-N 1 0 275.436 3.917 50 0 CHAARO c1ccc2sc(SCC[NH+]3CCCCC3)nc2c1 ZINC000000175194 567821336 /nfs/dbraw/zinc/82/13/36/567821336.db2.gz YMQOWFMDGBSSAX-UHFFFAOYSA-N 1 0 278.446 3.874 50 0 CHAARO COc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1OC ZINC000000228071 567822325 /nfs/dbraw/zinc/82/23/25/567822325.db2.gz BVXPLFANJOANFL-KRWDZBQOSA-N 1 0 297.398 3.871 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000000280034 567823536 /nfs/dbraw/zinc/82/35/36/567823536.db2.gz ZMHMHLQVGOVBPL-IAGOWNOFSA-N 1 0 286.463 3.629 50 0 CHAARO C[NH+](C)CCO[C@@H]1c2ccccc2CSc2ccccc21 ZINC000000332420 567825660 /nfs/dbraw/zinc/82/56/60/567825660.db2.gz ILKVRKZECSOYMM-GOSISDBHSA-N 1 0 299.439 3.960 50 0 CHAARO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC000000897002 567834961 /nfs/dbraw/zinc/83/49/61/567834961.db2.gz ZKMNUMMKYBVTFN-HNNXBMFYSA-N 1 0 274.408 3.506 50 0 fda CHAARO CC[NH+](CC)CCCNc1cccc2ccccc21 ZINC000002516008 567846717 /nfs/dbraw/zinc/84/67/17/567846717.db2.gz ZREHLHBTUAUWAB-UHFFFAOYSA-N 1 0 256.393 3.984 50 0 CHAARO Brc1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000002582657 567848841 /nfs/dbraw/zinc/84/88/41/567848841.db2.gz KVYLZYCUTHZRNA-LBPRGKRZSA-N 1 0 254.171 3.654 50 0 CHAARO CC[NH+](CC)CCOCCOc1ccccc1C(C)(C)C ZINC000002896583 567850349 /nfs/dbraw/zinc/85/03/49/567850349.db2.gz ZYOWIUIBDQZVLO-UHFFFAOYSA-N 1 0 293.451 3.721 50 0 CHAARO CC1CC[NH+](CCCCOc2ccccc2F)CC1 ZINC000002954721 567850489 /nfs/dbraw/zinc/85/04/89/567850489.db2.gz XUUQDVWSCBEDGJ-UHFFFAOYSA-N 1 0 265.372 3.717 50 0 CHAARO CCCC[NH2+]CCCOc1cccc(Br)c1 ZINC000003000961 567850867 /nfs/dbraw/zinc/85/08/67/567850867.db2.gz VMJLMZRVYIREAO-UHFFFAOYSA-N 1 0 286.213 3.608 50 0 CHAARO CC[C@H](C)c1ccccc1OCCOCC[NH+]1CCCC1 ZINC000003003425 567851361 /nfs/dbraw/zinc/85/13/61/567851361.db2.gz YWHUJKPCBOUDMF-INIZCTEOSA-N 1 0 291.435 3.691 50 0 CHAARO C[C@@H]1CN=C(Nc2ccc(Cl)c(Cl)c2)S1 ZINC000003227047 567851941 /nfs/dbraw/zinc/85/19/41/567851941.db2.gz YKMKYRMIBXLAKY-ZCFIWIBFSA-N 1 0 261.177 3.897 50 0 CHAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H](C)COC)ccc21 ZINC000004008056 567854558 /nfs/dbraw/zinc/85/45/58/567854558.db2.gz XTHWYVUJHXFKLK-AWEZNQCLSA-N 1 0 296.414 3.939 50 0 CHAARO COc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OC ZINC000004657534 567858990 /nfs/dbraw/zinc/85/89/90/567858990.db2.gz CQTFTVQWSBEAHG-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000097377475 567860454 /nfs/dbraw/zinc/86/04/54/567860454.db2.gz DUBTYBVPTYPING-BXUZGUMPSA-N 1 0 289.354 3.544 50 0 CHAARO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010434024 567861568 /nfs/dbraw/zinc/86/15/68/567861568.db2.gz LEDCLSJCVCSXHM-UHFFFAOYSA-N 1 0 294.398 3.843 50 0 CHAARO c1ccc(CC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012449463 567863354 /nfs/dbraw/zinc/86/33/54/567863354.db2.gz VUSCDETVURUBAS-SFHVURJKSA-N 1 0 280.415 3.926 50 0 CHAARO c1c(C[N@@H+]2CCc3ccccc3C2)onc1-c1ccccc1 ZINC000012797482 567863974 /nfs/dbraw/zinc/86/39/74/567863974.db2.gz QYLYBCBMJQCYIJ-UHFFFAOYSA-N 1 0 290.366 3.900 50 0 CHAARO Cc1c(C)c(C)c(CSC2=[NH+]C[C@H](C)N2)c(C)c1C ZINC000013464780 567866492 /nfs/dbraw/zinc/86/64/92/567866492.db2.gz CCMARQZPNDFALT-VIFPVBQESA-N 1 0 276.449 3.810 50 0 CHAARO CCC(C)(C)[NH2+]Cc1ccc(Br)cc1 ZINC000013717825 567867294 /nfs/dbraw/zinc/86/72/94/567867294.db2.gz DOCCMHIJVKCDCY-UHFFFAOYSA-N 1 0 256.187 3.727 50 0 CHAARO CC(C)c1cc(Br)ccc1OC1CC[NH2+]CC1 ZINC000042774628 567891752 /nfs/dbraw/zinc/89/17/52/567891752.db2.gz MBAUAAPYQXMNIM-UHFFFAOYSA-N 1 0 298.224 3.703 50 0 CHAARO C[C@H]([NH2+]CC1(O)CCCCC1)c1cccc(Cl)c1 ZINC000014113705 567868292 /nfs/dbraw/zinc/86/82/92/567868292.db2.gz WJSWATFZAFNABR-LBPRGKRZSA-N 1 0 267.800 3.686 50 0 CHAARO Fc1ccccc1CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019359621 567877248 /nfs/dbraw/zinc/87/72/48/567877248.db2.gz GJVQQFLJKSBZDK-UHFFFAOYSA-N 1 0 290.426 3.666 50 0 CHAARO CC[N@@H+]1CCC[C@H]1CNCc1ccc(Cl)cc1Cl ZINC000019371044 567877908 /nfs/dbraw/zinc/87/79/08/567877908.db2.gz LGRBYCDQOCKYAU-ZDUSSCGKSA-N 1 0 287.234 3.567 50 0 CHAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[NH2+]C(C)(C)C2 ZINC000019640164 567878486 /nfs/dbraw/zinc/87/84/86/567878486.db2.gz UOIZCSYSAXLUDJ-GOSISDBHSA-N 1 0 297.398 3.718 50 0 CHAARO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000019737861 567878896 /nfs/dbraw/zinc/87/88/96/567878896.db2.gz GOELAECIDCMZCB-CABCVRRESA-N 1 0 285.387 3.813 50 0 CHAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(Cl)cc1Cl ZINC000019771276 567879307 /nfs/dbraw/zinc/87/93/07/567879307.db2.gz GMBQVXMEPMJXFC-NHYWBVRUSA-N 1 0 299.245 3.662 50 0 CHAARO CC[C@@H](C)[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019889523 567879656 /nfs/dbraw/zinc/87/96/56/567879656.db2.gz KFQCJYMXNGJCIP-MRXNPFEDSA-N 1 0 282.431 3.756 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccccc1C ZINC000019957845 567879938 /nfs/dbraw/zinc/87/99/38/567879938.db2.gz ODSGGAAYPQHRQF-GOSISDBHSA-N 1 0 292.382 3.720 50 0 CHAARO CCOc1ccc([C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000019967421 567880467 /nfs/dbraw/zinc/88/04/67/567880467.db2.gz JNZWYHLQVPTSOU-HNNXBMFYSA-N 1 0 261.752 3.787 50 0 CHAARO [NH3+][C@@H](c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000019967976 567880487 /nfs/dbraw/zinc/88/04/87/567880487.db2.gz SDMAZUVUXSCFFK-INIZCTEOSA-N 1 0 289.762 3.549 50 0 CHAARO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000019970949 567880612 /nfs/dbraw/zinc/88/06/12/567880612.db2.gz QDAAUAUXWSKBJM-HNNXBMFYSA-N 1 0 294.181 3.976 50 0 CHAARO COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1F ZINC000069873640 567881085 /nfs/dbraw/zinc/88/10/85/567881085.db2.gz ZKHSTGOFJVAAMU-MRXNPFEDSA-N 1 0 285.362 3.824 50 0 CHAARO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c1 ZINC000029482459 567884193 /nfs/dbraw/zinc/88/41/93/567884193.db2.gz MUBSGENNPUDQNO-GOSISDBHSA-N 1 0 294.398 3.553 50 0 CHAARO C[C@H]1C[NH+](C2CCC(c3ccccc3)CC2)C[C@H](C)O1 ZINC000023283002 567888680 /nfs/dbraw/zinc/88/86/80/567888680.db2.gz YWHAEDFZOJVVRV-QEFXCSQDSA-N 1 0 273.420 3.822 50 0 CHAARO CC(C)(C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000037927222 567890233 /nfs/dbraw/zinc/89/02/33/567890233.db2.gz XFAUHEOVDFIIIL-UHFFFAOYSA-N 1 0 276.605 3.991 50 0 CHAARO C[NH2+][C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000040940773 567890966 /nfs/dbraw/zinc/89/09/66/567890966.db2.gz HEDJEUMBKXDANM-ZDUSSCGKSA-N 1 0 267.159 3.697 50 0 CHAARO Cc1cc(Cl)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770637 567891720 /nfs/dbraw/zinc/89/17/20/567891720.db2.gz OONYCBKEPLAZPX-ZDUSSCGKSA-N 1 0 253.773 3.559 50 0 CHAARO CCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000060370065 567895023 /nfs/dbraw/zinc/89/50/23/567895023.db2.gz XKIQEGNQSHLZKL-AWEZNQCLSA-N 1 0 271.364 3.674 50 0 CHAARO CCCCC[N@H+](Cc1cc(C)c(C(=O)OC)o1)C(C)C ZINC000059350232 567896258 /nfs/dbraw/zinc/89/62/58/567896258.db2.gz FAVQMQBBTOGQEN-UHFFFAOYSA-N 1 0 281.396 3.775 50 0 CHAARO CC[N@H+](Cc1cn2cccc(C)c2n1)Cc1ccccc1C ZINC000058919225 567896275 /nfs/dbraw/zinc/89/62/75/567896275.db2.gz DSCSIEFUDCYEBG-UHFFFAOYSA-N 1 0 293.414 3.973 50 0 CHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c(C)c2)on1 ZINC000064666822 567898036 /nfs/dbraw/zinc/89/80/36/567898036.db2.gz QAGWTDYZUGIEES-INIZCTEOSA-N 1 0 270.376 3.937 50 0 CHAARO Cc1cnc(C)c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n1 ZINC000065369863 567898415 /nfs/dbraw/zinc/89/84/15/567898415.db2.gz UWRDNEAZPYIDJP-OAHLLOKOSA-N 1 0 281.403 3.917 50 0 CHAARO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000065387433 567898432 /nfs/dbraw/zinc/89/84/32/567898432.db2.gz MBLAOMIEOWHZBV-AWEZNQCLSA-N 1 0 258.390 3.789 50 0 CHAARO COc1ccc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nn1 ZINC000065385557 567898651 /nfs/dbraw/zinc/89/86/51/567898651.db2.gz HVTDNDRXTUIAGG-AWEZNQCLSA-N 1 0 297.402 3.699 50 0 CHAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000065381940 567898688 /nfs/dbraw/zinc/89/86/88/567898688.db2.gz RHTQLJVUFOVOSB-CQSZACIVSA-N 1 0 280.371 3.891 50 0 CHAARO Cc1nc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c[nH]1 ZINC000065387959 567898975 /nfs/dbraw/zinc/89/89/75/567898975.db2.gz KFQWMXSEPHNTBU-GFCCVEGCSA-N 1 0 255.365 3.542 50 0 CHAARO C(=C/c1ccco1)\C[NH+]1CCC(c2ccncc2)CC1 ZINC000065395811 567899413 /nfs/dbraw/zinc/89/94/13/567899413.db2.gz WCGRSPHWNYTRFT-HNQUOIGGSA-N 1 0 268.360 3.567 50 0 CHAARO CO[C@@H](C)c1ccc(-c2ccccc2CC[NH3+])cc1 ZINC000067910320 567901133 /nfs/dbraw/zinc/90/11/33/567901133.db2.gz RFBHFNJUVZVNQM-ZDUSSCGKSA-N 1 0 255.361 3.562 50 0 CHAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccccc1F ZINC000004678357 567901354 /nfs/dbraw/zinc/90/13/54/567901354.db2.gz KKNXTBAEOIUTMS-UHFFFAOYSA-N 1 0 281.334 3.838 50 0 CHAARO [NH3+][C@H]1CCCCc2c3cc(Br)ccc3[nH]c21 ZINC000096978878 567903356 /nfs/dbraw/zinc/90/33/56/567903356.db2.gz UFGUZGRZKTZRAB-NSHDSACASA-N 1 0 279.181 3.657 50 0 CHAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC000072477529 567903402 /nfs/dbraw/zinc/90/34/02/567903402.db2.gz FDXONPFRXQMYGY-INIZCTEOSA-N 1 0 298.833 3.785 50 0 CHAARO CC(C)OC[C@@H](C)[NH2+]Cc1csc2ccccc12 ZINC000337335719 567905621 /nfs/dbraw/zinc/90/56/21/567905621.db2.gz LQXWFMMPPRWRKD-GFCCVEGCSA-N 1 0 263.406 3.804 50 0 CHAARO CC1([NH2+]Cc2ccc(Oc3ccccc3)o2)CCOCC1 ZINC000097236055 567905719 /nfs/dbraw/zinc/90/57/19/567905719.db2.gz UPXZVVSTEJDFCV-UHFFFAOYSA-N 1 0 287.359 3.731 50 0 CHAARO CCCCn1ccnc1[C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000095501299 567909367 /nfs/dbraw/zinc/90/93/67/567909367.db2.gz QHYUBBHYKCDBHU-INIZCTEOSA-N 1 0 298.434 3.771 50 0 CHAARO CC(C)CCOc1ccc(C[NH2+]CC(C)(C)N(C)C)cc1 ZINC000095377574 567909599 /nfs/dbraw/zinc/90/95/99/567909599.db2.gz SKOOBLYEIYKHPL-UHFFFAOYSA-N 1 0 292.467 3.541 50 0 CHAARO CCCn1ncnc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000096152290 567909693 /nfs/dbraw/zinc/90/96/93/567909693.db2.gz HMIMTLGUXXOSSE-CQSZACIVSA-N 1 0 284.407 3.512 50 0 CHAARO c1ccc2sc(SC3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2c1 ZINC000095908599 567909922 /nfs/dbraw/zinc/90/99/22/567909922.db2.gz OQUJVXCKWPPMOT-ZACCUICWSA-N 1 0 276.430 3.671 50 0 CHAARO COC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000097173098 567910614 /nfs/dbraw/zinc/91/06/14/567910614.db2.gz HJHSVVSVRROGCZ-ZDUSSCGKSA-N 1 0 287.325 3.706 50 0 CHAARO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000095457175 567915243 /nfs/dbraw/zinc/91/52/43/567915243.db2.gz VXVCAWZWHQOQIN-HRLGVUPISA-N 1 0 285.497 3.625 50 0 CHAARO Cc1cccc(C(=O)O[C@H](C)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000103657162 567915768 /nfs/dbraw/zinc/91/57/68/567915768.db2.gz CDLAWMHMQXCIAA-BZUAXINKSA-N 1 0 289.419 3.803 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H]31 ZINC000247937544 567928400 /nfs/dbraw/zinc/92/84/00/567928400.db2.gz HKCFIODYAGNXJQ-PTAUBWNISA-N 1 0 296.414 3.896 50 0 biogenic CHAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc3ccccc3c1)[NH2+]CC2 ZINC000004031325 567932280 /nfs/dbraw/zinc/93/22/80/567932280.db2.gz LNMZDLQETPKCDD-QYZOEREBSA-N 1 0 281.399 3.796 50 0 CHAARO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000020027996 567945329 /nfs/dbraw/zinc/94/53/29/567945329.db2.gz OKTLQXOVKNSJAJ-GOSISDBHSA-N 1 0 294.398 3.570 50 0 CHAARO Cc1c(-c2ccccc2)[n+](=O)c(-c2ccccc2)c(C)n1O ZINC000136845998 567946887 /nfs/dbraw/zinc/94/68/87/567946887.db2.gz GYHJVBSPBPDASB-UHFFFAOYSA-N 1 0 293.346 3.591 50 0 CHAARO FC(F)(F)Oc1ccc(C[NH+]2CCCCC2)cc1 ZINC000023280682 567948654 /nfs/dbraw/zinc/94/86/54/567948654.db2.gz NTWRZYAZBPXMLC-UHFFFAOYSA-N 1 0 259.271 3.571 50 0 CHAARO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000225256538 567952629 /nfs/dbraw/zinc/95/26/29/567952629.db2.gz XXQWTMSXVMQLIY-GHMZBOCLSA-N 1 0 277.393 3.591 50 0 CHAARO COc1ccc(C[N@H+](C)[C@H]2C[C@@H]2c2ccccc2)c(OC)c1 ZINC000225542420 567954088 /nfs/dbraw/zinc/95/40/88/567954088.db2.gz KIQHISXRKJPWKZ-MSOLQXFVSA-N 1 0 297.398 3.692 50 0 CHAARO Cc1cc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)oc1C ZINC000225732322 567954745 /nfs/dbraw/zinc/95/47/45/567954745.db2.gz VTOLEMDHVGYKAG-CQSZACIVSA-N 1 0 299.418 3.742 50 0 CHAARO C[NH2+]Cc1c(F)cccc1Oc1ccc(F)cc1F ZINC000014807376 570224875 /nfs/dbraw/zinc/22/48/75/570224875.db2.gz BCGJOIPZHKSWBC-UHFFFAOYSA-N 1 0 267.250 3.616 50 0 CHAARO c1nc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)cs1 ZINC000066898356 570245811 /nfs/dbraw/zinc/24/58/11/570245811.db2.gz KSNUYCYEYDMRIR-HNNXBMFYSA-N 1 0 272.417 3.913 50 0 CHAARO CSc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000020018541 570290684 /nfs/dbraw/zinc/29/06/84/570290684.db2.gz YEZJKFMHMZRPDN-UHFFFAOYSA-N 1 0 275.392 3.880 50 0 CHAARO CSc1ccccc1NC(=O)CC[N@H+](C)C1CCCC1 ZINC000048399484 570298371 /nfs/dbraw/zinc/29/83/71/570298371.db2.gz JECUBFYCTYDOEJ-UHFFFAOYSA-N 1 0 292.448 3.612 50 0 CHAARO CCc1ccc(CN2CCCC[C@H]2c2nccs2)nc1 ZINC000215197380 570302444 /nfs/dbraw/zinc/30/24/44/570302444.db2.gz SLFGEBBQLKJHFY-HNNXBMFYSA-N 1 0 287.432 3.828 50 0 CHAARO COCC[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000215289411 570302776 /nfs/dbraw/zinc/30/27/76/570302776.db2.gz OXVXBFSTRALDEG-AWEZNQCLSA-N 1 0 273.376 3.681 50 0 CHAARO CN(Cc1c(Cl)cncc1Cl)C1CCSCC1 ZINC000215356672 570302862 /nfs/dbraw/zinc/30/28/62/570302862.db2.gz AQAAERCWIAIIIY-UHFFFAOYSA-N 1 0 291.247 3.716 50 0 CHAARO COC[C@@H]1CC[N@H+](Cc2cc(C(C)C)c(OC)cc2C)C1 ZINC000215461538 570303276 /nfs/dbraw/zinc/30/32/76/570303276.db2.gz HPCRNKHXUXYSLD-OAHLLOKOSA-N 1 0 291.435 3.595 50 0 CHAARO Cc1ccccc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000215532878 570303325 /nfs/dbraw/zinc/30/33/25/570303325.db2.gz YKOLNKUKIPMKQX-QGZVFWFLSA-N 1 0 266.388 3.770 50 0 CHAARO COC[C@H]1CC[N@H+](Cc2cc(C(C)C)c(OC)cc2C)C1 ZINC000215461491 570303359 /nfs/dbraw/zinc/30/33/59/570303359.db2.gz HPCRNKHXUXYSLD-HNNXBMFYSA-N 1 0 291.435 3.595 50 0 CHAARO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3nc(C)sc32)C1 ZINC000685939699 570318246 /nfs/dbraw/zinc/31/82/46/570318246.db2.gz ZORGCWCTMYEGRR-DMDPSCGWSA-N 1 0 282.478 3.703 50 0 CHAARO Cc1[nH]c2ccc(C[NH2+][C@H](C)Cc3cccnc3)cc2c1C ZINC000012431336 570318443 /nfs/dbraw/zinc/31/84/43/570318443.db2.gz AVMKMXYQDMMCFE-CYBMUJFWSA-N 1 0 293.414 3.901 50 0 CHAARO CCn1ccc2c1cccc2C[NH+]1CC(c2ccccn2)C1 ZINC000252494911 570322784 /nfs/dbraw/zinc/32/27/84/570322784.db2.gz OHTFNYCUVBJUGV-UHFFFAOYSA-N 1 0 291.398 3.656 50 0 CHAARO O[C@H](C[NH2+]Cc1ccc2ccccc2c1)c1ccccc1 ZINC000035111694 570339426 /nfs/dbraw/zinc/33/94/26/570339426.db2.gz DVNIZVFLKYHUBG-LJQANCHMSA-N 1 0 277.367 3.663 50 0 CHAARO Cc1cnc([C@@H]([NH2+][C@H](C)CC2CC2)C2CC2)s1 ZINC000089702395 570368135 /nfs/dbraw/zinc/36/81/35/570368135.db2.gz ZIJNHJWXOBVNAI-RNCFNFMXSA-N 1 0 250.411 3.681 50 0 CHAARO CC[C@@H](C)[NH2+]CCCOc1ccccc1OC(C)C ZINC000002821817 570371420 /nfs/dbraw/zinc/37/14/20/570371420.db2.gz SWTVYLBHHVFUBF-CQSZACIVSA-N 1 0 265.397 3.631 50 0 CHAARO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1Cc1ccncc1 ZINC000095401542 570371748 /nfs/dbraw/zinc/37/17/48/570371748.db2.gz DJPDQXZFCVTWSO-WFASDCNBSA-N 1 0 258.390 3.521 50 0 CHAARO C[C@H]1CSc2ccccc2[C@@H]1[NH2+]Cc1cccnc1 ZINC000095427019 570371813 /nfs/dbraw/zinc/37/18/13/570371813.db2.gz RACKREXTFQOYNZ-BLLLJJGKSA-N 1 0 270.401 3.654 50 0 CHAARO c1[nH]c2ccccc2c1CCC[NH2+]Cc1ccccc1 ZINC000002197791 570375732 /nfs/dbraw/zinc/37/57/32/570375732.db2.gz LLYSVXLWCQNOSB-UHFFFAOYSA-N 1 0 264.372 3.890 50 0 CHAARO C[C@H]1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000000279998 570382737 /nfs/dbraw/zinc/38/27/37/570382737.db2.gz XGRCNMHFPNLYAF-LSDHHAIUSA-N 1 0 276.399 3.526 50 0 CHAARO Fc1ccccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000000278285 570382865 /nfs/dbraw/zinc/38/28/65/570382865.db2.gz RKQADKJEAHNBPK-UHFFFAOYSA-N 1 0 276.399 3.528 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[N@@H+](C)CC[C@H](C)O)o1 ZINC000093481234 570396181 /nfs/dbraw/zinc/39/61/81/570396181.db2.gz NFCKAVWELHQLGA-LBPRGKRZSA-N 1 0 291.366 3.597 50 0 CHAARO Cc1ccc2[nH]cc(-c3cccc(N4CC[NH2+]CC4)c3)c2c1 ZINC000067964919 570400906 /nfs/dbraw/zinc/40/09/06/570400906.db2.gz RIMSRHZZWBHPLZ-UHFFFAOYSA-N 1 0 291.398 3.553 50 0 CHAARO Cc1nc2ccccc2c(NCCc2ccccc2)n1 ZINC000070666182 570404397 /nfs/dbraw/zinc/40/43/97/570404397.db2.gz QBGQNIIMQLREEM-UHFFFAOYSA-N 1 0 263.344 3.593 50 0 biogenic CHAARO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(C)CC3)o2)c1 ZINC000039987698 570412216 /nfs/dbraw/zinc/41/22/16/570412216.db2.gz HGLVJVJHPAZRNZ-CQSZACIVSA-N 1 0 285.391 3.838 50 0 CHAARO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000229378046 1125494162 /nfs/dbraw/zinc/49/41/62/1125494162.db2.gz NFWGKGMZTXRFBL-XJKSGUPXSA-N 1 0 280.843 3.502 50 0 CHAARO CO[C@H](C)C[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000348839801 1127111349 /nfs/dbraw/zinc/11/13/49/1127111349.db2.gz YDRRPOJURNWBCU-CYBMUJFWSA-N 1 0 275.348 3.539 50 0 CHAARO C[C@H](CCCC(C)(C)O)CC[NH2+]C(C1CC1)C1CC1 ZINC000032547727 1127954820 /nfs/dbraw/zinc/95/48/20/1127954820.db2.gz PXBRWFHBZSOZJU-CYBMUJFWSA-N 1 0 267.457 3.732 50 0 CHAARO CC[NH+](CC)C/C=C\c1c(F)c(F)c(OC)c(F)c1F ZINC000033481179 1128535011 /nfs/dbraw/zinc/53/50/11/1128535011.db2.gz GXZHTDWHASSMQW-SREVYHEPSA-N 1 0 291.288 3.607 50 0 CHAARO O[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013729988 1118454387 /nfs/dbraw/zinc/45/43/87/1118454387.db2.gz IXJFAZPPIDOJGE-FQEVSTJZSA-N 1 0 295.426 3.502 50 0 CHAARO CC[NH+](CC)CCCOc1ccc(Cl)c(C)c1 ZINC000002490238 1118568842 /nfs/dbraw/zinc/56/88/42/1118568842.db2.gz FYIUCCMZNNXCSS-UHFFFAOYSA-N 1 0 255.789 3.759 50 0 CHAARO Cc1ccc(OCCCCC[NH+]2CCCC2)c(C)c1 ZINC000002494249 1118572839 /nfs/dbraw/zinc/57/28/39/1118572839.db2.gz CDDCMAVTFMUAOY-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO CC[NH+](CC)CCCOc1c(C)cccc1Cl ZINC000002899449 1119152205 /nfs/dbraw/zinc/15/22/05/1119152205.db2.gz ZLSSYEQUTMGISH-UHFFFAOYSA-N 1 0 255.789 3.759 50 0 CHAARO CO[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000091772371 1119410722 /nfs/dbraw/zinc/41/07/22/1119410722.db2.gz RIOOUPNZWBPADQ-ZDUSSCGKSA-N 1 0 261.390 3.512 50 0 CHAARO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccoc1 ZINC000181344665 1128870990 /nfs/dbraw/zinc/87/09/90/1128870990.db2.gz ONCJHKOEGFZLCJ-LBPRGKRZSA-N 1 0 274.364 3.703 50 0 CHAARO CC(C)(C)c1ccccc1OCCC[NH+]1CCCC1 ZINC000002496981 1119989389 /nfs/dbraw/zinc/98/93/89/1119989389.db2.gz OXMKDKAZQWSJHS-UHFFFAOYSA-N 1 0 261.409 3.849 50 0 CHAARO CCOC(=O)C1CC[NH+](C[C@H](C)CCC=C(C)C)CC1 ZINC000000757348 1120973357 /nfs/dbraw/zinc/97/33/57/1120973357.db2.gz DAPCMVFWMLZVTC-OAHLLOKOSA-N 1 0 281.440 3.644 50 0 CHAARO c1ccc(CC[C@@H]2CCCC[N@@H+]2CCc2ccccn2)nc1 ZINC000252503885 1121652515 /nfs/dbraw/zinc/65/25/15/1121652515.db2.gz VGZYOTNNLMALHX-IBGZPJMESA-N 1 0 295.430 3.506 50 0 CHAARO CCn1cncc1C[N@H+](CC)Cc1ccc(SC)cc1 ZINC000252488513 1121653533 /nfs/dbraw/zinc/65/35/33/1121653533.db2.gz ITWNNFHOIKBCML-UHFFFAOYSA-N 1 0 289.448 3.647 50 0 CHAARO O[C@](CC[NH+]1CCCC1)(c1ccccc1)C1CCCCC1 ZINC000000004760 1123548637 /nfs/dbraw/zinc/54/86/37/1123548637.db2.gz WYDUSKDSKCASEF-LJQANCHMSA-N 1 0 287.447 3.940 50 0 world CHAARO C1CC1[C@@H]1C[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CCO1 ZINC000585117459 1131308429 /nfs/dbraw/zinc/30/84/29/1131308429.db2.gz FAXDRBYMVCHQGI-MSOLQXFVSA-N 1 0 275.436 3.957 50 0 CHAARO C[C@@H](c1ccncn1)[N@H+](C)Cc1ccccc1-c1ccco1 ZINC000215052244 1125425812 /nfs/dbraw/zinc/42/58/12/1125425812.db2.gz BISAAZJJEASEIX-AWEZNQCLSA-N 1 0 293.370 3.930 50 0 CHAARO C=Cc1cccc(C[NH+]2CCC([C@H](C)COC)CC2)c1 ZINC000824332679 1129293577 /nfs/dbraw/zinc/29/35/77/1129293577.db2.gz GWFVAHIHOSJKQZ-OAHLLOKOSA-N 1 0 273.420 3.824 50 0 CHAARO c1cncc([C@@H]2CCCC[N@H+]2C[C@H]2CC=CCC2)c1 ZINC000000439449 1129755420 /nfs/dbraw/zinc/75/54/20/1129755420.db2.gz CIBSHJVEIGZLPS-RDJZCZTQSA-N 1 0 256.393 3.965 50 0 CHAARO C[C@H](CC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000683708906 1129839494 /nfs/dbraw/zinc/83/94/94/1129839494.db2.gz ZLSKSKXOGPTLCD-CYBMUJFWSA-N 1 0 295.386 3.552 50 0 CHAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000019111070 1129845211 /nfs/dbraw/zinc/84/52/11/1129845211.db2.gz XUBRKMBDYIPJDX-QGZVFWFLSA-N 1 0 295.430 3.975 50 0 CHAARO Cc1ccc(C)c(C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000019537031 1129845988 /nfs/dbraw/zinc/84/59/88/1129845988.db2.gz AHXXUJWKYVDELZ-UHFFFAOYSA-N 1 0 294.442 3.621 50 0 CHAARO CC(C)=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C(C)C)CC1 ZINC000020778026 1129849135 /nfs/dbraw/zinc/84/91/35/1129849135.db2.gz CBECSXWMTNOWJP-INIZCTEOSA-N 1 0 294.483 3.606 50 0 CHAARO COc1cc(F)cc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000193066689 1131913407 /nfs/dbraw/zinc/91/34/07/1131913407.db2.gz UOTJXVFDLDNUHB-HNNXBMFYSA-N 1 0 275.323 3.595 50 0 CHAARO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc2cccc(F)c2n1 ZINC000952974831 1132016561 /nfs/dbraw/zinc/01/65/61/1132016561.db2.gz NNEHYZDSTHSTSB-CYBMUJFWSA-N 1 0 295.361 3.962 50 0 CHAARO CCC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000095561962 185009611 /nfs/dbraw/zinc/00/96/11/185009611.db2.gz LUENAZOOIPSKQU-UHFFFAOYSA-N 1 0 260.356 3.896 50 0 CHAARO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cccc(CO)c2)cc1 ZINC000095967745 185046299 /nfs/dbraw/zinc/04/62/99/185046299.db2.gz ANNWNAUGPYXHRA-OAHLLOKOSA-N 1 0 299.414 3.817 50 0 CHAARO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000095968237 185046445 /nfs/dbraw/zinc/04/64/45/185046445.db2.gz CDCZCTDCRYKYMP-QGHHPUGFSA-N 1 0 288.366 3.639 50 0 CHAARO C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)C1CCOCC1 ZINC000095967871 185046750 /nfs/dbraw/zinc/04/67/50/185046750.db2.gz MKJHPSDRXLUJLA-AWEZNQCLSA-N 1 0 291.460 3.716 50 0 CHAARO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000095968235 185046935 /nfs/dbraw/zinc/04/69/35/185046935.db2.gz CDCZCTDCRYKYMP-BMLIUANNSA-N 1 0 288.366 3.639 50 0 CHAARO CC[C@@H]([NH2+]C1CCOCC1)C(C)(C)c1ccccc1 ZINC000095968494 185046950 /nfs/dbraw/zinc/04/69/50/185046950.db2.gz STAGLHZQRMNDMT-MRXNPFEDSA-N 1 0 261.409 3.511 50 0 CHAARO CC(C)[C@H]1C[C@H](C[N@H+](C)Cc2ccccc2)CCO1 ZINC000095995474 185060782 /nfs/dbraw/zinc/06/07/82/185060782.db2.gz PNOBLPFZYWHWHJ-IAGOWNOFSA-N 1 0 261.409 3.570 50 0 CHAARO CC(C)n1ccnc1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000096131650 185103732 /nfs/dbraw/zinc/10/37/32/185103732.db2.gz MBRLLNKDOBMOHE-CYBMUJFWSA-N 1 0 257.381 3.754 50 0 CHAARO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000004980576 136554624 /nfs/dbraw/zinc/55/46/24/136554624.db2.gz QLFDXJUIELKWRJ-KRWDZBQOSA-N 1 0 280.415 3.612 50 0 CHAARO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1nccs1 ZINC000086507936 179303658 /nfs/dbraw/zinc/30/36/58/179303658.db2.gz CFKNXLDTVWWQQG-LLVKDONJSA-N 1 0 271.389 3.518 50 0 CHAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccsc1 ZINC000090765010 180036974 /nfs/dbraw/zinc/03/69/74/180036974.db2.gz VBQAEYZCXGLQCS-ZJUUUORDSA-N 1 0 264.394 3.807 50 0 CHAARO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]C2CCOCC2)cc1 ZINC000090969053 180077179 /nfs/dbraw/zinc/07/71/79/180077179.db2.gz VWFBAXGCNDTYQN-CYBMUJFWSA-N 1 0 291.288 3.588 50 0 CHAARO CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000108112414 186205512 /nfs/dbraw/zinc/20/55/12/186205512.db2.gz GVDOJAIWRYDSMD-KYJSFNMBSA-N 1 0 272.436 3.599 50 0 CHAARO Cc1nc(CC[N@@H+]2CCC[C@@H]2c2ccccc2)cs1 ZINC000163336453 188604603 /nfs/dbraw/zinc/60/46/03/188604603.db2.gz VPCLOOZDQXEGNV-MRXNPFEDSA-N 1 0 272.417 3.831 50 0 CHAARO Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC[NH3+] ZINC000000140725 169551860 /nfs/dbraw/zinc/55/18/60/169551860.db2.gz GXWTUBXFAHMHIY-UHFFFAOYSA-N 1 0 280.371 3.557 50 0 CHAARO C[C@@H]([NH2+]Cc1cncc(Br)c1)c1ccccc1 ZINC000163817677 533467057 /nfs/dbraw/zinc/46/70/57/533467057.db2.gz YEUMDZFDFWWZDW-LLVKDONJSA-N 1 0 291.192 3.695 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000004981161 134653008 /nfs/dbraw/zinc/65/30/08/134653008.db2.gz SXJVGQSBOLALOD-GOSISDBHSA-N 1 0 284.447 3.782 50 0 CHAARO Clc1ccc(N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000055543696 134927122 /nfs/dbraw/zinc/92/71/22/134927122.db2.gz AVEWTKSKCDGJRN-UHFFFAOYSA-N 1 0 292.835 3.724 50 0 CHAARO CCOCCC[NH2+]Cc1c(OCC)ccc2ccccc21 ZINC000002178141 169779936 /nfs/dbraw/zinc/77/99/36/169779936.db2.gz VQBZBYSFKHQTHQ-UHFFFAOYSA-N 1 0 287.403 3.755 50 0 CHAARO C[C@H](CC[N@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000002497758 169796180 /nfs/dbraw/zinc/79/61/80/169796180.db2.gz FTKVQIKBBWRAIS-QGZVFWFLSA-N 1 0 283.415 3.675 50 0 CHAARO CC[C@H](C)[NH2+]CCOCCSc1ccc(Cl)cc1 ZINC000002822062 169834523 /nfs/dbraw/zinc/83/45/23/169834523.db2.gz KCNTUDCFSRPKPU-LBPRGKRZSA-N 1 0 287.856 3.837 50 0 CHAARO CC(C)(C)[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000002901867 169843295 /nfs/dbraw/zinc/84/32/95/169843295.db2.gz HQLZHXPOOOALLQ-UHFFFAOYSA-N 1 0 255.789 3.887 50 0 CHAARO Cc1ccc(C)c(OCCC[NH+]2CCCCC2)c1C ZINC000002933531 169845290 /nfs/dbraw/zinc/84/52/90/169845290.db2.gz KNFWIZQORVGZQJ-UHFFFAOYSA-N 1 0 261.409 3.867 50 0 CHAARO Cc1cc(C)c(OCCOCC[NH2+]C(C)(C)C)c(Cl)c1 ZINC000002981129 169846739 /nfs/dbraw/zinc/84/67/39/169846739.db2.gz HKVRMNSZGPPIMR-UHFFFAOYSA-N 1 0 299.842 3.740 50 0 CHAARO Cc1ccc(C(C)C)c(OCC[NH2+]Cc2ccco2)c1 ZINC000003003405 169849298 /nfs/dbraw/zinc/84/92/98/169849298.db2.gz DDHFNKAVRVJNDC-UHFFFAOYSA-N 1 0 273.376 3.880 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000003683597 169908035 /nfs/dbraw/zinc/90/80/35/169908035.db2.gz KSJXTMFEFVOTFC-XXXXFFMBSA-N 1 0 279.468 3.730 50 0 CHAARO C[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000003886970 169920282 /nfs/dbraw/zinc/92/02/82/169920282.db2.gz HUUOWYZTEOSVSA-AWEZNQCLSA-N 1 0 276.177 3.758 50 0 CHAARO c1sc2[n+](c1C13CC4CC(CC(C4)C1)C3)CCS2 ZINC000004185336 169941884 /nfs/dbraw/zinc/94/18/84/169941884.db2.gz TXTIDJPQKINVND-UHFFFAOYSA-N 1 0 278.466 3.609 50 0 CHAARO COC[C@@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000004700155 170001418 /nfs/dbraw/zinc/00/14/18/170001418.db2.gz OKLVOSIUWRAEJX-CQSZACIVSA-N 1 0 271.360 3.603 50 0 CHAARO COCCC[NH2+]CCCCOc1ccc(C(C)C)c(C)c1 ZINC000004845237 170029755 /nfs/dbraw/zinc/02/97/55/170029755.db2.gz JADYSKGYWOLVIP-UHFFFAOYSA-N 1 0 293.451 3.904 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004871746 170034513 /nfs/dbraw/zinc/03/45/13/170034513.db2.gz UEQWWPMREGCWDQ-STQMWFEESA-N 1 0 284.403 3.637 50 0 CHAARO CC1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C1 ZINC000004889362 170036478 /nfs/dbraw/zinc/03/64/78/170036478.db2.gz GPNLJAZAPSEYDT-IRXDYDNUSA-N 1 0 267.372 3.603 50 0 CHAARO Cc1cc(C)c(OCC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000004906676 170039867 /nfs/dbraw/zinc/03/98/67/170039867.db2.gz IFQQLQDQMCRAGN-ZDUSSCGKSA-N 1 0 261.409 3.723 50 0 CHAARO Clc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000004914833 170040406 /nfs/dbraw/zinc/04/04/06/170040406.db2.gz HDBJCXNKFKHIPT-UHFFFAOYSA-N 1 0 253.773 3.595 50 0 CHAARO Cc1ccc(OCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000004978694 170048041 /nfs/dbraw/zinc/04/80/41/170048041.db2.gz JVCQCNASASCCSP-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO COc1ccc(CC[NH2+]Cc2cc(C)c(OC)cc2C)cc1 ZINC000004996725 170052269 /nfs/dbraw/zinc/05/22/69/170052269.db2.gz JPXTXFJZXUXDCJ-UHFFFAOYSA-N 1 0 299.414 3.653 50 0 CHAARO CN(C)c1cc[n+](C2c3ccccc3-c3ccccc32)cc1 ZINC000006051335 170172175 /nfs/dbraw/zinc/17/21/75/170172175.db2.gz JHDWSHVMNUNXHY-UHFFFAOYSA-N 1 0 287.386 3.658 50 0 CHAARO CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000006430943 170200897 /nfs/dbraw/zinc/20/08/97/170200897.db2.gz NZDJNTIBTNRFDT-UHFFFAOYSA-N 1 0 255.361 3.765 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000006543392 170212223 /nfs/dbraw/zinc/21/22/23/170212223.db2.gz GQNHILDWJKZSCN-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO COc1ccc(Sc2ccccc2C[NH+](C)C)cc1 ZINC000006637833 170220764 /nfs/dbraw/zinc/22/07/64/170220764.db2.gz QPEXKHAYIOIQOH-UHFFFAOYSA-N 1 0 273.401 3.908 50 0 CHAARO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000006882321 170252222 /nfs/dbraw/zinc/25/22/22/170252222.db2.gz JLIFWPGIJMURQD-GFCCVEGCSA-N 1 0 280.799 3.543 50 0 CHAARO Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000007636276 170294496 /nfs/dbraw/zinc/29/44/96/170294496.db2.gz NCJYCTRTLSFMPL-OAHLLOKOSA-N 1 0 293.451 3.539 50 0 CHAARO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCCCCCC1 ZINC000008338932 170332161 /nfs/dbraw/zinc/33/21/61/170332161.db2.gz VLACMZYDHRFZDK-GFCCVEGCSA-N 1 0 296.361 3.558 50 0 CHAARO Cc1[nH]c2ccccc2c(=O)c1C[N@H+](C)Cc1ccccc1 ZINC000008584566 170342099 /nfs/dbraw/zinc/34/20/99/170342099.db2.gz GJRLAFXGKXGLNH-UHFFFAOYSA-N 1 0 292.382 3.881 50 0 CHAARO C[C@H]([NH3+])Cc1cn(Cc2ccccc2)c2ccc(F)cc12 ZINC000009422096 170376473 /nfs/dbraw/zinc/37/64/73/170376473.db2.gz IMCYGPKIVVEORV-ZDUSSCGKSA-N 1 0 282.362 3.718 50 0 CHAARO Cc1ccsc1C[NH2+]CCCOC1CCCCC1 ZINC000020191392 171057486 /nfs/dbraw/zinc/05/74/86/171057486.db2.gz UGNHQBNTEXRFCH-UHFFFAOYSA-N 1 0 267.438 3.886 50 0 CHAARO CC[N@@H+]1CCC[C@H](CN(C)Cc2[nH]c3ccccc3c2C)C1 ZINC000020200947 171064736 /nfs/dbraw/zinc/06/47/36/171064736.db2.gz NUXMRIYJLBMSJY-MRXNPFEDSA-N 1 0 299.462 3.640 50 0 CHAARO Clc1ccc(Cl)c(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020221547 171083201 /nfs/dbraw/zinc/08/32/01/171083201.db2.gz BTDKHBOOXTVCAU-NSHDSACASA-N 1 0 274.191 3.904 50 0 CHAARO Cc1nc(-c2ccc(N[C@H]3C[NH+]4CCC3CC4)cc2)cs1 ZINC000020441736 171205122 /nfs/dbraw/zinc/20/51/22/171205122.db2.gz DNGWBFXECJFYDW-INIZCTEOSA-N 1 0 299.443 3.625 50 0 CHAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(F)c1 ZINC000020473387 171217682 /nfs/dbraw/zinc/21/76/82/171217682.db2.gz NRULFNMVFVYFOB-ZDUSSCGKSA-N 1 0 273.351 3.642 50 0 CHAARO OC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000020600244 171266309 /nfs/dbraw/zinc/26/63/09/171266309.db2.gz FWXWPFQDMCQXRX-LJQANCHMSA-N 1 0 299.389 3.840 50 0 CHAARO c1[nH]c2ccccc2c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000020757831 171272324 /nfs/dbraw/zinc/27/23/24/171272324.db2.gz ZWNGOYWZUZEHQG-SFHVURJKSA-N 1 0 287.366 3.884 50 0 biogenic CHAARO COc1ccc(C[NH2+]Cc2ccccc2OC)cc1Cl ZINC000020928155 171280571 /nfs/dbraw/zinc/28/05/71/171280571.db2.gz ZVKFKXMFFWLJIX-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO Cc1ccc(S[C@H](C)C[N@H+](C)C2CCOCC2)cc1 ZINC000020998138 171284198 /nfs/dbraw/zinc/28/41/98/171284198.db2.gz IFQDMHBPNJULMY-CQSZACIVSA-N 1 0 279.449 3.586 50 0 CHAARO N[C@@H](c1ccc(Cl)cc1)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000021303916 171301868 /nfs/dbraw/zinc/30/18/68/171301868.db2.gz HHPPUZSHKRJDIW-KBPBESRZSA-N 1 0 281.186 3.693 50 0 CHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC000021720183 171320505 /nfs/dbraw/zinc/32/05/05/171320505.db2.gz GCNNZQAHSQUNTB-INIZCTEOSA-N 1 0 270.376 3.937 50 0 CHAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000022078193 171352565 /nfs/dbraw/zinc/35/25/65/171352565.db2.gz NDOZPBNTVAXUDP-NHYWBVRUSA-N 1 0 299.245 3.662 50 0 CHAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CCCn2ccnc2)o1 ZINC000022077565 171352716 /nfs/dbraw/zinc/35/27/16/171352716.db2.gz NFUSOXFFLYAWQL-AWEZNQCLSA-N 1 0 289.423 3.521 50 0 CHAARO C[C@H]1Cc2cc([C@H]([NH3+])CCc3ccccc3)ccc2O1 ZINC000022078700 171352718 /nfs/dbraw/zinc/35/27/18/171352718.db2.gz VUEKMEXVKPGTAQ-SUMWQHHRSA-N 1 0 267.372 3.643 50 0 CHAARO CC[C@@H]([NH2+]C1CC1)c1ccc(Br)cc1 ZINC000022176981 171370768 /nfs/dbraw/zinc/37/07/68/171370768.db2.gz BXXKISRNSWZPIZ-GFCCVEGCSA-N 1 0 254.171 3.652 50 0 CHAARO C[n+]1ccccc1/C=C/c1ccc(Cl)c(Cl)c1 ZINC000025665507 171463675 /nfs/dbraw/zinc/46/36/75/171463675.db2.gz JBHPXIYKUOHIQM-FNORWQNLSA-N 1 0 265.163 3.988 50 0 CHAARO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1Cl ZINC000038095406 174108638 /nfs/dbraw/zinc/10/86/38/174108638.db2.gz SDMYIDDJBLPLIS-NWDGAFQWSA-N 1 0 253.773 3.560 50 0 CHAARO C[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)c1ccccc1F ZINC000040071616 174186183 /nfs/dbraw/zinc/18/61/83/174186183.db2.gz XVNKBBUKWDENTD-ABAIWWIYSA-N 1 0 291.391 3.540 50 0 CHAARO CCc1ccc(NC(=O)C[N@H+](CC(C)C)C(C)C)cc1 ZINC000040091283 174189382 /nfs/dbraw/zinc/18/93/82/174189382.db2.gz NFKUPPZTQKHNOP-UHFFFAOYSA-N 1 0 276.424 3.554 50 0 CHAARO Clc1cc(Cl)c(O[C@H]2CC[NH2+]C2)c2ccccc12 ZINC000042774522 174872957 /nfs/dbraw/zinc/87/29/57/174872957.db2.gz FXIDKJYZEJWDCH-VIFPVBQESA-N 1 0 282.170 3.887 50 0 CHAARO C[NH+](C)C[C@@H]1CCCC[C@H]1Sc1cccc(Cl)n1 ZINC000043191071 174983432 /nfs/dbraw/zinc/98/34/32/174983432.db2.gz NIKHTMIIWYEDBO-NWDGAFQWSA-N 1 0 284.856 3.948 50 0 CHAARO CC[C@@H]1CCC[C@H]([NH2+][C@@H](CC(=O)OC)c2cccs2)C1 ZINC000071113939 176034356 /nfs/dbraw/zinc/03/43/56/176034356.db2.gz ODYLXWLXXMGZFM-RDBSUJKOSA-N 1 0 295.448 3.911 50 0 CHAARO Clc1cccc(-c2nccn2CCC[NH+]2CCCC2)c1 ZINC000071499018 176192072 /nfs/dbraw/zinc/19/20/72/176192072.db2.gz BYFGXNXJKHPJQC-UHFFFAOYSA-N 1 0 289.810 3.689 50 0 CHAARO CSc1cccc([C@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000071790724 176262744 /nfs/dbraw/zinc/26/27/44/176262744.db2.gz KOFHSJIHJGOATP-AWEZNQCLSA-N 1 0 265.328 3.735 50 0 CHAARO Cc1nccn1C[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072171307 176332847 /nfs/dbraw/zinc/33/28/47/176332847.db2.gz CJLROCJWBNDUTI-IBGZPJMESA-N 1 0 297.446 3.536 50 0 CHAARO Fc1ccc([C@H]2CCCC[N@@H+]2CCc2ccccn2)cc1 ZINC000072170456 176333239 /nfs/dbraw/zinc/33/32/39/176333239.db2.gz DZVRMRQGJVPLIS-GOSISDBHSA-N 1 0 284.378 3.990 50 0 CHAARO O=C(CCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000072411276 176398561 /nfs/dbraw/zinc/39/85/61/176398561.db2.gz DTGDSCGZFTURSC-QGZVFWFLSA-N 1 0 297.398 3.694 50 0 CHAARO FC(F)(F)CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077280765 177248036 /nfs/dbraw/zinc/24/80/36/177248036.db2.gz MOKBHXNGKOHVEH-LLVKDONJSA-N 1 0 287.281 3.505 50 0 CHAARO COC(C)(C)C[C@@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC000534585997 328315210 /nfs/dbraw/zinc/31/52/10/328315210.db2.gz NBAFLWCIUVQBSP-CQSZACIVSA-N 1 0 261.409 3.777 50 0 CHAARO Cc1cccc(C)c1[C@@H](OCC[NH+](C)C)c1ccccc1 ZINC000044559816 328754431 /nfs/dbraw/zinc/75/44/31/328754431.db2.gz MDOKGWJPAAPILV-IBGZPJMESA-N 1 0 283.415 3.971 50 0 CHAARO Cc1cc(C)c(C)c(OCC[NH2+]Cc2ccccc2)c1 ZINC000002824070 333056948 /nfs/dbraw/zinc/05/69/48/333056948.db2.gz PODKYEDAHNPAGP-UHFFFAOYSA-N 1 0 269.388 3.780 50 0 CHAARO COc1ccc(CC[C@H](C)[NH2+]Cc2nc(C)cs2)cc1 ZINC000038091006 523984138 /nfs/dbraw/zinc/98/41/38/523984138.db2.gz CGXZAVWPEMGLRT-LBPRGKRZSA-N 1 0 290.432 3.571 50 0 CHAARO CCCCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccno1 ZINC000170595406 567011202 /nfs/dbraw/zinc/01/12/02/567011202.db2.gz PRXZIFJVJZTLHL-UKRRQHHQSA-N 1 0 250.386 3.903 50 0 CHAARO Clc1ccc(OC2CC[NH2+]CC2)c2ccccc12 ZINC000012137821 567862240 /nfs/dbraw/zinc/86/22/40/567862240.db2.gz FOTMVRSMVLANHI-UHFFFAOYSA-N 1 0 261.752 3.624 50 0 CHAARO Cc1cc(C)c(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042770719 567891498 /nfs/dbraw/zinc/89/14/98/567891498.db2.gz QDXMDNDDFCBIER-UHFFFAOYSA-N 1 0 267.800 3.725 50 0 CHAARO CC[C@H](C)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000042773211 567891705 /nfs/dbraw/zinc/89/17/05/567891705.db2.gz ZLCKKPQVNHWYOH-AWEZNQCLSA-N 1 0 261.409 3.969 50 0 CHAARO CC[C@@H](C)c1ccc(O[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775093 567892112 /nfs/dbraw/zinc/89/21/12/567892112.db2.gz RJAVNZAOVOORKZ-PWSUYJOCSA-N 1 0 253.773 3.594 50 0 CHAARO CC(C)c1ccc(COCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000048895424 567892836 /nfs/dbraw/zinc/89/28/36/567892836.db2.gz WJVNPDHPSXGTIF-HNNXBMFYSA-N 1 0 261.409 3.716 50 0 CHAARO CCCCCO[P@](C)(=O)OCC[NH+]1CCCCC1 ZINC000001835664 566845412 /nfs/dbraw/zinc/84/54/12/566845412.db2.gz KGXFZCNERWTLMK-SFHVURJKSA-N 1 0 277.345 3.519 50 0 CHAARO CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000084456356 566881492 /nfs/dbraw/zinc/88/14/92/566881492.db2.gz FONDVRJQMGTMBO-IBGZPJMESA-N 1 0 296.414 3.954 50 0 CHAARO C[NH+](C)C[C@H]1CCCC[C@@H]1Sc1cccc(Cl)n1 ZINC000043191069 566916504 /nfs/dbraw/zinc/91/65/04/566916504.db2.gz NIKHTMIIWYEDBO-NEPJUHHUSA-N 1 0 284.856 3.948 50 0 CHAARO Cc1ccc(C[NH2+]CCc2coc(-c3ccccc3)n2)o1 ZINC000075128317 566935711 /nfs/dbraw/zinc/93/57/11/566935711.db2.gz CLEXWAJCDKLTML-UHFFFAOYSA-N 1 0 282.343 3.575 50 0 CHAARO CN(C(N)=[NH2+])c1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000075284342 566940083 /nfs/dbraw/zinc/94/00/83/566940083.db2.gz YIURGICSUXDEDR-QINSGFPZSA-N 1 0 275.355 3.584 50 0 CHAARO CCCC[N@@H+]1CC[C@@](OC(=O)CC)(c2ccccc2)[C@@H]1C ZINC000033864861 566984673 /nfs/dbraw/zinc/98/46/73/566984673.db2.gz JWNRFLRVCDPGEC-YJBOKZPZSA-N 1 0 289.419 3.729 50 0 CHAARO Cc1sc([C@H]2CCC[NH2+]2)nc1-c1cc(F)ccc1F ZINC000170091431 567005711 /nfs/dbraw/zinc/00/57/11/567005711.db2.gz PALMWRXWPLTSNV-GFCCVEGCSA-N 1 0 280.343 3.821 50 0 CHAARO Cc1ncn(C[C@H](C)[NH2+]C2(c3ccccc3)CCC2)c1C ZINC000170067280 567005941 /nfs/dbraw/zinc/00/59/41/567005941.db2.gz FIXNBFCQYNWWRX-AWEZNQCLSA-N 1 0 283.419 3.557 50 0 CHAARO CCCCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccno1 ZINC000170595405 567012022 /nfs/dbraw/zinc/01/20/22/567012022.db2.gz PRXZIFJVJZTLHL-ZFWWWQNUSA-N 1 0 250.386 3.903 50 0 CHAARO C[C@H](CC[N@@H+]1CCC[C@H](c2cn[nH]c2)C1)c1ccccc1 ZINC000170607045 567013467 /nfs/dbraw/zinc/01/34/67/567013467.db2.gz SSIIDAABHMNGBG-WBVHZDCISA-N 1 0 283.419 3.783 50 0 CHAARO CC[C@H]([NH2+]Cc1cccnc1)c1ccc(OC(F)F)cc1 ZINC000089947820 567029216 /nfs/dbraw/zinc/02/92/16/567029216.db2.gz LEKLIHAZYSBIDE-HNNXBMFYSA-N 1 0 292.329 3.924 50 0 CHAARO COc1cccc2cc([C@H](C)[NH2+]CCc3ccccn3)oc21 ZINC000089904626 567030852 /nfs/dbraw/zinc/03/08/52/567030852.db2.gz XFENJZSDFKBCJU-ZDUSSCGKSA-N 1 0 296.370 3.730 50 0 CHAARO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000090221400 567032925 /nfs/dbraw/zinc/03/29/25/567032925.db2.gz CADFGZXNISJCCV-HXPMCKFVSA-N 1 0 293.457 3.645 50 0 CHAARO CC[C@@H](C)[NH2+]CCOc1cc(C)c(Cl)c(C)c1 ZINC000002825435 567037404 /nfs/dbraw/zinc/03/74/04/567037404.db2.gz GTIOHYPLRXLKGW-GFCCVEGCSA-N 1 0 255.789 3.724 50 0 CHAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000252489058 567058772 /nfs/dbraw/zinc/05/87/72/567058772.db2.gz JEDFGUIVWXBHLE-CYBMUJFWSA-N 1 0 271.408 3.505 50 0 CHAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000253422848 567098315 /nfs/dbraw/zinc/09/83/15/567098315.db2.gz CVQDQMKBXYWZOO-ZDUSSCGKSA-N 1 0 271.408 3.505 50 0 CHAARO CCC[C@]12CC[C@H]3c4ccc(O)cc4CC[N@@H+]3[C@H]1CCC2=O ZINC000261361526 567118748 /nfs/dbraw/zinc/11/87/48/567118748.db2.gz KKAVQDMECOIUDA-LNLFQRSKSA-N 1 0 299.414 3.603 50 0 CHAARO Cc1ccccc1[C@@H]([NH2+]Cc1ncc[nH]1)C(C)(C)C ZINC000080347436 567129437 /nfs/dbraw/zinc/12/94/37/567129437.db2.gz RJOQDENIAXTRHU-OAHLLOKOSA-N 1 0 257.381 3.595 50 0 CHAARO Cc1cc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c(C)s1 ZINC000095422601 567130618 /nfs/dbraw/zinc/13/06/18/567130618.db2.gz KPJPXWRRBNRULJ-VOJFVSQTSA-N 1 0 287.494 3.563 50 0 CHAARO C[C@@H]([NH2+]CCc1ccccc1F)c1cccnc1Cl ZINC000095419368 567130876 /nfs/dbraw/zinc/13/08/76/567130876.db2.gz NJTYQHWSUCRCJZ-LLVKDONJSA-N 1 0 278.758 3.767 50 0 CHAARO C[C@@H](CC[C@H]1CCCO1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415436 567131753 /nfs/dbraw/zinc/13/17/53/567131753.db2.gz APIFIPSYFVBPMC-GXTWGEPZSA-N 1 0 294.464 3.848 50 0 CHAARO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000095423669 567132175 /nfs/dbraw/zinc/13/21/75/567132175.db2.gz KHKBYMOIQGQANP-ZDUSSCGKSA-N 1 0 272.392 3.883 50 0 CHAARO C[NH+](C)C[C@@H](CCOc1ccccc1)c1ccccc1 ZINC000096027138 567138491 /nfs/dbraw/zinc/13/84/91/567138491.db2.gz BIXXIEVJZJDCAP-QGZVFWFLSA-N 1 0 269.388 3.801 50 0 CHAARO CCCC[N@H+](C)CCNc1cccc2ccccc21 ZINC000096026727 567139271 /nfs/dbraw/zinc/13/92/71/567139271.db2.gz GVINVNUBPWQGJG-UHFFFAOYSA-N 1 0 256.393 3.984 50 0 CHAARO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2ccncc2)c1 ZINC000097038870 567144025 /nfs/dbraw/zinc/14/40/25/567144025.db2.gz PLFMPQLKSISHJS-AWEZNQCLSA-N 1 0 269.392 3.625 50 0 CHAARO CCCC[C@@H](CC)C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000002647024 567151158 /nfs/dbraw/zinc/15/11/58/567151158.db2.gz KYRXGNDXTRQLMI-IAGOWNOFSA-N 1 0 293.451 3.541 50 0 CHAARO c1ccc(COCCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000230185083 567160381 /nfs/dbraw/zinc/16/03/81/567160381.db2.gz QTKDBLKBFNDMTE-ZWKOTPCHSA-N 1 0 273.420 3.858 50 0 CHAARO C[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)c1ccc(Cl)cc1 ZINC000003172188 567163654 /nfs/dbraw/zinc/16/36/54/567163654.db2.gz ANDVCSYZBRZFJU-UKRRQHHQSA-N 1 0 295.810 3.617 50 0 CHAARO Cc1nccn1CC[C@@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000670454136 567181706 /nfs/dbraw/zinc/18/17/06/567181706.db2.gz QTSRZTQBUHETGB-OAHLLOKOSA-N 1 0 283.419 3.557 50 0 CHAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2o1 ZINC000670466674 567194108 /nfs/dbraw/zinc/19/41/08/567194108.db2.gz QCVPWIGXNZDJKS-FICVDOATSA-N 1 0 271.360 3.575 50 0 CHAARO C[NH+](C)CC[C@](O)(c1ccccc1)c1ccccc1Cl ZINC000000057254 567817086 /nfs/dbraw/zinc/81/70/86/567817086.db2.gz WRCHFMBCVFFYEQ-KRWDZBQOSA-N 1 0 289.806 3.528 50 0 fda CHAARO Cc1ccccc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000000316599 567825179 /nfs/dbraw/zinc/82/51/79/567825179.db2.gz VMDLIFRQLWRGLP-UHFFFAOYSA-N 1 0 286.463 3.835 50 0 CHAARO O[C@@]1(c2ccccc2)c2ccccc2[NH+]=C2CCCCCN21 ZINC000000482089 567832643 /nfs/dbraw/zinc/83/26/43/567832643.db2.gz HRVYRYGFPZSANZ-IBGZPJMESA-N 1 0 292.382 3.800 50 0 CHAARO COc1cc(C)c(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000000757755 567834684 /nfs/dbraw/zinc/83/46/84/567834684.db2.gz VOCITIISMLBSFE-CHWSQXEVSA-N 1 0 261.409 3.790 50 0 CHAARO CCC[NH2+]Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000002181833 567845231 /nfs/dbraw/zinc/84/52/31/567845231.db2.gz GEJFQSXDLGEVCO-UHFFFAOYSA-N 1 0 262.180 3.892 50 0 CHAARO Cc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000002380258 567845620 /nfs/dbraw/zinc/84/56/20/567845620.db2.gz WCTSRWDGSJARLG-UHFFFAOYSA-N 1 0 264.372 3.809 50 0 biogenic CHAARO C[N@H+](CC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000003278410 567851957 /nfs/dbraw/zinc/85/19/57/567851957.db2.gz QDPUSCWLCUYLJQ-UHFFFAOYSA-N 1 0 280.799 3.543 50 0 CHAARO Cc1sc([C@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000003708661 567853565 /nfs/dbraw/zinc/85/35/65/567853565.db2.gz XYPLJIPSPRVZHJ-ZETCQYMHSA-N 1 0 252.770 3.792 50 0 CHAARO Brc1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000003734894 567853626 /nfs/dbraw/zinc/85/36/26/567853626.db2.gz SNRBUTFTTGDGDW-LBPRGKRZSA-N 1 0 254.171 3.654 50 0 CHAARO CCC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010363771 567861496 /nfs/dbraw/zinc/86/14/96/567861496.db2.gz KMSROQSCVAVPLF-OAHLLOKOSA-N 1 0 288.435 3.591 50 0 CHAARO CCOc1c(C[NH2+]C(C)(C)C)cc(Cl)cc1OC ZINC000010436523 567861654 /nfs/dbraw/zinc/86/16/54/567861654.db2.gz FHIRSTXYTJYEQJ-UHFFFAOYSA-N 1 0 271.788 3.635 50 0 CHAARO CC[N@@H+]1CCC[C@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000012200643 567862614 /nfs/dbraw/zinc/86/26/14/567862614.db2.gz ONPQTTYHSFYLBK-HNNXBMFYSA-N 1 0 273.420 3.899 50 0 CHAARO OCC1(CCCc2ccccc2)CC[NH+](C2CCC2)CC1 ZINC000012713626 567864124 /nfs/dbraw/zinc/86/41/24/567864124.db2.gz QSEKRBGVSGEOLT-UHFFFAOYSA-N 1 0 287.447 3.636 50 0 CHAARO C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000013511523 567866466 /nfs/dbraw/zinc/86/64/66/567866466.db2.gz KRIROHZWSALYAG-MHGIMSBQSA-N 1 0 279.383 3.914 50 0 CHAARO c1ccc2cc(OCC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000014632380 567869396 /nfs/dbraw/zinc/86/93/96/567869396.db2.gz ZWOFPTCLPBLWBL-AWEZNQCLSA-N 1 0 255.361 3.608 50 0 CHAARO c1ccc(Oc2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631726 567869505 /nfs/dbraw/zinc/86/95/05/567869505.db2.gz JLOHZNPPAVOVTQ-KRWDZBQOSA-N 1 0 269.344 3.610 50 0 CHAARO CC(C)(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000014632372 567869591 /nfs/dbraw/zinc/86/95/91/567869591.db2.gz XZONYLGJBZSYHK-CQSZACIVSA-N 1 0 261.409 3.753 50 0 CHAARO c1cc2c(cccc2C[NH2+]CCc2ccccc2)[nH]1 ZINC000015423506 567870660 /nfs/dbraw/zinc/87/06/60/567870660.db2.gz LXRFWIPPPOAGEN-UHFFFAOYSA-N 1 0 250.345 3.500 50 0 biogenic CHAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000016695699 567873616 /nfs/dbraw/zinc/87/36/16/567873616.db2.gz HQVRDTIOJOQVGL-HNNXBMFYSA-N 1 0 295.810 3.971 50 0 CHAARO CCc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019359630 567877125 /nfs/dbraw/zinc/87/71/25/567877125.db2.gz KBQRNTCAIKTVIE-IBGZPJMESA-N 1 0 298.474 3.723 50 0 CHAARO C(=C/c1ccccc1)\CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019633526 567877887 /nfs/dbraw/zinc/87/78/87/567877887.db2.gz FTEDVCXDKFKGRP-BESKYLIDSA-N 1 0 296.458 3.674 50 0 CHAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C[C@H]3CC=CCC3)CC2)C1 ZINC000019900121 567879470 /nfs/dbraw/zinc/87/94/70/567879470.db2.gz PRIBEPJSCZVEBS-SQNIBIBYSA-N 1 0 276.468 3.539 50 0 CHAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000019882212 567879609 /nfs/dbraw/zinc/87/96/09/567879609.db2.gz ROSKTXKLTYIKJN-ZJUUUORDSA-N 1 0 256.187 3.898 50 0 CHAARO CCC(C)(C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019880219 567879725 /nfs/dbraw/zinc/87/97/25/567879725.db2.gz FRYNFYZYTSWNNS-UHFFFAOYSA-N 1 0 274.177 3.866 50 0 CHAARO CCC[NH+]1CCC(Nc2ccccc2SC)CC1 ZINC000023549753 567881831 /nfs/dbraw/zinc/88/18/31/567881831.db2.gz KOKRWZVKUGTTPC-UHFFFAOYSA-N 1 0 264.438 3.695 50 0 CHAARO CCCC(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662474 567883660 /nfs/dbraw/zinc/88/36/60/567883660.db2.gz XRUFVMGLPUESBT-CQSZACIVSA-N 1 0 294.464 3.582 50 0 CHAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029482549 567884530 /nfs/dbraw/zinc/88/45/30/567884530.db2.gz OYEJRESJVGFPIJ-SFHVURJKSA-N 1 0 294.398 3.553 50 0 CHAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C)o2)cc1 ZINC000030640824 567884807 /nfs/dbraw/zinc/88/48/07/567884807.db2.gz MVJIWSGBQFMRNG-ZDUSSCGKSA-N 1 0 286.375 3.787 50 0 CHAARO Cc1cc(C)n(-c2cccc(-c3ccc(C[NH3+])cc3)c2)n1 ZINC000032573363 567885953 /nfs/dbraw/zinc/88/59/53/567885953.db2.gz XRGQENWUCCDYMC-UHFFFAOYSA-N 1 0 277.371 3.615 50 0 CHAARO CSc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000072304848 567886303 /nfs/dbraw/zinc/88/63/03/567886303.db2.gz BXKBOZVPCJEGNY-CYBMUJFWSA-N 1 0 265.422 3.662 50 0 CHAARO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000000486028 567888004 /nfs/dbraw/zinc/88/80/04/567888004.db2.gz CZSIMASWFULERI-QGZVFWFLSA-N 1 0 252.361 3.809 50 0 biogenic CHAARO Cc1cccc(C)c1OCCC[NH+]1CCC(C)CC1 ZINC000003633583 567888152 /nfs/dbraw/zinc/88/81/52/567888152.db2.gz AZMNRWAJXZYMEX-UHFFFAOYSA-N 1 0 261.409 3.804 50 0 CHAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000004012343 567888211 /nfs/dbraw/zinc/88/82/11/567888211.db2.gz BPSBHMXEIGURBC-KFWWJZLASA-N 1 0 299.336 3.661 50 0 CHAARO O=C(CC[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004006763 567888397 /nfs/dbraw/zinc/88/83/97/567888397.db2.gz SQJMUKJHIWFEFN-UHFFFAOYSA-N 1 0 275.436 3.648 50 0 CHAARO O=C(C[NH2+]Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003897123 567888438 /nfs/dbraw/zinc/88/84/38/567888438.db2.gz QVYNJEKIYOVTPN-UHFFFAOYSA-N 1 0 283.415 3.562 50 0 CHAARO Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@@H](C[NH3+])C2 ZINC000166913936 567888694 /nfs/dbraw/zinc/88/86/94/567888694.db2.gz WBTNRMHSXCWUEO-CQSZACIVSA-N 1 0 273.763 3.578 50 0 CHAARO CC(C)c1cc(Br)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042774620 567891511 /nfs/dbraw/zinc/89/15/11/567891511.db2.gz VPJVHCDVELAAPN-GFCCVEGCSA-N 1 0 298.224 3.703 50 0 CHAARO Cc1cc(OCC[C@H]2CCC[NH2+]C2)cc(C)c1Cl ZINC000042772960 567891691 /nfs/dbraw/zinc/89/16/91/567891691.db2.gz VXDXFCFJOMHODC-CYBMUJFWSA-N 1 0 267.800 3.725 50 0 CHAARO Cc1cc(Br)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042773790 567891716 /nfs/dbraw/zinc/89/17/16/567891716.db2.gz CORVFSZBCFMOHE-GFCCVEGCSA-N 1 0 298.224 3.526 50 0 CHAARO CCc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770887 567891738 /nfs/dbraw/zinc/89/17/38/567891738.db2.gz HNQSJFINTLICAE-CYBMUJFWSA-N 1 0 267.800 3.671 50 0 CHAARO CC[C@H](C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773218 567891751 /nfs/dbraw/zinc/89/17/51/567891751.db2.gz QRBPPUWAVHFXJH-GJZGRUSLSA-N 1 0 261.409 3.969 50 0 CHAARO Cc1cc(OC[C@@H]2CC[NH2+]C2)c(Cl)c(C)c1Cl ZINC000042773717 567891780 /nfs/dbraw/zinc/89/17/80/567891780.db2.gz FNHFWHBWYGFVLF-SNVBAGLBSA-N 1 0 274.191 3.599 50 0 CHAARO CC[C@H](C)c1cc(Cl)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042775396 567891905 /nfs/dbraw/zinc/89/19/05/567891905.db2.gz GHPIVTYDLTZREQ-AAEUAGOBSA-N 1 0 267.800 3.984 50 0 CHAARO CC[C@H](C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775041 567892081 /nfs/dbraw/zinc/89/20/81/567892081.db2.gz RDXNLUDUYXGEEU-WCQYABFASA-N 1 0 267.800 3.984 50 0 CHAARO CC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1OC ZINC000004599178 567892383 /nfs/dbraw/zinc/89/23/83/567892383.db2.gz CQTFZTDHZRMZOW-UHFFFAOYSA-N 1 0 285.387 3.726 50 0 CHAARO Cc1ccc(NC(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000058082781 567895450 /nfs/dbraw/zinc/89/54/50/567895450.db2.gz RWZYDPUHHMBCOW-UHFFFAOYSA-N 1 0 283.375 3.701 50 0 CHAARO CC/C=C(\C)C[N@H+](CCCO)Cc1ccc(C)s1 ZINC000063847801 567897581 /nfs/dbraw/zinc/89/75/81/567897581.db2.gz YBZYCQMMTNQMRX-AWNIVKPZSA-N 1 0 267.438 3.597 50 0 CHAARO c1ccc(CC[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000065375405 567898774 /nfs/dbraw/zinc/89/87/74/567898774.db2.gz QDLXHUKWERFADR-UHFFFAOYSA-N 1 0 266.388 3.504 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000065453652 567898961 /nfs/dbraw/zinc/89/89/61/567898961.db2.gz SDPKZBDAMAWMGJ-YPDDLIOESA-N 1 0 256.349 3.771 50 0 CHAARO CCn1cc(-c2cccc([C@H](C)[NH+](C)C)c2)c(C)n1 ZINC000065456386 567899023 /nfs/dbraw/zinc/89/90/23/567899023.db2.gz SHROKEYPIIOAIK-ZDUSSCGKSA-N 1 0 257.381 3.501 50 0 CHAARO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)c(C)c1C ZINC000065429817 567899277 /nfs/dbraw/zinc/89/92/77/567899277.db2.gz GIVSZZCCKXCVCK-HNNXBMFYSA-N 1 0 284.403 3.900 50 0 CHAARO Cc1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c[nH]1 ZINC000065488671 567899630 /nfs/dbraw/zinc/89/96/30/567899630.db2.gz IKUBSQQMHHUEJX-CYBMUJFWSA-N 1 0 269.392 3.932 50 0 CHAARO Cc1ccsc1C[NH2+]Cc1nc2c(ccc(C)c2C)[nH]1 ZINC000067694879 567899961 /nfs/dbraw/zinc/89/99/61/567899961.db2.gz KTNMJQIGBSNCTC-UHFFFAOYSA-N 1 0 285.416 3.839 50 0 CHAARO Cc1ccsc1C[N@@H+]1CC[C@@](C)(O)[C@@H](CC(C)C)C1 ZINC000067833680 567900460 /nfs/dbraw/zinc/90/04/60/567900460.db2.gz YRDPHQSQASGSKU-GOEBONIOSA-N 1 0 281.465 3.676 50 0 CHAARO CSc1ccc(-c2nccn2C[C@@H]2CCCOC2)cc1 ZINC000071754681 567901760 /nfs/dbraw/zinc/90/17/60/567901760.db2.gz BPTZYOCOAVBIAA-ZDUSSCGKSA-N 1 0 288.416 3.699 50 0 CHAARO Fc1ccc([C@@H]2CC[N@H+](Cc3ccsc3)C2)cc1 ZINC000072424691 567902581 /nfs/dbraw/zinc/90/25/81/567902581.db2.gz MZSIFJPAYOCIJZ-CQSZACIVSA-N 1 0 261.365 3.877 50 0 CHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)o1 ZINC000072426282 567902645 /nfs/dbraw/zinc/90/26/45/567902645.db2.gz NYINODKBOAJIBR-QGZVFWFLSA-N 1 0 297.398 3.612 50 0 CHAARO Cc1ccc([C@H]([NH2+]Cc2cnn(C)c2)c2cccs2)cc1 ZINC000097123794 567904404 /nfs/dbraw/zinc/90/44/04/567904404.db2.gz CEUUJAIUNNTZLK-KRWDZBQOSA-N 1 0 297.427 3.669 50 0 CHAARO CSc1ccc(-c2ccc(C[NH+](C)C)cn2)cc1 ZINC000097515165 567910389 /nfs/dbraw/zinc/91/03/89/567910389.db2.gz UXLBYQOFFUAEIN-UHFFFAOYSA-N 1 0 258.390 3.532 50 0 CHAARO Cc1[nH+]c(CN2CC[C@@H]2c2ccc(F)cc2)c2ccccn12 ZINC000102534588 567915363 /nfs/dbraw/zinc/91/53/63/567915363.db2.gz PCKOBNGFGONWGE-QGZVFWFLSA-N 1 0 295.361 3.729 50 0 CHAARO c1cc(Nc2ncnc3sc4c(c32)CCCC4)cc[nH+]1 ZINC000000198596 567924977 /nfs/dbraw/zinc/92/49/77/567924977.db2.gz MKOIGXNFXWPEKR-UHFFFAOYSA-N 1 0 282.372 3.709 50 0 CHAARO COc1ccc([C@@H]([NH2+]Cc2cccc(F)n2)C(C)C)cc1 ZINC000408513780 567927678 /nfs/dbraw/zinc/92/76/78/567927678.db2.gz CVWYYMRHWGKSSO-KRWDZBQOSA-N 1 0 288.366 3.716 50 0 CHAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1Oc1ccccc1)c1cnccn1 ZINC000253370246 567930528 /nfs/dbraw/zinc/93/05/28/567930528.db2.gz OENMATXWESJNRB-YXJHDRRASA-N 1 0 297.402 3.517 50 0 CHAARO CC(=O)NC1CC[NH+]([C@H](C)c2cccc3ccccc32)CC1 ZINC000050989645 567930963 /nfs/dbraw/zinc/93/09/63/567930963.db2.gz FDRRCBNDSBSBRB-CQSZACIVSA-N 1 0 296.414 3.501 50 0 CHAARO CCC1CCC([N@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000000213461 567935600 /nfs/dbraw/zinc/93/56/00/567935600.db2.gz XJSQKDSUIQYAFJ-PREGVCBESA-N 1 0 261.409 3.621 50 0 CHAARO CC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000000278358 567935992 /nfs/dbraw/zinc/93/59/92/567935992.db2.gz AVAJAEQSXCBOJE-UHFFFAOYSA-N 1 0 255.361 3.717 50 0 CHAARO c1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2CO3)cc1 ZINC000000538914 567936162 /nfs/dbraw/zinc/93/61/62/567936162.db2.gz PDFNQFKOWIQHLD-UHFFFAOYSA-N 1 0 294.398 3.621 50 0 CHAARO CCc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004675745 567938332 /nfs/dbraw/zinc/93/83/32/567938332.db2.gz UMGKQDZRXXKKSE-UHFFFAOYSA-N 1 0 280.415 3.571 50 0 CHAARO C[C@@H]([NH3+])c1cccc(Br)c1OCC(C)(F)F ZINC000585662247 567938837 /nfs/dbraw/zinc/93/88/37/567938837.db2.gz QJEGAWYSFLPVFG-SSDOTTSWSA-N 1 0 294.139 3.503 50 0 CHAARO c1c(-c2ccccc2)n2c([n+]1-c1ccccc1)SCC2 ZINC000018194810 567940613 /nfs/dbraw/zinc/94/06/13/567940613.db2.gz OQMQLNPOJXQEDN-UHFFFAOYSA-N 1 0 279.388 3.538 50 0 CHAARO Cc1cc(C)c(C[NH2+][C@H](C)c2nnc3ccccn32)c(C)c1 ZINC000015593800 567944065 /nfs/dbraw/zinc/94/40/65/567944065.db2.gz DTWXSAVLINWTFK-OAHLLOKOSA-N 1 0 294.402 3.505 50 0 CHAARO CC(C)n1cncc1C[N@H+](C)CCn1ccc2ccccc21 ZINC000216181836 567947625 /nfs/dbraw/zinc/94/76/25/567947625.db2.gz NKAKFAZGWHOIGW-UHFFFAOYSA-N 1 0 296.418 3.551 50 0 CHAARO COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(O)c3)oc21 ZINC000058169170 567948463 /nfs/dbraw/zinc/94/84/63/567948463.db2.gz HGEAMNDMGQPFCJ-GFCCVEGCSA-N 1 0 297.354 3.998 50 0 CHAARO Fc1ccc([C@H](OC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000038527505 567951167 /nfs/dbraw/zinc/95/11/67/567951167.db2.gz DTPGQEJIMZFSOC-GOSISDBHSA-N 1 0 285.362 3.684 50 0 CHAARO C[N@@H+](CCc1ccccn1)CCC1CCCCCC1 ZINC000225423148 567953490 /nfs/dbraw/zinc/95/34/90/567953490.db2.gz QPRPWKHVEVIBTO-UHFFFAOYSA-N 1 0 260.425 3.916 50 0 CHAARO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1[nH]cnc1C ZINC000055359416 570242833 /nfs/dbraw/zinc/24/28/33/570242833.db2.gz ITUVYRWOBVVCGP-NSHDSACASA-N 1 0 263.410 3.580 50 0 CHAARO C[C@@H]1CCCC[C@H]1[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000032777678 570221856 /nfs/dbraw/zinc/22/18/56/570221856.db2.gz CJQIVLRRDCRIRZ-GDBMZVCRSA-N 1 0 274.408 3.526 50 0 CHAARO CCSCC[N@H+](Cc1ccc(CO)o1)C1CCCCC1 ZINC000055090971 570240187 /nfs/dbraw/zinc/24/01/87/570240187.db2.gz ILKDWXZGFZZCHF-UHFFFAOYSA-N 1 0 297.464 3.660 50 0 CHAARO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1cccc(O)c1 ZINC000055099108 570240418 /nfs/dbraw/zinc/24/04/18/570240418.db2.gz DPAGHYMEWIWBSW-AWEZNQCLSA-N 1 0 270.376 3.588 50 0 CHAARO Cc1ccsc1C[N@H+](Cc1cnc[nH]1)C1CCCC1 ZINC000055089384 570240492 /nfs/dbraw/zinc/24/04/92/570240492.db2.gz DQUZYUXKDGWMOF-UHFFFAOYSA-N 1 0 275.421 3.724 50 0 CHAARO c1coc(C[NH2+]CCOc2ccc3ccccc3c2)c1 ZINC000003460899 570278968 /nfs/dbraw/zinc/27/89/68/570278968.db2.gz VAIZTFPUWIDUMA-UHFFFAOYSA-N 1 0 267.328 3.601 50 0 CHAARO Nc1ncccc1C[N@@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000215128705 570302464 /nfs/dbraw/zinc/30/24/64/570302464.db2.gz AWNUNOMNQZSAMF-QGZVFWFLSA-N 1 0 299.393 3.920 50 0 CHAARO Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)n1 ZINC000215800323 570304210 /nfs/dbraw/zinc/30/42/10/570304210.db2.gz YZMTYPLJNLWPEV-LJQANCHMSA-N 1 0 295.430 3.772 50 0 CHAARO C[N@H+](Cc1cc(Cl)ccc1F)[C@H]1CCOC(C)(C)C1 ZINC000215817099 570304290 /nfs/dbraw/zinc/30/42/90/570304290.db2.gz PRNBXJNZIICLAH-ZDUSSCGKSA-N 1 0 285.790 3.869 50 0 CHAARO Cc1ccc2ncccc2c1C[N@H+]1CC=C[C@@H]1C(C)C ZINC000216511499 570305531 /nfs/dbraw/zinc/30/55/31/570305531.db2.gz RKBZUUYQGFMMHL-GOSISDBHSA-N 1 0 266.388 3.940 50 0 CHAARO C[N@H+](CCc1ccccn1)Cc1ccc(C(F)(F)F)cc1 ZINC000023115277 570310530 /nfs/dbraw/zinc/31/05/30/570310530.db2.gz QOYVDVRMMSDUFV-UHFFFAOYSA-N 1 0 294.320 3.775 50 0 CHAARO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229571504 570316662 /nfs/dbraw/zinc/31/66/62/570316662.db2.gz SGGPQDFATTWKIN-JHJVBQTASA-N 1 0 294.826 3.645 50 0 CHAARO Cc1nc(CC[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000244701179 570321082 /nfs/dbraw/zinc/32/10/82/570321082.db2.gz KBPKCDYTUSBBHN-OAHLLOKOSA-N 1 0 276.380 3.580 50 0 CHAARO C[NH+](C)CCCn1c2ccccc2c2ccccc21 ZINC000002035124 570326816 /nfs/dbraw/zinc/32/68/16/570326816.db2.gz YSZTZAYSHQJVQU-UHFFFAOYSA-N 1 0 252.361 3.746 50 0 CHAARO CCc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)cc1 ZINC000083429009 570332262 /nfs/dbraw/zinc/33/22/62/570332262.db2.gz DAMHAVGMANRBDQ-UHFFFAOYSA-N 1 0 257.352 3.986 50 0 CHAARO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1cncc(F)c1 ZINC000089520259 570348438 /nfs/dbraw/zinc/34/84/38/570348438.db2.gz NLUPGGYRZZOFBH-SNVBAGLBSA-N 1 0 296.292 3.673 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119208 570362498 /nfs/dbraw/zinc/36/24/98/570362498.db2.gz RHYQFWXQSWYBTH-HNNXBMFYSA-N 1 0 275.371 3.734 50 0 CHAARO Cn1cccc1C[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000089917934 570370956 /nfs/dbraw/zinc/37/09/56/570370956.db2.gz NJEFZUUWYOFUQN-HNNXBMFYSA-N 1 0 288.366 3.556 50 0 CHAARO C[C@H](CC[NH2+][C@@H](C)c1cc2ccccc2s1)[S@](C)=O ZINC000252585096 570375409 /nfs/dbraw/zinc/37/54/09/570375409.db2.gz GDCSINLGACWXJI-UFYHVXEKSA-N 1 0 295.473 3.709 50 0 CHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000000280001 570382811 /nfs/dbraw/zinc/38/28/11/570382811.db2.gz XGRCNMHFPNLYAF-HUUCEWRRSA-N 1 0 276.399 3.526 50 0 CHAARO CC[C@H](C)[C@@H]([NH2+]Cc1nccn1C)c1ccc(Cl)cc1 ZINC000253417912 570385364 /nfs/dbraw/zinc/38/53/64/570385364.db2.gz NIKWKRILYGAPOL-BLLLJJGKSA-N 1 0 291.826 3.951 50 0 CHAARO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N2CCCC2=O)cc1 ZINC000079064276 570396575 /nfs/dbraw/zinc/39/65/75/570396575.db2.gz SEDKIYSEGBUOIX-HZPDHXFCSA-N 1 0 298.430 3.820 50 0 CHAARO Cc1nccn1CCC[N@@H+](C)Cc1[nH]c2ccccc2c1C ZINC000670452342 570400637 /nfs/dbraw/zinc/40/06/37/570400637.db2.gz HBGDGIZNJOXNGC-UHFFFAOYSA-N 1 0 296.418 3.503 50 0 CHAARO COc1ccc(-c2cnc(C[NH+]3CCC(C)CC3)o2)cc1 ZINC000041362377 570403626 /nfs/dbraw/zinc/40/36/26/570403626.db2.gz SNFHJYJSKGFFJX-UHFFFAOYSA-N 1 0 286.375 3.582 50 0 CHAARO CC[N@@H+](Cc1ccc(C)c2ncccc12)C[C@@H]1CCCCO1 ZINC000952987294 615068040 /nfs/dbraw/zinc/06/80/40/615068040.db2.gz LFGFZGAQDVIGOX-KRWDZBQOSA-N 1 0 298.430 3.934 50 0 CHAARO CC[C@@H]1C=CC[N@@H+]1Cc1c[nH]nc1-c1cc(C)ccc1C ZINC000952970418 615551140 /nfs/dbraw/zinc/55/11/40/615551140.db2.gz AFQVCMMWLJJPSU-MRXNPFEDSA-N 1 0 281.403 3.844 50 0 CHAARO CC[C@H]([NH2+]Cc1cnc(SC)nc1)c1cccs1 ZINC000952982753 615819307 /nfs/dbraw/zinc/81/93/07/615819307.db2.gz QRHNVBNYZZMTSP-NSHDSACASA-N 1 0 279.434 3.501 50 0 CHAARO Cc1ncsc1C[NH2+][C@H](C)CC[C@H]1CC1(Cl)Cl ZINC000888098623 1121085164 /nfs/dbraw/zinc/08/51/64/1121085164.db2.gz LYWUKFHPZQCABQ-SCZZXKLOSA-N 1 0 293.263 3.904 50 0 CHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000249084048 1126751219 /nfs/dbraw/zinc/75/12/19/1126751219.db2.gz BAVMIBQEBOCUHJ-RFGFWPKPSA-N 1 0 291.357 3.655 50 0 CHAARO Cc1ccccc1CNc1[nH+]ccn1-c1ccccc1 ZINC000170613683 1126996521 /nfs/dbraw/zinc/99/65/21/1126996521.db2.gz HZWOSZQQURVCAU-UHFFFAOYSA-N 1 0 263.344 3.793 50 0 CHAARO Fc1ccc(CNc2[nH+]ccn2-c2ccccc2)c(F)c1 ZINC000225449336 1128164221 /nfs/dbraw/zinc/16/42/21/1128164221.db2.gz GFULFHZAJQJUJO-UHFFFAOYSA-N 1 0 285.297 3.763 50 0 CHAARO Cc1nc(CC[N@@H+]2Cc3ccccc3C3(CCC3)C2)cs1 ZINC000352363199 1128556509 /nfs/dbraw/zinc/55/65/09/1128556509.db2.gz QPJCHIHYVMXJHU-UHFFFAOYSA-N 1 0 298.455 3.932 50 0 CHAARO FC(F)(F)c1cccc([C@H]2C[NH2+]C3(CCCC3)CO2)c1 ZINC000053068180 1118456982 /nfs/dbraw/zinc/45/69/82/1118456982.db2.gz CKFGMBPAJAMQJI-CYBMUJFWSA-N 1 0 285.309 3.679 50 0 CHAARO C/C=C/c1ccc(OCCC[NH2+][C@H](C)CC)c(OC)c1 ZINC000002825039 1119045478 /nfs/dbraw/zinc/04/54/78/1119045478.db2.gz WMSMJFIAZKFKEU-LHRNQBEKSA-N 1 0 277.408 3.885 50 0 CHAARO CCCCOc1ccc(CN(C)CC[NH+](CC)CC)cc1 ZINC000019635135 1120187763 /nfs/dbraw/zinc/18/77/63/1120187763.db2.gz VLGZCERXIKDULK-UHFFFAOYSA-N 1 0 292.467 3.639 50 0 CHAARO CC(C)(C)C[C@@H]([NH2+]Cc1ccoc1)c1cccnc1 ZINC000952986676 1120210233 /nfs/dbraw/zinc/21/02/33/1120210233.db2.gz AIRLZCFXMPNHBW-OAHLLOKOSA-N 1 0 258.365 3.942 50 0 CHAARO CC[N@@H+]1C[C@@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257177052 1120290625 /nfs/dbraw/zinc/29/06/25/1120290625.db2.gz VPCZNLIOBREICF-HNNXBMFYSA-N 1 0 297.402 3.716 50 0 CHAARO c1cncc([C@@H]2CCCC[N@H+]2C[C@@H]2CC=CCC2)c1 ZINC000299872744 1120651498 /nfs/dbraw/zinc/65/14/98/1120651498.db2.gz CIBSHJVEIGZLPS-WBVHZDCISA-N 1 0 256.393 3.965 50 0 CHAARO C[C@H]([C@H](O)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000000276792 1120894723 /nfs/dbraw/zinc/89/47/23/1120894723.db2.gz PFSKVIADTYAMME-KDOFPFPSSA-N 1 0 269.388 3.748 50 0 CHAARO OCC[C@H]([NH2+]Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000888095869 1121078338 /nfs/dbraw/zinc/07/83/38/1121078338.db2.gz CSHPFJMUYMVPHU-NRFBVMONSA-N 1 0 299.458 3.744 50 0 CHAARO c1cc([C@@H]2CCCCO2)oc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000820408726 1121899204 /nfs/dbraw/zinc/89/92/04/1121899204.db2.gz KGTKTXCBWIUPBV-UXLLHSPISA-N 1 0 287.403 3.919 50 0 CHAARO CCC(=O)O[C@@]1(c2ccccc2)CC(C)(C)[N@H+](C)C[C@H]1C ZINC000822535860 1121963702 /nfs/dbraw/zinc/96/37/02/1121963702.db2.gz XFKGFNCFBQCDRO-KDOFPFPSSA-N 1 0 289.419 3.585 50 0 CHAARO CCC[C@H]1C=CC[N@@H+]1Cc1ccc2c(ccn2C)c1 ZINC000822804597 1121971327 /nfs/dbraw/zinc/97/13/27/1121971327.db2.gz JGLQCWCHXHMCPA-INIZCTEOSA-N 1 0 254.377 3.719 50 0 CHAARO CC1(C)C[N@H+](Cc2cscn2)C[C@@H]1c1ccccc1 ZINC000426503996 1122809061 /nfs/dbraw/zinc/80/90/61/1122809061.db2.gz MGNKFWJXHFHFQA-OAHLLOKOSA-N 1 0 272.417 3.769 50 0 CHAARO CCc1cccc2c(CC[NH2+]Cc3c(C)noc3C)c[nH]c21 ZINC000111397657 1123442888 /nfs/dbraw/zinc/44/28/88/1123442888.db2.gz XIPJANNCCGBDHV-UHFFFAOYSA-N 1 0 297.402 3.667 50 0 CHAARO Cc1cc(C[NH2+]Cc2cnc(Cl)s2)ccc1F ZINC000585117299 1131308903 /nfs/dbraw/zinc/30/89/03/1131308903.db2.gz XNZMQKLQHWAXCR-UHFFFAOYSA-N 1 0 270.760 3.534 50 0 CHAARO COc1ccc2[nH]c(C[NH2+][C@@H](C)CC(F)(F)F)cc2c1 ZINC000824758451 1129299930 /nfs/dbraw/zinc/29/99/30/1129299930.db2.gz DWSRTCCVNMOPTM-VIFPVBQESA-N 1 0 286.297 3.607 50 0 CHAARO O=C(C[C@H]1C=CCC1)Nc1ccccc1C[NH+]1CCCC1 ZINC000828075107 1129372804 /nfs/dbraw/zinc/37/28/04/1129372804.db2.gz LSSILCAAVZJITP-HNNXBMFYSA-N 1 0 284.403 3.577 50 0 CHAARO Cc1cnc(C2CC2)n1[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581807088 1129624779 /nfs/dbraw/zinc/62/47/79/1129624779.db2.gz BYSOKPUXDLCSAA-SFHVURJKSA-N 1 0 295.430 3.824 50 0 CHAARO CC(=O)NC1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000050989801 1129650287 /nfs/dbraw/zinc/65/02/87/1129650287.db2.gz XGMHKXTUSQAWBB-AWEZNQCLSA-N 1 0 296.414 3.501 50 0 CHAARO COc1ccccc1C[C@@H](C)[N@H+](C)CCc1ccccc1 ZINC000000757746 1129771018 /nfs/dbraw/zinc/77/10/18/1129771018.db2.gz HNFJBPDQKAZBMI-MRXNPFEDSA-N 1 0 283.415 3.801 50 0 CHAARO Clc1ccccc1OCCCCCC[NH+]1CCOCC1 ZINC000019607551 1129846136 /nfs/dbraw/zinc/84/61/36/1129846136.db2.gz WBJKGYFSWILRRH-UHFFFAOYSA-N 1 0 297.826 3.611 50 0 CHAARO CC[C@H](C)[N@H+](C/C=C/c1ccco1)Cc1cccnc1 ZINC000055252392 1130266409 /nfs/dbraw/zinc/26/64/09/1130266409.db2.gz HTXCUIXOZBEWLR-PXTSUWAFSA-N 1 0 270.376 3.989 50 0 CHAARO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1cccc2c1OCO2 ZINC000055403829 1130267386 /nfs/dbraw/zinc/26/73/86/1130267386.db2.gz OZWRGVZCCJBGGQ-AWEZNQCLSA-N 1 0 298.386 3.611 50 0 CHAARO CNc1nc(NC[C@]2(c3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000952872297 1132014429 /nfs/dbraw/zinc/01/44/29/1132014429.db2.gz NHNSKLGYOWWBNR-SFHVURJKSA-N 1 0 296.418 3.607 50 0 CHAARO Cc1cc2cc(NC(=O)[C@H](C)C[N@@H+](C)C(C)C)ccc2o1 ZINC000952873089 1132015733 /nfs/dbraw/zinc/01/57/33/1132015733.db2.gz UIULUBONNSBFSO-GFCCVEGCSA-N 1 0 288.391 3.656 50 0 CHAARO c1coc(CN2CCC([NH2+]CCC3=CCCCC3)CC2)c1 ZINC000952960105 1132016542 /nfs/dbraw/zinc/01/65/42/1132016542.db2.gz NHDGSRGEBYVJIU-UHFFFAOYSA-N 1 0 288.435 3.724 50 0 CHAARO CCCc1cn(C2CC[NH+](C3CCCCCC3)CC2)nn1 ZINC000048200662 1132573989 /nfs/dbraw/zinc/57/39/89/1132573989.db2.gz AISJEPCXNRDTMV-UHFFFAOYSA-N 1 0 290.455 3.590 50 0 CHAARO C[C@@H](c1ccccc1)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000095947920 185038455 /nfs/dbraw/zinc/03/84/55/185038455.db2.gz JXJUDOWNFXSLKZ-MAUKXSAKSA-N 1 0 296.414 3.686 50 0 CHAARO CC[C@H]([NH2+]C1CCOCC1)C(C)(C)c1ccccc1 ZINC000095968493 185046205 /nfs/dbraw/zinc/04/62/05/185046205.db2.gz STAGLHZQRMNDMT-INIZCTEOSA-N 1 0 261.409 3.511 50 0 CHAARO C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)C1CCOCC1 ZINC000095967872 185046695 /nfs/dbraw/zinc/04/66/95/185046695.db2.gz MKJHPSDRXLUJLA-CQSZACIVSA-N 1 0 291.460 3.716 50 0 CHAARO C[C@@H]([NH2+]CC1CCC1)c1ccc(-c2cncnc2)cc1 ZINC000095985830 185055476 /nfs/dbraw/zinc/05/54/76/185055476.db2.gz RZGSMLUQSYVKFN-CYBMUJFWSA-N 1 0 267.376 3.594 50 0 CHAARO Clc1cccc(Cl)c1SC1CC[NH2+]CC1 ZINC000083308927 178379974 /nfs/dbraw/zinc/37/99/74/178379974.db2.gz GIRVPGIELNQZTR-UHFFFAOYSA-N 1 0 262.205 3.838 50 0 CHAARO CCc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)nc1 ZINC000220031541 529640512 /nfs/dbraw/zinc/64/05/12/529640512.db2.gz ZAXIIHBCLKGKJA-HNNXBMFYSA-N 1 0 256.349 3.574 50 0 CHAARO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000097016966 529653085 /nfs/dbraw/zinc/65/30/85/529653085.db2.gz MNIAZBORNDDSKR-ONGXEEELSA-N 1 0 283.828 3.937 50 0 CHAARO C[NH+](C)[C@H](CNc1nccc2occc21)c1ccccc1 ZINC000089313889 179768080 /nfs/dbraw/zinc/76/80/80/179768080.db2.gz LWGHKXTWKCWQCG-OAHLLOKOSA-N 1 0 281.359 3.543 50 0 CHAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000091526293 180179147 /nfs/dbraw/zinc/17/91/47/180179147.db2.gz OOQMYSCTXXAMQM-QWHCGFSZSA-N 1 0 299.245 3.519 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)o1 ZINC000110704204 186314043 /nfs/dbraw/zinc/31/40/43/186314043.db2.gz ZZDNZXRLQJBYGM-XEZPLFJOSA-N 1 0 295.448 3.547 50 0 CHAARO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H]2CCCO[C@@H]21 ZINC000169992551 188666681 /nfs/dbraw/zinc/66/66/81/188666681.db2.gz OFROQGZJFGOMIK-JQHSSLGASA-N 1 0 298.430 3.504 50 0 CHAARO CC[C@@H](C)[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000181308335 189293291 /nfs/dbraw/zinc/29/32/91/189293291.db2.gz VTNLXFTVCDXWHM-BDAKNGLRSA-N 1 0 277.334 3.511 50 0 CHAARO Cc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)on1 ZINC000216217206 189701738 /nfs/dbraw/zinc/70/17/38/189701738.db2.gz RTTUBJJZPQWHDH-UHFFFAOYSA-N 1 0 280.371 3.544 50 0 CHAARO CC(C)(C)SCC[NH2+][C@H](c1nccs1)C1CC1 ZINC000252490265 189977443 /nfs/dbraw/zinc/97/74/43/189977443.db2.gz KNJWCLQVXXRIFK-NSHDSACASA-N 1 0 270.467 3.716 50 0 CHAARO COc1ccccc1CNc1ccc2c(c1)[nH+]c(C)n2C ZINC000000084578 169530685 /nfs/dbraw/zinc/53/06/85/169530685.db2.gz UGEBYRUWDRHAAW-UHFFFAOYSA-N 1 0 281.359 3.502 50 0 CHAARO C[n+]1ccc(/C=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000000410205 169633865 /nfs/dbraw/zinc/63/38/65/169633865.db2.gz YDRHSGATSBKWAN-NSCUHMNNSA-N 1 0 265.163 3.988 50 0 CHAARO CC[C@]1(C)C[C@H]([C@@H](CC[NH3+])c2ccccc2)CCO1 ZINC000004027696 184528865 /nfs/dbraw/zinc/52/88/65/184528865.db2.gz XFYDEOVNLBSXAJ-IXDOHACOSA-N 1 0 261.409 3.714 50 0 biogenic CHAARO C[C@@H](CC[C@@H]1CCCO1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415434 184973383 /nfs/dbraw/zinc/97/33/83/184973383.db2.gz APIFIPSYFVBPMC-JSGCOSHPSA-N 1 0 294.464 3.848 50 0 CHAARO C[C@@H]([NH3+])Cc1c[nH]c2ccc(OCc3cccs3)cc12 ZINC000002379519 169788452 /nfs/dbraw/zinc/78/84/52/169788452.db2.gz ALFGDCNSEBJYSP-LLVKDONJSA-N 1 0 286.400 3.698 50 0 in-vitro CHAARO COc1cccc(OCCCCC[NH+]2CCCCC2)c1 ZINC000002494450 169795520 /nfs/dbraw/zinc/79/55/20/169795520.db2.gz BMXXIPHCSDJUTG-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 biogenic CHAARO C[C@H]1C[C@H](C)C[NH+](CCOCCSc2ccccc2)C1 ZINC000004568468 169985116 /nfs/dbraw/zinc/98/51/16/169985116.db2.gz RHUQQLBVJSNVLJ-HOTGVXAUSA-N 1 0 293.476 3.773 50 0 CHAARO Cc1cccc(CN2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000004703438 170001796 /nfs/dbraw/zinc/00/17/96/170001796.db2.gz DBWWZNRCFBQBFE-UHFFFAOYSA-N 1 0 286.463 3.835 50 0 CHAARO Cc1ccc(C)c(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000004743753 170009891 /nfs/dbraw/zinc/00/98/91/170009891.db2.gz SNFXETNYWHPWJA-HUUCEWRRSA-N 1 0 288.435 3.610 50 0 CHAARO C[NH+](C)CCCOc1ccc(-c2ccccc2)cc1 ZINC000004842179 170028211 /nfs/dbraw/zinc/02/82/11/170028211.db2.gz ITTYRYJIHNHJBL-UHFFFAOYSA-N 1 0 255.361 3.684 50 0 in-vivo CHAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000004845253 170029685 /nfs/dbraw/zinc/02/96/85/170029685.db2.gz WORAIGZOZLJABA-STQMWFEESA-N 1 0 267.800 3.697 50 0 CHAARO C[C@@H]1CCC[N@H+](CCOc2cccc(C(F)(F)F)c2)C1 ZINC000004907452 170039944 /nfs/dbraw/zinc/03/99/44/170039944.db2.gz SFIRIVJTEQKOBT-GFCCVEGCSA-N 1 0 287.325 3.816 50 0 CHAARO C[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000004942887 170043266 /nfs/dbraw/zinc/04/32/66/170043266.db2.gz KVRNDHJOFNNVSM-UHFFFAOYSA-N 1 0 256.132 3.973 50 0 CHAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942965 170043743 /nfs/dbraw/zinc/04/37/43/170043743.db2.gz JSFOSCJNABWKJM-LLVKDONJSA-N 1 0 297.757 3.600 50 0 CHAARO C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942921 170043790 /nfs/dbraw/zinc/04/37/90/170043790.db2.gz WYFUKEPSGAJSHY-UHFFFAOYSA-N 1 0 256.132 3.973 50 0 CHAARO CCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000005019939 170056645 /nfs/dbraw/zinc/05/66/45/170056645.db2.gz LJZOLUCGMMXPBY-UHFFFAOYSA-N 1 0 294.398 3.899 50 0 CHAARO CC(C)C[NH+](Cc1nnc(-c2ccccc2)o1)CC(C)C ZINC000005031877 170058572 /nfs/dbraw/zinc/05/85/72/170058572.db2.gz KUDLZAKFQYXCGC-UHFFFAOYSA-N 1 0 287.407 3.851 50 0 CHAARO Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000005617834 170120725 /nfs/dbraw/zinc/12/07/25/170120725.db2.gz BYKGNHGDMQKYEE-MSOLQXFVSA-N 1 0 297.373 3.662 50 0 CHAARO Cc1ccc(C)c2c(=O)c(C[N@H+]3CCCC[C@H]3C)c(C)[nH]c12 ZINC000005800600 170141450 /nfs/dbraw/zinc/14/14/50/170141450.db2.gz REGDHZGHWTUHJC-CQSZACIVSA-N 1 0 298.430 3.828 50 0 CHAARO CC[N@H+](Cc1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC000006274629 170187451 /nfs/dbraw/zinc/18/74/51/170187451.db2.gz QXGRMXPNEYHYTE-UHFFFAOYSA-N 1 0 282.387 3.667 50 0 CHAARO CC(C)(C)[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006559917 170213156 /nfs/dbraw/zinc/21/31/56/170213156.db2.gz WJBCYXKPTXCWKA-UHFFFAOYSA-N 1 0 296.414 3.604 50 0 CHAARO Clc1ccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000006584828 170216435 /nfs/dbraw/zinc/21/64/35/170216435.db2.gz XIOLXLZPIDJCEY-CHWSQXEVSA-N 1 0 280.824 3.844 50 0 CHAARO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000006604168 170218309 /nfs/dbraw/zinc/21/83/09/170218309.db2.gz HJCZAXHJTSFZEY-RISCZKNCSA-N 1 0 294.826 3.755 50 0 CHAARO C[NH+](C)Cc1ccc(F)cc1Sc1cccc(O)c1 ZINC000006637795 170220971 /nfs/dbraw/zinc/22/09/71/170220971.db2.gz RHRXXZQYCHIAGM-UHFFFAOYSA-N 1 0 277.364 3.744 50 0 CHAARO [NH3+]CC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006645473 170222048 /nfs/dbraw/zinc/22/20/48/170222048.db2.gz DCSAIHCINAREQI-OAHLLOKOSA-N 1 0 263.743 3.960 50 0 CHAARO CC(C)OCCC[NH2+]Cc1cc2ccccc2nc1Cl ZINC000006650923 170222481 /nfs/dbraw/zinc/22/24/81/170222481.db2.gz MKGQFYKCWHAXCD-UHFFFAOYSA-N 1 0 292.810 3.793 50 0 CHAARO c1ccc(CC[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000006650878 170222534 /nfs/dbraw/zinc/22/25/34/170222534.db2.gz UWGBZOSNLUFUIB-UHFFFAOYSA-N 1 0 255.405 3.643 50 0 CHAARO Oc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000006667492 170224157 /nfs/dbraw/zinc/22/41/57/170224157.db2.gz NOOGIUGNQLBQTH-UHFFFAOYSA-N 1 0 283.346 3.821 50 0 CHAARO COc1cc(C[NH2+]C2CC2)ccc1OCCc1ccccc1 ZINC000006697263 170226726 /nfs/dbraw/zinc/22/67/26/170226726.db2.gz QOOFNILHBLRVTL-UHFFFAOYSA-N 1 0 297.398 3.569 50 0 CHAARO COc1ccc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000006697599 170226768 /nfs/dbraw/zinc/22/67/68/170226768.db2.gz SMPMZTOIUDXSPD-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO C[C@H](COc1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000006795503 170244922 /nfs/dbraw/zinc/24/49/22/170244922.db2.gz VDQNNIKKGMUASA-CQSZACIVSA-N 1 0 255.361 3.703 50 0 CHAARO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000007016158 170262392 /nfs/dbraw/zinc/26/23/92/170262392.db2.gz ZBNQWVHLQLOUIA-UHFFFAOYSA-N 1 0 280.371 3.535 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000007446717 170285548 /nfs/dbraw/zinc/28/55/48/170285548.db2.gz CZTIWPIDOUMGCS-CQSZACIVSA-N 1 0 284.403 3.779 50 0 CHAARO CCOc1ccc(C[NH2+]C2CCCCC2)cc1OCC ZINC000008324852 170331499 /nfs/dbraw/zinc/33/14/99/170331499.db2.gz KLQONMZHGLCLMM-UHFFFAOYSA-N 1 0 277.408 3.906 50 0 CHAARO [NH3+][C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000008710247 170348172 /nfs/dbraw/zinc/34/81/72/170348172.db2.gz MWNJYDIIEMBKTE-ZDUSSCGKSA-N 1 0 291.276 3.630 50 0 CHAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717109 170349326 /nfs/dbraw/zinc/34/93/26/170349326.db2.gz WDVJHDBBYLHIIS-UHFFFAOYSA-N 1 0 276.355 3.620 50 0 CHAARO Cc1cccc2c(=O)c(C[N@H+]3CCC[C@@H](C)C3)c(C)[nH]c12 ZINC000008911508 170358995 /nfs/dbraw/zinc/35/89/95/170358995.db2.gz TXRBYAROTFFCQP-GFCCVEGCSA-N 1 0 284.403 3.789 50 0 CHAARO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cn2ccc(Cl)cc2n1 ZINC000009086852 170363012 /nfs/dbraw/zinc/36/30/12/170363012.db2.gz RVOOYRHXMVJKKP-TXEJJXNPSA-N 1 0 277.799 3.751 50 0 CHAARO CC[NH+](CC)Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000009911018 170389731 /nfs/dbraw/zinc/38/97/31/170389731.db2.gz LXAYMFPHIBDMKP-UHFFFAOYSA-N 1 0 278.783 3.744 50 0 CHAARO Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)cc1 ZINC000010003176 170394698 /nfs/dbraw/zinc/39/46/98/170394698.db2.gz DKLMBDNLCRYFCH-UHFFFAOYSA-N 1 0 291.398 3.983 50 0 CHAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]C(C)C ZINC000011878904 170451599 /nfs/dbraw/zinc/45/15/99/170451599.db2.gz CPPJKEJJTIJPAS-AWEZNQCLSA-N 1 0 290.455 3.615 50 0 CHAARO CC[NH+](CC)CCN(C)Cc1ccc(C(C)C)cc1 ZINC000019637366 170833089 /nfs/dbraw/zinc/83/30/89/170833089.db2.gz PJAPXAQGUUAIRH-UHFFFAOYSA-N 1 0 262.441 3.584 50 0 CHAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000019789520 170867400 /nfs/dbraw/zinc/86/74/00/170867400.db2.gz WEUUGBGZAAIOQR-QAPCUYQASA-N 1 0 290.426 3.522 50 0 CHAARO CCCCN1C(=O)C2=C(CCCC2)[C@H]1[NH2+]Cc1ccccc1 ZINC000020123872 171005712 /nfs/dbraw/zinc/00/57/12/171005712.db2.gz AZMSSTLCDUXVEG-SFHVURJKSA-N 1 0 298.430 3.615 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000020204803 171070030 /nfs/dbraw/zinc/07/00/30/171070030.db2.gz SOWNVMIIOILURD-ZIAGYGMSSA-N 1 0 255.446 3.875 50 0 CHAARO Cc1ccc(OC[C@@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000020221665 171083077 /nfs/dbraw/zinc/08/30/77/171083077.db2.gz STYRGOFVRJNGPF-CQSZACIVSA-N 1 0 261.409 3.671 50 0 CHAARO CC(C)C[C@@H](CNCc1c(F)cccc1Cl)[NH+](C)C ZINC000020564730 171253654 /nfs/dbraw/zinc/25/36/54/171253654.db2.gz YDPACEROMKCYDF-LBPRGKRZSA-N 1 0 286.822 3.545 50 0 CHAARO COC[C@@H]1CC[N@H+](CC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000020599105 171266444 /nfs/dbraw/zinc/26/64/44/171266444.db2.gz CXIIXHMPRROUHH-CQSZACIVSA-N 1 0 293.838 3.730 50 0 CHAARO C[C@H]1Cc2cc([C@@H]([NH3+])CCc3ccccc3)ccc2O1 ZINC000022078693 171352494 /nfs/dbraw/zinc/35/24/94/171352494.db2.gz VUEKMEXVKPGTAQ-GUYCJALGSA-N 1 0 267.372 3.643 50 0 CHAARO C[C@@H]1CCC[C@H]1OC[C@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000035093065 171973787 /nfs/dbraw/zinc/97/37/87/171973787.db2.gz ZLYUPXNPZUWJIQ-BZUAXINKSA-N 1 0 297.483 3.596 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257777 172088902 /nfs/dbraw/zinc/08/89/02/172088902.db2.gz CLNWRRSKWPLHBE-GHMZBOCLSA-N 1 0 276.302 3.502 50 0 CHAARO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(Br)c1 ZINC000035733359 172384697 /nfs/dbraw/zinc/38/46/97/172384697.db2.gz TZTXPIVIGYUQSH-VHSXEESVSA-N 1 0 268.198 3.898 50 0 CHAARO COc1ccc([C@@H]([NH2+]CC2CC2)c2ccccc2)cc1 ZINC000036961302 172830298 /nfs/dbraw/zinc/83/02/98/172830298.db2.gz JWZLBXNZCVKEAH-SFHVURJKSA-N 1 0 267.372 3.784 50 0 CHAARO COc1cccc2cc(C[NH2+][C@H](C)CC(C)C)oc21 ZINC000037255491 173065839 /nfs/dbraw/zinc/06/58/39/173065839.db2.gz TTZAIECUBXRAFW-GFCCVEGCSA-N 1 0 261.365 3.966 50 0 CHAARO COc1cccc2cc(C[NH2+][C@@H](C)CC(C)C)oc21 ZINC000037255493 173065959 /nfs/dbraw/zinc/06/59/59/173065959.db2.gz TTZAIECUBXRAFW-LBPRGKRZSA-N 1 0 261.365 3.966 50 0 CHAARO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1Cl ZINC000038095404 174108818 /nfs/dbraw/zinc/10/88/18/174108818.db2.gz SDMYIDDJBLPLIS-RYUDHWBXSA-N 1 0 253.773 3.560 50 0 CHAARO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000040463461 174272642 /nfs/dbraw/zinc/27/26/42/174272642.db2.gz CTFVTRWWEXZJPZ-UTUOFQBUSA-N 1 0 291.420 3.837 50 0 CHAARO N[C@@H](c1ccccc1Cl)[C@@H]([NH3+])c1ccccc1Cl ZINC000043763977 175105311 /nfs/dbraw/zinc/10/53/11/175105311.db2.gz BMALUZKOHRPBTN-KBPBESRZSA-N 1 0 281.186 3.693 50 0 CHAARO CC[C@](CC[NH+]1CCCCC1)(OC)c1ccccc1 ZINC000067340239 175773661 /nfs/dbraw/zinc/77/36/61/175773661.db2.gz KCGUBTPOOFSLPO-QGZVFWFLSA-N 1 0 261.409 3.814 50 0 CHAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ccccn2)c1 ZINC000071749642 176259782 /nfs/dbraw/zinc/25/97/82/176259782.db2.gz IGLQJQPHLOAMRU-MRXNPFEDSA-N 1 0 282.387 3.529 50 0 CHAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000071857583 176278482 /nfs/dbraw/zinc/27/84/82/176278482.db2.gz YENNJJKZVXONQV-ZDUSSCGKSA-N 1 0 271.408 3.505 50 0 CHAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccsc2)CC1 ZINC000072120775 176319421 /nfs/dbraw/zinc/31/94/21/176319421.db2.gz INFHLRQPZMJRHX-UHFFFAOYSA-N 1 0 299.439 3.871 50 0 CHAARO Oc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC000072174474 176333511 /nfs/dbraw/zinc/33/35/11/176333511.db2.gz AUAZQIXBFREGOF-SFHVURJKSA-N 1 0 296.414 3.775 50 0 CHAARO Cc1nc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)oc1C ZINC000076812079 177104849 /nfs/dbraw/zinc/10/48/49/177104849.db2.gz MOXMIWMXQQWZPD-XHDPSFHLSA-N 1 0 288.366 3.809 50 0 CHAARO FC(F)(F)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077280759 177248121 /nfs/dbraw/zinc/24/81/21/177248121.db2.gz MOKBHXNGKOHVEH-NSHDSACASA-N 1 0 287.281 3.505 50 0 CHAARO Fc1ccccc1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019688758 260114554 /nfs/dbraw/zinc/11/45/54/260114554.db2.gz HICUPXVNZAHKJG-MRXNPFEDSA-N 1 0 266.319 3.542 50 0 biogenic CHAARO CC(C)(C)CCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000225449466 262372636 /nfs/dbraw/zinc/37/26/36/262372636.db2.gz PNJSXCBUUOPOBB-UHFFFAOYSA-N 1 0 294.483 3.537 50 0 CHAARO CC(C)Cc1ccc(C[NH2+]Cc2cccc(CO)c2)cc1 ZINC000088715451 328013433 /nfs/dbraw/zinc/01/34/33/328013433.db2.gz OTBASRDHQCEDSK-UHFFFAOYSA-N 1 0 283.415 3.667 50 0 CHAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c(C)cn1 ZINC000534652625 328338366 /nfs/dbraw/zinc/33/83/66/328338366.db2.gz QROSCKSMEANXMS-INIZCTEOSA-N 1 0 296.414 3.759 50 0 CHAARO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000049801478 328378376 /nfs/dbraw/zinc/37/83/76/328378376.db2.gz LCZIIMNACKGOHL-QGZVFWFLSA-N 1 0 261.409 3.547 50 0 CHAARO Nc1[nH+]c2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000020586060 326863433 /nfs/dbraw/zinc/86/34/33/326863433.db2.gz JIOYJPRWUOKBMQ-UHFFFAOYSA-N 1 0 291.276 3.686 50 0 CHAARO Cc1noc(C)c1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129793453 329527947 /nfs/dbraw/zinc/52/79/47/329527947.db2.gz DFPONRXTYWAOFY-RYUDHWBXSA-N 1 0 290.329 3.545 50 0 CHAARO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 ZINC000096500132 533921704 /nfs/dbraw/zinc/92/17/04/533921704.db2.gz UJIQJUPLJAYXKB-KBPBESRZSA-N 1 0 287.359 3.587 50 0 CHAARO CC(C)[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1nc(C2CC2)no1 ZINC000122950178 519798920 /nfs/dbraw/zinc/79/89/20/519798920.db2.gz JSERQIRYJMGKNG-TZMCWYRMSA-N 1 0 275.396 3.590 50 0 CHAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2csc(C)n2)cc1 ZINC000041010556 523982387 /nfs/dbraw/zinc/98/23/87/523982387.db2.gz MWFUOCWZZCAKRS-GFCCVEGCSA-N 1 0 290.432 3.571 50 0 CHAARO C/C(=C\c1ccccc1)C[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000192689148 527534053 /nfs/dbraw/zinc/53/40/53/527534053.db2.gz RWKVDGSNAQPGEI-ATGUSINASA-N 1 0 297.446 3.661 50 0 CHAARO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000097016969 529200317 /nfs/dbraw/zinc/20/03/17/529200317.db2.gz MNIAZBORNDDSKR-GXSJLCMTSA-N 1 0 283.828 3.937 50 0 CHAARO CC[NH+](CC)CCN(C)Cc1ccc(Cl)cc1Cl ZINC000019636060 567877915 /nfs/dbraw/zinc/87/79/15/567877915.db2.gz ZHWBUTRZWHVIMX-UHFFFAOYSA-N 1 0 289.250 3.767 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H]1CCSc2ccccc21 ZINC000034996584 566842646 /nfs/dbraw/zinc/84/26/46/566842646.db2.gz XPZQVTMIUFGYRE-AWEZNQCLSA-N 1 0 274.389 3.618 50 0 CHAARO COc1ccccc1C1(C[NH2+]Cc2ccco2)CCCC1 ZINC000083976262 566875407 /nfs/dbraw/zinc/87/54/07/566875407.db2.gz VROGRPIXVGYCFB-UHFFFAOYSA-N 1 0 285.387 3.890 50 0 CHAARO C[C@@H]1C[N@@H+](CCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000013153574 566895358 /nfs/dbraw/zinc/89/53/58/566895358.db2.gz DFVNXPWWTNMKPT-BETUJISGSA-N 1 0 299.867 3.931 50 0 CHAARO C[n+]1ccccc1/C=C\c1ccc(Cl)c(Cl)c1 ZINC000004582438 566912283 /nfs/dbraw/zinc/91/22/83/566912283.db2.gz JBHPXIYKUOHIQM-ALCCZGGFSA-N 1 0 265.163 3.988 50 0 CHAARO CC(C)[C@H]1CCC(C[NH+](C)C)=C(Br)C1 ZINC000043199216 566917721 /nfs/dbraw/zinc/91/77/21/566917721.db2.gz PPCIXCMMVWOYEH-JTQLQIEISA-N 1 0 260.219 3.653 50 0 CHAARO CCCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000239046643 566965784 /nfs/dbraw/zinc/96/57/84/566965784.db2.gz FVGXVARSBZSODC-NSNWQYSKSA-N 1 0 292.467 3.706 50 0 CHAARO CCCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000239046642 566966011 /nfs/dbraw/zinc/96/60/11/566966011.db2.gz FVGXVARSBZSODC-BQGCOEIASA-N 1 0 292.467 3.706 50 0 CHAARO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2[NH3+] ZINC000245229300 566968927 /nfs/dbraw/zinc/96/89/27/566968927.db2.gz SXFQJBRXNODJBV-LPJTWDLVSA-N 1 0 289.463 3.637 50 0 biogenic CHAARO CCOc1ccnc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n1 ZINC000426517767 566989281 /nfs/dbraw/zinc/98/92/81/566989281.db2.gz DKPIWASCCPCZCF-AWEZNQCLSA-N 1 0 297.402 3.699 50 0 CHAARO CCCc1nnc(-c2ccc([C@H](C)[NH+](C)C)cc2)s1 ZINC000426658203 566991629 /nfs/dbraw/zinc/99/16/29/566991629.db2.gz JRPHCYJMQPBNEP-NSHDSACASA-N 1 0 275.421 3.780 50 0 CHAARO CCC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccccc1 ZINC000036096610 566994374 /nfs/dbraw/zinc/99/43/74/566994374.db2.gz NKAIISWEDFSELX-MRXNPFEDSA-N 1 0 275.417 3.694 50 0 CHAARO COc1cccc2c1SCc1ccccc1[C@H]2C[NH+](C)C ZINC000002021861 566999324 /nfs/dbraw/zinc/99/93/24/566999324.db2.gz OMKCSQWWLSDBSG-MRXNPFEDSA-N 1 0 299.439 3.994 50 0 CHAARO CCCCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccno1 ZINC000170595404 567011341 /nfs/dbraw/zinc/01/13/41/567011341.db2.gz PRXZIFJVJZTLHL-HIFRSBDPSA-N 1 0 250.386 3.903 50 0 CHAARO C[C@H]1CC[C@H](C[NH2+]C2(c3ccc(F)cc3F)CCCC2)O1 ZINC000170608592 567013749 /nfs/dbraw/zinc/01/37/49/567013749.db2.gz PVOVHZVENKVSNS-GXTWGEPZSA-N 1 0 295.373 3.891 50 0 CHAARO C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1Cc1ccncc1 ZINC000095401544 567039258 /nfs/dbraw/zinc/03/92/58/567039258.db2.gz DJPDQXZFCVTWSO-SWLSCSKDSA-N 1 0 258.390 3.521 50 0 CHAARO Cc1noc(C)c1CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000252488923 567057845 /nfs/dbraw/zinc/05/78/45/567057845.db2.gz JBQYUSYTJOYMLM-ZDUSSCGKSA-N 1 0 272.392 3.617 50 0 CHAARO c1ccc(-c2cncc(C[NH+]3CCCCC3)c2)cc1 ZINC000037554002 567067753 /nfs/dbraw/zinc/06/77/53/567067753.db2.gz TYDKLLISZNDWJE-UHFFFAOYSA-N 1 0 252.361 3.735 50 0 CHAARO C[C@@H]([NH2+]Cc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000095419222 567130848 /nfs/dbraw/zinc/13/08/48/567130848.db2.gz NHHYBIQVKLMCNC-CYBMUJFWSA-N 1 0 294.398 3.767 50 0 CHAARO Clc1ccc(C[NH2+]CCc2ccccn2)c2ncccc12 ZINC000095415393 567131965 /nfs/dbraw/zinc/13/19/65/567131965.db2.gz CHXVJJMWIYJMPS-UHFFFAOYSA-N 1 0 297.789 3.616 50 0 CHAARO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(Cl)s2)CCC1 ZINC000095988548 567136229 /nfs/dbraw/zinc/13/62/29/567136229.db2.gz FTYDHZJCXRSCCN-NSHDSACASA-N 1 0 287.856 3.680 50 0 CHAARO Cc1ccc(C)c([C@@H](OCC[NH+](C)C)c2ccccc2)c1 ZINC000096026354 567136666 /nfs/dbraw/zinc/13/66/66/567136666.db2.gz VITQRFZZRZNCGK-IBGZPJMESA-N 1 0 283.415 3.971 50 0 CHAARO C[N@@H+]1CCC[C@H](CC(O)(c2ccccc2)c2ccccc2)C1 ZINC000096028091 567138343 /nfs/dbraw/zinc/13/83/43/567138343.db2.gz DFENTWYMBKAKAX-QGZVFWFLSA-N 1 0 295.426 3.654 50 0 CHAARO C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCCC1 ZINC000027988370 567147094 /nfs/dbraw/zinc/14/70/94/567147094.db2.gz AKQVDWQQRKYCOZ-ZZFFKQLHSA-N 1 0 275.436 3.646 50 0 CHAARO O[C@@H](C[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000002651813 567150805 /nfs/dbraw/zinc/15/08/05/567150805.db2.gz IWAGAOQLMHUERY-IBGZPJMESA-N 1 0 279.383 3.509 50 0 CHAARO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000057863231 567164387 /nfs/dbraw/zinc/16/43/87/567164387.db2.gz UEEZBEGNFXFPSM-GFCCVEGCSA-N 1 0 289.379 3.730 50 0 CHAARO O[C@H](C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000003312239 567168692 /nfs/dbraw/zinc/16/86/92/567168692.db2.gz SWJSKHQZLJYDSG-HXUWFJFHSA-N 1 0 295.426 3.675 50 0 CHAARO Cc1ncc(C[N@@H+](C)C[C@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000670446022 567175821 /nfs/dbraw/zinc/17/58/21/567175821.db2.gz QKVILWRFDCAFRW-SFHVURJKSA-N 1 0 283.419 3.518 50 0 CHAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(C)c2ncccc12 ZINC000670457678 567186123 /nfs/dbraw/zinc/18/61/23/567186123.db2.gz MDZNMTXWKACERP-CQSZACIVSA-N 1 0 286.419 3.836 50 0 CHAARO c1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000000025447 567816625 /nfs/dbraw/zinc/81/66/25/567816625.db2.gz PKUGRVAJRGZDJP-UHFFFAOYSA-N 1 0 267.372 3.828 50 0 in-vitro CHAARO Cc1c(Cl)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000000176194 567821395 /nfs/dbraw/zinc/82/13/95/567821395.db2.gz AQYOJUSOIYQPOJ-GFCCVEGCSA-N 1 0 294.826 3.709 50 0 CHAARO COc1cccc(Sc2ccccc2C[NH+](C)C)c1 ZINC000000347483 567826399 /nfs/dbraw/zinc/82/63/99/567826399.db2.gz ZKDJTQMXLPCOTF-UHFFFAOYSA-N 1 0 273.401 3.908 50 0 CHAARO Cn1c(-c2ccccc2)c[n+]2c1ccc1ccccc12 ZINC000000387321 567828277 /nfs/dbraw/zinc/82/82/77/567828277.db2.gz KOPJKQCGVVHEQM-UHFFFAOYSA-N 1 0 259.332 3.584 50 0 CHAARO Cc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C ZINC000000550061 567833206 /nfs/dbraw/zinc/83/32/06/567833206.db2.gz GNKUAHZWKXWCJQ-UHFFFAOYSA-N 1 0 299.761 3.787 50 0 CHAARO c1nn(-c2ccccc2)c2ncnc(NC3CCCCC3)c12 ZINC000000552623 567833409 /nfs/dbraw/zinc/83/34/09/567833409.db2.gz CSCOVVWVKITOIE-UHFFFAOYSA-N 1 0 293.374 3.560 50 0 CHAARO C[NH+](C)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000001652112 567840062 /nfs/dbraw/zinc/84/00/62/567840062.db2.gz CECAAFFTTFQGHF-UHFFFAOYSA-N 1 0 250.345 3.897 50 0 CHAARO CCC(=O)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000002009078 567843879 /nfs/dbraw/zinc/84/38/79/567843879.db2.gz LTAJHAFDPKOAJV-UHFFFAOYSA-N 1 0 275.392 3.534 50 0 CHAARO Cc1cc(C)c2c(C[NH+]3CCC(C)CC3)cc(=O)oc2c1 ZINC000002337658 567845526 /nfs/dbraw/zinc/84/55/26/567845526.db2.gz ZIARRVOVIIMKBW-UHFFFAOYSA-N 1 0 285.387 3.642 50 0 CHAARO CC[NH+](CC)CCCOc1ccc(Br)cc1 ZINC000002494416 567845876 /nfs/dbraw/zinc/84/58/76/567845876.db2.gz MCQAEACYTGYCHC-UHFFFAOYSA-N 1 0 286.213 3.560 50 0 CHAARO C[NH2+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000002462077 567846058 /nfs/dbraw/zinc/84/60/58/567846058.db2.gz IWCCYXGZEMLZKS-UHFFFAOYSA-N 1 0 280.371 3.509 50 0 CHAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(F)cc1F ZINC000002514922 567846189 /nfs/dbraw/zinc/84/61/89/567846189.db2.gz ONBQJKWWRSCXMY-UHFFFAOYSA-N 1 0 299.320 3.568 50 0 CHAARO CC(C)[C@@H](CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000002548226 567848205 /nfs/dbraw/zinc/84/82/05/567848205.db2.gz ZWLAXLXECFRUPM-LJQANCHMSA-N 1 0 283.415 3.706 50 0 CHAARO CC[C@@H](C)[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000002823890 567849445 /nfs/dbraw/zinc/84/94/45/567849445.db2.gz YYLQGFRYJDWUEZ-SECBINFHSA-N 1 0 262.180 3.760 50 0 CHAARO Fc1ccc(OCCCCCC[NH+]2CCCC2)cc1 ZINC000002898288 567850246 /nfs/dbraw/zinc/85/02/46/567850246.db2.gz NMAPRKAVIGYTDD-UHFFFAOYSA-N 1 0 265.372 3.861 50 0 CHAARO CC[NH+](CC)CCOCCOc1ccc(C(C)(C)C)cc1 ZINC000002896082 567850338 /nfs/dbraw/zinc/85/03/38/567850338.db2.gz WINUAWLXWFNUKM-UHFFFAOYSA-N 1 0 293.451 3.721 50 0 CHAARO CCOc1ccccc1OCCCC[NH+]1CCC(C)CC1 ZINC000002957425 567850611 /nfs/dbraw/zinc/85/06/11/567850611.db2.gz WPSDGAPLYZUWLH-UHFFFAOYSA-N 1 0 291.435 3.976 50 0 CHAARO Cc1cc(Cl)ccc1OCCC[NH+]1CCCCC1 ZINC000002932289 567850685 /nfs/dbraw/zinc/85/06/85/567850685.db2.gz IXGZYOBTCPBJQM-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO CCCC[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000002901501 567850709 /nfs/dbraw/zinc/85/07/09/567850709.db2.gz GJMCASSEPNMOAL-UHFFFAOYSA-N 1 0 255.789 3.889 50 0 CHAARO CCCC[NH2+]CCOCCOc1ccc2ccccc2c1 ZINC000002981031 567851086 /nfs/dbraw/zinc/85/10/86/567851086.db2.gz GWKVAWQMGFSDTP-UHFFFAOYSA-N 1 0 287.403 3.625 50 0 CHAARO [NH3+]Cc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000003709643 567853538 /nfs/dbraw/zinc/85/35/38/567853538.db2.gz RTHXSCLXINJFDQ-UHFFFAOYSA-N 1 0 266.369 3.936 50 0 CHAARO Cc1cccc(C(=O)O[C@H](C)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000003904883 567854415 /nfs/dbraw/zinc/85/44/15/567854415.db2.gz CDLAWMHMQXCIAA-OWCLPIDISA-N 1 0 289.419 3.803 50 0 CHAARO CCCCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000004054443 567855097 /nfs/dbraw/zinc/85/50/97/567855097.db2.gz PMJXNJOUDBECRM-UHFFFAOYSA-N 1 0 264.388 3.528 50 0 CHAARO COc1ccc(C[NH2+]C2CCCC2)cc1-c1cccnc1 ZINC000032561739 567861955 /nfs/dbraw/zinc/86/19/55/567861955.db2.gz XABKWYWKNOHBQK-UHFFFAOYSA-N 1 0 282.387 3.789 50 0 CHAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000032576381 567862087 /nfs/dbraw/zinc/86/20/87/567862087.db2.gz UPCQDGVAQASFSA-GJZGRUSLSA-N 1 0 293.451 3.633 50 0 CHAARO CC(C)CCCN1CC[C@H]([NH2+]C2CCCCC2)CCC1=O ZINC000012218279 567862799 /nfs/dbraw/zinc/86/27/99/567862799.db2.gz LFIGHUNRYNUIHJ-QGZVFWFLSA-N 1 0 294.483 3.726 50 0 CHAARO CCc1ccc2oc(-c3ccc(C[NH3+])cc3)nc2c1 ZINC000012855215 567864406 /nfs/dbraw/zinc/86/44/06/567864406.db2.gz BPISPIKEJOJPCD-UHFFFAOYSA-N 1 0 252.317 3.516 50 0 CHAARO CCOc1cccc(C[NH2+]C)c1OCc1ccccc1F ZINC000013729934 567867719 /nfs/dbraw/zinc/86/77/19/567867719.db2.gz HIRKDTRYKSTYNZ-UHFFFAOYSA-N 1 0 289.350 3.523 50 0 CHAARO Cc1cccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)c1 ZINC000013769331 567868050 /nfs/dbraw/zinc/86/80/50/567868050.db2.gz UHOHVOTXMAQDFV-UHFFFAOYSA-N 1 0 289.402 3.746 50 0 CHAARO CC(C)(c1ccccc1)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000014632237 567869468 /nfs/dbraw/zinc/86/94/68/567869468.db2.gz RYPLQWRKHHDZAD-GOSISDBHSA-N 1 0 281.399 3.753 50 0 CHAARO Cc1c([C@@H](C)[NH2+]C2CCC2)cnn1-c1cccc(F)c1 ZINC000014948247 567870024 /nfs/dbraw/zinc/87/00/24/567870024.db2.gz GAPVYXCDLXNZRV-LLVKDONJSA-N 1 0 273.355 3.523 50 0 CHAARO COCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000016578364 567873115 /nfs/dbraw/zinc/87/31/15/567873115.db2.gz XCXZYNSKSIAKAC-UHFFFAOYSA-N 1 0 299.292 3.701 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016663057 567873280 /nfs/dbraw/zinc/87/32/80/567873280.db2.gz WAGVQFDZQGWLIQ-UHFFFAOYSA-N 1 0 280.415 3.626 50 0 CHAARO C[N@H+](Cc1cnoc1-c1ccccc1)Cc1ccccc1 ZINC000065288896 567876930 /nfs/dbraw/zinc/87/69/30/567876930.db2.gz IQWGEXZUEUTYAM-UHFFFAOYSA-N 1 0 278.355 3.974 50 0 CHAARO Brc1ccccc1Oc1ccncc1 ZINC000019517331 567877999 /nfs/dbraw/zinc/87/79/99/567877999.db2.gz LEYSHVVIBUCHMO-UHFFFAOYSA-N 1 0 250.095 3.636 50 0 CHAARO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2C)cc1 ZINC000019737650 567878342 /nfs/dbraw/zinc/87/83/42/567878342.db2.gz JBOKHAJDYOZODE-OAHLLOKOSA-N 1 0 285.387 3.561 50 0 CHAARO COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000019720958 567878496 /nfs/dbraw/zinc/87/84/96/567878496.db2.gz IGCXVOWFGAPLMT-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO CC[C@@H](C[NH2+]Cc1ccccc1)Oc1cccc(C)c1 ZINC000019737831 567878725 /nfs/dbraw/zinc/87/87/25/567878725.db2.gz RULGRYLJYCLOBQ-KRWDZBQOSA-N 1 0 269.388 3.942 50 0 CHAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000019842493 567879339 /nfs/dbraw/zinc/87/93/39/567879339.db2.gz ZURHLWABVSCWRZ-YJBOKZPZSA-N 1 0 290.426 3.522 50 0 CHAARO CCC(CC)[NH2+]Cc1ccc(Br)cc1 ZINC000019883716 567879833 /nfs/dbraw/zinc/87/98/33/567879833.db2.gz GMROMHXDXGBXQR-UHFFFAOYSA-N 1 0 256.187 3.727 50 0 CHAARO CC(C)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000020028141 567880437 /nfs/dbraw/zinc/88/04/37/567880437.db2.gz ABAYPBNJVATNDZ-GOSISDBHSA-N 1 0 269.388 3.633 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cccc(F)c1 ZINC000020081906 567880755 /nfs/dbraw/zinc/88/07/55/567880755.db2.gz FQFZGFYGCVKNLK-QGZVFWFLSA-N 1 0 296.345 3.551 50 0 biogenic,in-vitro CHAARO Oc1ccc2c(c1)C[N@H+]([C@H]1CCCc3ccccc31)CC2 ZINC000072291834 567884287 /nfs/dbraw/zinc/88/42/87/567884287.db2.gz IVXQLEQJYREYDX-IBGZPJMESA-N 1 0 279.383 3.828 50 0 CHAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029482546 567884393 /nfs/dbraw/zinc/88/43/93/567884393.db2.gz OYEJRESJVGFPIJ-GOSISDBHSA-N 1 0 294.398 3.553 50 0 CHAARO Cc1cc(C)cc([C@@H](N)[C@H]([NH3+])c2cc(C)cc(C)c2)c1 ZINC000034050830 567886989 /nfs/dbraw/zinc/88/69/89/567886989.db2.gz POWCVEXEFGJWNW-QZTJIDSGSA-N 1 0 268.404 3.620 50 0 CHAARO Clc1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000002497231 567887640 /nfs/dbraw/zinc/88/76/40/567887640.db2.gz NGTJDPRWXZUBSA-UHFFFAOYSA-N 1 0 253.773 3.595 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)c1 ZINC000016662627 567888026 /nfs/dbraw/zinc/88/80/26/567888026.db2.gz IWSJNYGMEDQMRG-WMLDXEAASA-N 1 0 272.436 3.614 50 0 CHAARO c1coc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000023471733 567888839 /nfs/dbraw/zinc/88/88/39/567888839.db2.gz BIZSEHPFITVFIS-QZTJIDSGSA-N 1 0 288.435 3.509 50 0 CHAARO C[C@@H]1C[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000253603845 567888927 /nfs/dbraw/zinc/88/89/27/567888927.db2.gz NVRHPKDNICAHBX-MNEFBYGVSA-N 1 0 281.399 3.587 50 0 CHAARO FC(F)(F)c1cccc(-c2c[nH]c([C@@H]3CCC[NH2+]3)n2)c1 ZINC000036874154 567889725 /nfs/dbraw/zinc/88/97/25/567889725.db2.gz CYKVXZCFCZOGTJ-NSHDSACASA-N 1 0 281.281 3.520 50 0 CHAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001599 567890351 /nfs/dbraw/zinc/89/03/51/567890351.db2.gz YSUVURQIWGMWJH-SFYZADRCSA-N 1 0 262.216 3.960 50 0 CHAARO Cc1ccc(C(C)C)cc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772556 567891581 /nfs/dbraw/zinc/89/15/81/567891581.db2.gz XRQOYFSNOKXGPM-HNNXBMFYSA-N 1 0 261.409 3.887 50 0 CHAARO CCCc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000042773765 567891632 /nfs/dbraw/zinc/89/16/32/567891632.db2.gz PUIGAPSCHUEHLX-HNNXBMFYSA-N 1 0 277.408 3.559 50 0 CHAARO Cc1cc(C)c(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770733 567891714 /nfs/dbraw/zinc/89/17/14/567891714.db2.gz FYJQSKLCMUVITR-CYBMUJFWSA-N 1 0 267.800 3.868 50 0 CHAARO CC(C)c1cc(Cl)ccc1OCC1CC[NH2+]CC1 ZINC000042775184 567892009 /nfs/dbraw/zinc/89/20/09/567892009.db2.gz MMTHWYMLTUEBOU-UHFFFAOYSA-N 1 0 267.800 3.842 50 0 CHAARO CN(C(N)=[NH2+])c1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000019927774 567893862 /nfs/dbraw/zinc/89/38/62/567893862.db2.gz YIURGICSUXDEDR-NTCAYCPXSA-N 1 0 275.355 3.584 50 0 CHAARO CC(=O)Nc1sc(C)c(C)c1C[NH+]1CCC(C)CC1 ZINC000033029256 567893963 /nfs/dbraw/zinc/89/39/63/567893963.db2.gz UCSQSFZOGAIYJG-UHFFFAOYSA-N 1 0 280.437 3.555 50 0 CHAARO C[C@@H](c1ccc(-c2cncnc2)cc1)[NH+]1CCCCC1 ZINC000065371691 567898477 /nfs/dbraw/zinc/89/84/77/567898477.db2.gz AHNPDISPFZRKKQ-AWEZNQCLSA-N 1 0 267.376 3.691 50 0 CHAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000065396669 567899129 /nfs/dbraw/zinc/89/91/29/567899129.db2.gz HZRSQBHUXDZOTM-GOSISDBHSA-N 1 0 297.402 3.623 50 0 CHAARO C[C@@H](c1cccc(-c2ccc[nH]c2=O)c1)[NH+]1CCCC1 ZINC000065404490 567899289 /nfs/dbraw/zinc/89/92/89/567899289.db2.gz JLSRASQHGXDSET-ZDUSSCGKSA-N 1 0 268.360 3.611 50 0 CHAARO Cc1n[nH]c(C)c1CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000067678748 567900377 /nfs/dbraw/zinc/90/03/77/567900377.db2.gz TXABIQCLNMLZEP-CQSZACIVSA-N 1 0 263.429 3.518 50 0 CHAARO O[C@@H]1C[N@@H+](C2CCCC2)CC[C@H]1c1ccc2ccccc2c1 ZINC000067895724 567900998 /nfs/dbraw/zinc/90/09/98/567900998.db2.gz YVRBYOUKOGYEBL-VQTJNVASSA-N 1 0 295.426 3.933 50 0 CHAARO CC(C)=CC[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067974005 567901141 /nfs/dbraw/zinc/90/11/41/567901141.db2.gz FSVTYNWGLCPVBC-UHFFFAOYSA-N 1 0 286.350 3.805 50 0 CHAARO CCC[C@@](OC(=O)CC)(c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000071772257 567902283 /nfs/dbraw/zinc/90/22/83/567902283.db2.gz VCMZAYBZVOWQJQ-SJLPKXTDSA-N 1 0 289.419 3.587 50 0 CHAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)o1 ZINC000072426281 567902533 /nfs/dbraw/zinc/90/25/33/567902533.db2.gz NYINODKBOAJIBR-KRWDZBQOSA-N 1 0 297.398 3.612 50 0 CHAARO [NH3+][C@@H]1CCCCc2c3cc(Br)ccc3[nH]c21 ZINC000096978877 567903198 /nfs/dbraw/zinc/90/31/98/567903198.db2.gz UFGUZGRZKTZRAB-LLVKDONJSA-N 1 0 279.181 3.657 50 0 CHAARO C[C@]1(CO)CCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000097105386 567904540 /nfs/dbraw/zinc/90/45/40/567904540.db2.gz RBJIXVSCCKJLCU-QGZVFWFLSA-N 1 0 287.428 3.762 50 0 CHAARO COc1cc2c(cc1OC)[C@H](c1ccc(C)cc1C)[NH2+]CC2 ZINC000000053487 567905756 /nfs/dbraw/zinc/90/57/56/567905756.db2.gz BEOKKQIJBNZWBW-IBGZPJMESA-N 1 0 297.398 3.556 50 0 CHAARO CC(C)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219864 567907172 /nfs/dbraw/zinc/90/71/72/567907172.db2.gz RUKZIYQOTKFCRW-UHFFFAOYSA-N 1 0 276.605 3.848 50 0 CHAARO C[C@@H]1C[N@@H+](CCCCOc2cccc(Cl)c2)C[C@H](C)O1 ZINC000016247512 567908598 /nfs/dbraw/zinc/90/85/98/567908598.db2.gz WPIVZRDEHDUZOB-OKILXGFUSA-N 1 0 297.826 3.608 50 0 CHAARO C[C@@H](c1ccc(-c2ccc(C(N)=O)o2)cc1)[NH+]1CCCCC1 ZINC000096152258 567909899 /nfs/dbraw/zinc/90/98/99/567909899.db2.gz SMXZALGDIFNMHH-ZDUSSCGKSA-N 1 0 298.386 3.592 50 0 CHAARO Cc1nc(C(C)(C)[NH2+]CCC(F)(F)F)sc1C ZINC000072865614 567910151 /nfs/dbraw/zinc/91/01/51/567910151.db2.gz BMHRAXWOZUHYGZ-UHFFFAOYSA-N 1 0 266.332 3.537 50 0 CHAARO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCCO)c2cccnc12 ZINC000097137758 567910402 /nfs/dbraw/zinc/91/04/02/567910402.db2.gz WFDUUCKPPYJDMK-KRWDZBQOSA-N 1 0 298.430 3.670 50 0 CHAARO CNc1cc(C)nc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000097619071 567910801 /nfs/dbraw/zinc/91/08/01/567910801.db2.gz MHHVXAKFFSUBQZ-CQSZACIVSA-N 1 0 296.418 3.651 50 0 CHAARO CCOc1ccc(Cc2nc3ccccc3[nH]2)cc1 ZINC000000255836 567925753 /nfs/dbraw/zinc/92/57/53/567925753.db2.gz NNAQVPUEPHRSKJ-UHFFFAOYSA-N 1 0 252.317 3.552 50 0 CHAARO C=Cn1cc(C[NH2+][C@H](C)c2cc3cccc(F)c3o2)cn1 ZINC000408514791 567927651 /nfs/dbraw/zinc/92/76/51/567927651.db2.gz XSDGPQYAUVTCBM-LLVKDONJSA-N 1 0 285.322 3.720 50 0 CHAARO COC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000249173806 567929882 /nfs/dbraw/zinc/92/98/82/567929882.db2.gz DCLWKIWDAOWICU-WOPDTQHZSA-N 1 0 291.313 3.678 50 0 CHAARO CCC1CCC([N@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000000213469 567935641 /nfs/dbraw/zinc/93/56/41/567935641.db2.gz XJSQKDSUIQYAFJ-BDVYOWHSSA-N 1 0 261.409 3.621 50 0 CHAARO Fc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1F ZINC000019855975 567944788 /nfs/dbraw/zinc/94/47/88/567944788.db2.gz MVTIHLJDCGBEBG-UHFFFAOYSA-N 1 0 286.325 3.778 50 0 CHAARO COc1ccc2cc(C[NH2+]Cc3ccccn3)ccc2c1 ZINC000019956913 567945070 /nfs/dbraw/zinc/94/50/70/567945070.db2.gz WHWCAZTXAPJYOZ-UHFFFAOYSA-N 1 0 278.355 3.533 50 0 CHAARO Cc1cc(C)cc(C[NH2+][C@@H](CN(C)C)c2ccccc2)c1 ZINC000049900532 567946847 /nfs/dbraw/zinc/94/68/47/567946847.db2.gz CLEJVXUTFXKMCI-IBGZPJMESA-N 1 0 282.431 3.696 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H]2CCCO2)o1 ZINC000225392289 567953225 /nfs/dbraw/zinc/95/32/25/567953225.db2.gz PRCFDFCWQACROC-CYBMUJFWSA-N 1 0 289.350 3.663 50 0 CHAARO COc1ccc(OC)c(C[NH2+]C2CCCCCC2)c1 ZINC000004685503 570215977 /nfs/dbraw/zinc/21/59/77/570215977.db2.gz PEHQZQFYFPLKCT-UHFFFAOYSA-N 1 0 263.381 3.516 50 0 CHAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]C(C)C ZINC000011878905 570220671 /nfs/dbraw/zinc/22/06/71/570220671.db2.gz CPPJKEJJTIJPAS-CQSZACIVSA-N 1 0 290.455 3.615 50 0 CHAARO CCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000037762130 570234476 /nfs/dbraw/zinc/23/44/76/570234476.db2.gz GMWHHVFUOYFQOD-INIZCTEOSA-N 1 0 258.340 3.618 50 0 CHAARO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3[NH3+])cc1 ZINC000047218871 570237220 /nfs/dbraw/zinc/23/72/20/570237220.db2.gz ZWZWJABZNNTAJU-OAHLLOKOSA-N 1 0 269.392 3.506 50 0 CHAARO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1nc(C)ccc1O ZINC000055089814 570240552 /nfs/dbraw/zinc/24/05/52/570240552.db2.gz QLHNNFLAXNHTBU-ZDUSSCGKSA-N 1 0 290.432 3.958 50 0 CHAARO c1cc2n(c1)-c1ccccc1C[NH2+][C@@H]2c1ccccc1 ZINC000055211066 570241297 /nfs/dbraw/zinc/24/12/97/570241297.db2.gz NUCZYEHNXNPWBA-GOSISDBHSA-N 1 0 260.340 3.670 50 0 CHAARO CC[C@H](C)[N@H+](Cc1nc(C)ccc1O)C1CCCC1 ZINC000055270205 570241901 /nfs/dbraw/zinc/24/19/01/570241901.db2.gz ARXKJOXNHINAGM-ZDUSSCGKSA-N 1 0 262.397 3.639 50 0 CHAARO CCOc1ccc(-c2c[nH]c([C@H]3CCC[N@H+](CC)C3)n2)cc1 ZINC000065532423 570244619 /nfs/dbraw/zinc/24/46/19/570244619.db2.gz DJQGWINQHDPQGM-HNNXBMFYSA-N 1 0 299.418 3.675 50 0 CHAARO Cn1cc(C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000000216738 570263642 /nfs/dbraw/zinc/26/36/42/570263642.db2.gz NUYMLBCETWIHJM-UHFFFAOYSA-N 1 0 276.383 3.737 50 0 CHAARO Cc1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CCO ZINC000000357717 570265204 /nfs/dbraw/zinc/26/52/04/570265204.db2.gz UJROHQGNWZSUID-UHFFFAOYSA-N 1 0 296.415 3.670 50 0 CHAARO Clc1ccccc1[C@H]1CCN(Cc2cscn2)C1 ZINC000215822096 570304159 /nfs/dbraw/zinc/30/41/59/570304159.db2.gz KCVIUKLYQCTTDP-NSHDSACASA-N 1 0 278.808 3.786 50 0 CHAARO CCc1ccc(CN2CCCC[C@@H]2c2nccs2)nc1 ZINC000215197330 570302318 /nfs/dbraw/zinc/30/23/18/570302318.db2.gz SLFGEBBQLKJHFY-OAHLLOKOSA-N 1 0 287.432 3.828 50 0 CHAARO Clc1ccccc1[C@@H]1CCN(Cc2cscn2)C1 ZINC000215822047 570304222 /nfs/dbraw/zinc/30/42/22/570304222.db2.gz KCVIUKLYQCTTDP-LLVKDONJSA-N 1 0 278.808 3.786 50 0 CHAARO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@@H](C)C3)o2)c1 ZINC000229684753 570316572 /nfs/dbraw/zinc/31/65/72/570316572.db2.gz CRUFHUTXHPBMPW-KGLIPLIRSA-N 1 0 285.391 3.838 50 0 CHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2F)cc1 ZINC000012529346 570327092 /nfs/dbraw/zinc/32/70/92/570327092.db2.gz QEBADEFARPUPLX-UHFFFAOYSA-N 1 0 299.324 3.645 50 0 CHAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2)cc1 ZINC000015837067 570344004 /nfs/dbraw/zinc/34/40/04/570344004.db2.gz JZZDDIBDLFLIPU-GOSISDBHSA-N 1 0 283.371 3.738 50 0 CHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000053573811 570349127 /nfs/dbraw/zinc/34/91/27/570349127.db2.gz RZTYYQXRKGPMMD-RBSFLKMASA-N 1 0 299.418 3.669 50 0 CHAARO Cc1cnn(CC[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000075610870 570356028 /nfs/dbraw/zinc/35/60/28/570356028.db2.gz SFGABFKGCULIPV-OAHLLOKOSA-N 1 0 279.387 3.696 50 0 CHAARO CSCC1(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)CCC1 ZINC000089493459 570357597 /nfs/dbraw/zinc/35/75/97/570357597.db2.gz WTEUUNIXPKFWPO-CQSZACIVSA-N 1 0 264.438 3.685 50 0 CHAARO COC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000249173803 570360755 /nfs/dbraw/zinc/36/07/55/570360755.db2.gz DCLWKIWDAOWICU-UTUOFQBUSA-N 1 0 291.313 3.678 50 0 CHAARO Cc1c([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)cnn1C ZINC000091967928 570371400 /nfs/dbraw/zinc/37/14/00/570371400.db2.gz HXDOCYKZDUKNCF-SFHVURJKSA-N 1 0 294.402 3.547 50 0 CHAARO C[C@H]1CSc2ccccc2[C@H]1[NH2+]Cc1ccco1 ZINC000095427055 570371923 /nfs/dbraw/zinc/37/19/23/570371923.db2.gz DEMVWLOJCWZKQT-NHYWBVRUSA-N 1 0 259.374 3.852 50 0 CHAARO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC1 ZINC000002637369 570397313 /nfs/dbraw/zinc/39/73/13/570397313.db2.gz DSJASXHSXKGXPD-UHFFFAOYSA-N 1 0 288.435 3.968 50 0 CHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc3cccnc32)on1 ZINC000040536468 570412168 /nfs/dbraw/zinc/41/21/68/570412168.db2.gz BGVPXBMUSIYOHI-INIZCTEOSA-N 1 0 293.370 3.868 50 0 CHAARO CC[NH+](CC)Cc1cc(C)cc(Br)c1 ZINC000230550866 1121223499 /nfs/dbraw/zinc/22/34/99/1121223499.db2.gz KEWCXWJWVVBALO-UHFFFAOYSA-N 1 0 256.187 3.599 50 0 CHAARO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1sccc1C ZINC000055325620 1125658898 /nfs/dbraw/zinc/65/88/98/1125658898.db2.gz WLZWOGXWZWZGGG-CQSZACIVSA-N 1 0 295.473 3.891 50 0 CHAARO FC(F)(F)c1cccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000299761912 1127746883 /nfs/dbraw/zinc/74/68/83/1127746883.db2.gz BNUCSKAHGXEFKV-LLVKDONJSA-N 1 0 295.308 3.563 50 0 CHAARO C/C=C\c1ccc(OCC[NH+]2CCCCCC2)c(OC)c1 ZINC000033316592 1128497788 /nfs/dbraw/zinc/49/77/88/1128497788.db2.gz FKJXTXILJMZTJD-BAQGIRSFSA-N 1 0 289.419 3.983 50 0 CHAARO C[C@@H]([NH2+]CCCNc1ccccc1)C1CC(F)(F)C1 ZINC000628198563 1128577734 /nfs/dbraw/zinc/57/77/34/1128577734.db2.gz AMOIXYJVHGPFTL-GFCCVEGCSA-N 1 0 268.351 3.512 50 0 CHAARO COc1ccccc1OCCCCCC[NH+]1CCCC1 ZINC000002880302 1119129516 /nfs/dbraw/zinc/12/95/16/1119129516.db2.gz JWULQFGICQIPKX-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 CHAARO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1ccccc1 ZINC000023280341 1119766392 /nfs/dbraw/zinc/76/63/92/1119766392.db2.gz JVNLXMPRYAPDDJ-MRXNPFEDSA-N 1 0 275.779 3.505 50 0 CHAARO C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)c1ccccc1 ZINC000023280345 1119766833 /nfs/dbraw/zinc/76/68/33/1119766833.db2.gz JVNLXMPRYAPDDJ-INIZCTEOSA-N 1 0 275.779 3.505 50 0 CHAARO Cc1ccccc1NC(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023581902 1119934304 /nfs/dbraw/zinc/93/43/04/1119934304.db2.gz RYPCQZSUXBIJFZ-CYBMUJFWSA-N 1 0 286.400 3.733 50 0 CHAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC=CCC1 ZINC000027141033 1120708805 /nfs/dbraw/zinc/70/88/05/1120708805.db2.gz KQVYKRADTRNOSW-KRWDZBQOSA-N 1 0 298.430 3.967 50 0 CHAARO Cc1c[nH+]ccc1N1CCC(OCc2ccccc2)CC1 ZINC000195340732 1120880563 /nfs/dbraw/zinc/88/05/63/1120880563.db2.gz ZBMAYFDZKNHZDJ-UHFFFAOYSA-N 1 0 282.387 3.576 50 0 CHAARO FC1(c2cccc(OCc3ccccc3)c2)CC[NH2+]CC1 ZINC000168099165 1120925195 /nfs/dbraw/zinc/92/51/95/1120925195.db2.gz GWOQJGOXCDVSIQ-UHFFFAOYSA-N 1 0 285.362 3.814 50 0 CHAARO C[C@@H]1CC[C@@]2(C)c3c(c4ccccc4n3C)CC[N@@H+]2C1 ZINC000005091772 1120963666 /nfs/dbraw/zinc/96/36/66/1120963666.db2.gz MSXQRQHGKWQLBE-ACJLOTCBSA-N 1 0 268.404 3.682 50 0 CHAARO CC[N@H+](Cc1cnc(-c2ccccn2)nc1)C1CCCCC1 ZINC000219170471 1120993277 /nfs/dbraw/zinc/99/32/77/1120993277.db2.gz SGAUWLNOJXHKTR-UHFFFAOYSA-N 1 0 296.418 3.693 50 0 CHAARO CCC[C@@H]1C=CC[N@@H+]1Cc1ccc2c(ccn2C)c1 ZINC000822804607 1121971532 /nfs/dbraw/zinc/97/15/32/1121971532.db2.gz JGLQCWCHXHMCPA-MRXNPFEDSA-N 1 0 254.377 3.719 50 0 CHAARO Cc1cc(C)cc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)c1 ZINC000089556063 1124766530 /nfs/dbraw/zinc/76/65/30/1124766530.db2.gz FIUKGPAPFGSGTC-AWEZNQCLSA-N 1 0 287.407 3.703 50 0 CHAARO C[C@@H]1CCCN(Cc2cc(N3CCC[C@@H](C)C3)cc[nH+]2)C1 ZINC000222020994 1125433653 /nfs/dbraw/zinc/43/36/53/1125433653.db2.gz ZTKMJXOZSKARBH-HZPDHXFCSA-N 1 0 287.451 3.550 50 0 CHAARO Cc1c2cc(F)ccc2[nH]c1CN(C)[C@@H](C)c1ccncn1 ZINC000823652581 1129269084 /nfs/dbraw/zinc/26/90/84/1129269084.db2.gz HIGJWXIFARIZHR-LBPRGKRZSA-N 1 0 298.365 3.598 50 0 CHAARO Cc1ccc(-c2cccc(C[N@H+](C)C[C@H]3CCOC3)c2)o1 ZINC000823709388 1129270383 /nfs/dbraw/zinc/27/03/83/1129270383.db2.gz PCKPWMKDMBJPHI-MRXNPFEDSA-N 1 0 285.387 3.723 50 0 CHAARO CSC(C)(C)C[C@H](C)[NH2+]Cc1ccc2nsnc2c1 ZINC000824870998 1129304508 /nfs/dbraw/zinc/30/45/08/1129304508.db2.gz JYPQHODCOPQPDU-JTQLQIEISA-N 1 0 295.477 3.701 50 0 CHAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC12CCC2 ZINC000827701494 1129362522 /nfs/dbraw/zinc/36/25/22/1129362522.db2.gz AAAHPEXJKFODLR-INIZCTEOSA-N 1 0 298.430 3.801 50 0 CHAARO Cc1cnccc1CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417309647 1129627591 /nfs/dbraw/zinc/62/75/91/1129627591.db2.gz JSDCBKKVKOYQEJ-VNQPRFMTSA-N 1 0 286.444 3.776 50 0 CHAARO c1ccc(-c2noc(C[NH+]3CCCCCCC3)n2)cc1 ZINC000012711986 1129831442 /nfs/dbraw/zinc/83/14/42/1129831442.db2.gz AUBDMQXRWCMPNX-UHFFFAOYSA-N 1 0 271.364 3.503 50 0 CHAARO CC[C@@H](C)[N@H+](C/C=C/c1ccco1)Cc1cccnc1 ZINC000055252390 1130266544 /nfs/dbraw/zinc/26/65/44/1130266544.db2.gz HTXCUIXOZBEWLR-SBJJXXPASA-N 1 0 270.376 3.989 50 0 CHAARO COc1cc(F)cc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000193066681 1131913440 /nfs/dbraw/zinc/91/34/40/1131913440.db2.gz UOTJXVFDLDNUHB-OAHLLOKOSA-N 1 0 275.323 3.595 50 0 CHAARO C[C@@H](CC[NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000952873224 1132015660 /nfs/dbraw/zinc/01/56/60/1132015660.db2.gz XKPPNJMTEJRIJB-HNNXBMFYSA-N 1 0 287.378 3.988 50 0 CHAARO C[C@@H]([NH2+]Cc1cc(F)ccc1-n1cccn1)C1=CCCCC1 ZINC000952976526 1132016725 /nfs/dbraw/zinc/01/67/25/1132016725.db2.gz SMBDTUMCGRUZKU-CQSZACIVSA-N 1 0 299.393 3.990 50 0 CHAARO Cc1ccc([C@H](C[NH2+][C@H](C)CC(C)C)N2CCCC2)o1 ZINC000097016738 230386156 /nfs/dbraw/zinc/38/61/56/230386156.db2.gz YYWWDHGYCMJTQP-ZBFHGGJFSA-N 1 0 278.440 3.749 50 0 CHAARO Fc1ccc(C[N@H+](CCc2cccnc2)CC2CC2)cc1 ZINC000095959881 185043872 /nfs/dbraw/zinc/04/38/72/185043872.db2.gz ZWUOXYJJRCFTSN-UHFFFAOYSA-N 1 0 284.378 3.675 50 0 CHAARO FC(F)(F)c1ccc2c(c1)C[NH2+]CC21CCCC1 ZINC000096032301 185066978 /nfs/dbraw/zinc/06/69/78/185066978.db2.gz GPJKNXWTIWZJIX-UHFFFAOYSA-N 1 0 255.283 3.620 50 0 CHAARO CCc1ncc(C[N@@H+](C)[C@H](CC)c2ccccc2)cn1 ZINC000220571879 529752388 /nfs/dbraw/zinc/75/23/88/529752388.db2.gz JGFNKQDGCDVKSX-MRXNPFEDSA-N 1 0 269.392 3.622 50 0 CHAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000106341639 529824902 /nfs/dbraw/zinc/82/49/02/529824902.db2.gz GWFPZNWTHIITBJ-IRXDYDNUSA-N 1 0 299.801 3.868 50 0 CHAARO C[N@H+](CCC1(O)CCCC1)Cc1ccc2cc(O)ccc2c1 ZINC000097657257 529875690 /nfs/dbraw/zinc/87/56/90/529875690.db2.gz RAWWHWLECLYLRG-UHFFFAOYSA-N 1 0 299.414 3.672 50 0 CHAARO COC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000127495191 187310360 /nfs/dbraw/zinc/31/03/60/187310360.db2.gz DCLWKIWDAOWICU-TUAOUCFPSA-N 1 0 291.313 3.678 50 0 CHAARO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)C1 ZINC000106638860 186130211 /nfs/dbraw/zinc/13/02/11/186130211.db2.gz HYVYTRFOOREVKP-ZIAGYGMSSA-N 1 0 282.387 3.509 50 0 CHAARO CCc1oc2ccccc2c1C[NH2+]CCc1cscn1 ZINC000108942258 186237178 /nfs/dbraw/zinc/23/71/78/186237178.db2.gz MUEAWDDTYNYETQ-UHFFFAOYSA-N 1 0 286.400 3.784 50 0 CHAARO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000110704174 186313819 /nfs/dbraw/zinc/31/38/19/186313819.db2.gz HXNWWUFIHQQJDH-XHSDSOJGSA-N 1 0 283.481 3.766 50 0 CHAARO Fc1cccc(N2CC3(CC[NH2+]CC3)[C@@H]2c2ccccc2)c1 ZINC000169676563 188661971 /nfs/dbraw/zinc/66/19/71/188661971.db2.gz FRMUQPNPCLLYOT-SFHVURJKSA-N 1 0 296.389 3.757 50 0 CHAARO Cc1cnc(CNc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)o1 ZINC000178007328 189084636 /nfs/dbraw/zinc/08/46/36/189084636.db2.gz FJQWHMSMOAXZTR-CQSZACIVSA-N 1 0 299.418 3.955 50 0 CHAARO C[C@H]([NH2+]Cc1ccnc(OCC2CC2)c1)c1ccsc1 ZINC000178040723 189087363 /nfs/dbraw/zinc/08/73/63/189087363.db2.gz MNBGITLPMFUUCE-LBPRGKRZSA-N 1 0 288.416 3.783 50 0 CHAARO Brc1ccc2c(C[NH+]3CCCCC3)c[nH]c2c1 ZINC000257961944 190038487 /nfs/dbraw/zinc/03/84/87/190038487.db2.gz HVXLJAKTMVNJPR-UHFFFAOYSA-N 1 0 293.208 3.916 50 0 CHAARO CC(C)(O)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000081644087 177835198 /nfs/dbraw/zinc/83/51/98/177835198.db2.gz VZQUZUSCEQZKMO-UHFFFAOYSA-N 1 0 269.388 3.527 50 0 CHAARO CCn1c2ccccc2[n+](CC)c1[C@@H](F)C(F)(F)F ZINC000001496632 169709940 /nfs/dbraw/zinc/70/99/40/169709940.db2.gz ZQYJRWVKDAIIFW-LLVKDONJSA-N 1 0 275.269 3.542 50 0 CHAARO [NH3+]CCSc1c2ccccc2[nH]c1-c1ccccc1 ZINC000002455187 169792553 /nfs/dbraw/zinc/79/25/53/169792553.db2.gz HMFRHODWXBWUNH-UHFFFAOYSA-N 1 0 268.385 3.886 50 0 CHAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000002514563 169798515 /nfs/dbraw/zinc/79/85/15/169798515.db2.gz UHAFFNNGBHASAO-UHFFFAOYSA-N 1 0 283.346 3.653 50 0 CHAARO CC[C@H](C)[NH2+]CCOCCOc1ccc2ccccc2c1 ZINC000002822267 169834799 /nfs/dbraw/zinc/83/47/99/169834799.db2.gz BIDIPKJEYOTRAV-HNNXBMFYSA-N 1 0 287.403 3.623 50 0 CHAARO CC[C@H](C)[NH2+]CCOc1cc(C)c(Cl)c(C)c1 ZINC000002825436 169835193 /nfs/dbraw/zinc/83/51/93/169835193.db2.gz GTIOHYPLRXLKGW-LBPRGKRZSA-N 1 0 255.789 3.724 50 0 CHAARO CCOc1ccc(OCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000002825075 169835291 /nfs/dbraw/zinc/83/52/91/169835291.db2.gz CBACYGAANQKZQR-HZPDHXFCSA-N 1 0 291.435 3.832 50 0 CHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000004834104 170026660 /nfs/dbraw/zinc/02/66/60/170026660.db2.gz SJCRQQDKUWTIJP-KRWDZBQOSA-N 1 0 297.398 3.615 50 0 CHAARO C[C@@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000004845461 170029891 /nfs/dbraw/zinc/02/98/91/170029891.db2.gz PKWKAMXYVZMMRJ-GFCCVEGCSA-N 1 0 298.224 3.560 50 0 CHAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@H+]1CCCC[C@@H]1C ZINC000004871566 170034882 /nfs/dbraw/zinc/03/48/82/170034882.db2.gz QJTXDDLFTGPNNU-ZDUSSCGKSA-N 1 0 284.403 3.842 50 0 CHAARO C[C@H]([NH2+]Cc1ccccn1)C12CC3CC(CC(C3)C1)C2 ZINC000004935074 170042182 /nfs/dbraw/zinc/04/21/82/170042182.db2.gz OEWQNQVEKGVCBE-IILDEKEXSA-N 1 0 270.420 3.776 50 0 CHAARO COc1ccc(CC[NH2+]C2CCCCCCC2)cc1 ZINC000004989422 170050056 /nfs/dbraw/zinc/05/00/56/170050056.db2.gz CYCRXOZXBZKFMH-UHFFFAOYSA-N 1 0 261.409 3.940 50 0 CHAARO COc1cc(C)c(C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000004990211 170050423 /nfs/dbraw/zinc/05/04/23/170050423.db2.gz CNHZNWHQXRSXJV-UHFFFAOYSA-N 1 0 281.399 3.870 50 0 CHAARO c1ccc(C(C[NH2+]C[C@H]2CCCO2)c2ccccc2)cc1 ZINC000004992645 170051346 /nfs/dbraw/zinc/05/13/46/170051346.db2.gz PFYGZRURHRYWBG-GOSISDBHSA-N 1 0 281.399 3.587 50 0 CHAARO CCC[NH+](CCC)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000005189546 170074857 /nfs/dbraw/zinc/07/48/57/170074857.db2.gz LDGKVBGZRQRJBK-UHFFFAOYSA-N 1 0 299.414 3.904 50 0 CHAARO Cc1cc(C)[n+](-c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000005378637 170091619 /nfs/dbraw/zinc/09/16/19/170091619.db2.gz XITXNOKRBKXCHN-UHFFFAOYSA-N 1 0 266.286 3.907 50 0 CHAARO COc1ccc(C[NH2+]C2CCCCCC2)c(OC)c1OC ZINC000005661307 170125058 /nfs/dbraw/zinc/12/50/58/170125058.db2.gz ATSUQRYSHNJAOK-UHFFFAOYSA-N 1 0 293.407 3.525 50 0 CHAARO CCCCc1c(C)nc2ccccc2c1SC(N)=[NH2+] ZINC000005808089 170141961 /nfs/dbraw/zinc/14/19/61/170141961.db2.gz WEHZGNMNLJTNKX-UHFFFAOYSA-N 1 0 273.405 3.871 50 0 CHAARO CCC[NH2+][C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000005937250 170158525 /nfs/dbraw/zinc/15/85/25/170158525.db2.gz MBSGOSNNUZUOFI-SFHVURJKSA-N 1 0 296.414 3.983 50 0 CHAARO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCCCC1 ZINC000006556218 170212809 /nfs/dbraw/zinc/21/28/09/170212809.db2.gz XLZBKUTZTMHYJM-CQSZACIVSA-N 1 0 282.387 3.653 50 0 CHAARO CC[NH2+]CCOc1cc(C)c(Cl)cc1C(C)C ZINC000006728822 170234348 /nfs/dbraw/zinc/23/43/48/170234348.db2.gz PGSZAAKVRBABEG-UHFFFAOYSA-N 1 0 255.789 3.760 50 0 CHAARO CC[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006788124 170244093 /nfs/dbraw/zinc/24/40/93/170244093.db2.gz CILWEQVQHBKYMA-IUCAKERBSA-N 1 0 289.206 3.709 50 0 CHAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007386121 170281973 /nfs/dbraw/zinc/28/19/73/170281973.db2.gz SGGPQDFATTWKIN-UPJWGTAASA-N 1 0 294.826 3.645 50 0 CHAARO [NH3+][C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000008710248 170348141 /nfs/dbraw/zinc/34/81/41/170348141.db2.gz MWNJYDIIEMBKTE-CYBMUJFWSA-N 1 0 291.276 3.630 50 0 CHAARO COc1ccc([C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000009047381 170362056 /nfs/dbraw/zinc/36/20/56/170362056.db2.gz LLBTWBHSCBMVQB-NVXWUHKLSA-N 1 0 291.435 3.940 50 0 CHAARO Clc1cccc(CN2c3ccccc3N3CCC[NH+]=C23)c1 ZINC000009250000 170368618 /nfs/dbraw/zinc/36/86/18/170368618.db2.gz TYOXWPZCTSTNCC-UHFFFAOYSA-N 1 0 297.789 3.926 50 0 CHAARO Cc1ccc(Cl)cc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000009997168 170393466 /nfs/dbraw/zinc/39/34/66/170393466.db2.gz ZWQGFTLKHGUTAB-RYUDHWBXSA-N 1 0 294.826 3.565 50 0 CHAARO c1[nH]c2ccccc2c1CC[NH2+]CC1CCCCC1 ZINC000010475285 170408225 /nfs/dbraw/zinc/40/82/25/170408225.db2.gz JGLMZVGXOFRHNM-UHFFFAOYSA-N 1 0 256.393 3.880 50 0 CHAARO C[C@H]1CC[C@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000019608942 170830359 /nfs/dbraw/zinc/83/03/59/170830359.db2.gz JZMSNXHBFBQKRJ-FYXZTFBWSA-N 1 0 284.447 3.506 50 0 CHAARO CCCCCCOc1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000019737901 170851127 /nfs/dbraw/zinc/85/11/27/170851127.db2.gz PXLSEKFYYRXMSB-KRWDZBQOSA-N 1 0 291.435 3.914 50 0 CHAARO COc1ccc(CC[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000019787197 170865906 /nfs/dbraw/zinc/86/59/06/170865906.db2.gz SSABSWMOXYAYHD-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000019789519 170867069 /nfs/dbraw/zinc/86/70/69/170867069.db2.gz WEUUGBGZAAIOQR-MAUKXSAKSA-N 1 0 290.426 3.522 50 0 CHAARO c1ccc(C[C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019848892 170897426 /nfs/dbraw/zinc/89/74/26/170897426.db2.gz LHVNPTMRAQQPID-KRWDZBQOSA-N 1 0 262.356 3.597 50 0 biogenic CHAARO COc1cccc2cc([C@H](C)[NH2+]Cc3ccncc3)oc21 ZINC000020140569 171026797 /nfs/dbraw/zinc/02/67/97/171026797.db2.gz XCHKGHZLVPUYDM-LBPRGKRZSA-N 1 0 282.343 3.687 50 0 CHAARO Cc1ccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000020168147 171040468 /nfs/dbraw/zinc/04/04/68/171040468.db2.gz MPQYZXUZHVKOLR-IAGOWNOFSA-N 1 0 291.435 3.572 50 0 CHAARO Cc1cccc(C)c1OCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167229 171041031 /nfs/dbraw/zinc/04/10/31/171041031.db2.gz QTZNHESGTDJNRS-IAGOWNOFSA-N 1 0 291.435 3.572 50 0 CHAARO CC(C)[C@@H](CC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000020573391 171255871 /nfs/dbraw/zinc/25/58/71/171255871.db2.gz HOSQHUKNCZIYJP-QGZVFWFLSA-N 1 0 294.870 3.717 50 0 CHAARO Cc1ccsc1C[N@H+]1CCC[C@H]1c1c(C)noc1C ZINC000021720415 171320816 /nfs/dbraw/zinc/32/08/16/171320816.db2.gz XFWJTMCZZXMERQ-ZDUSSCGKSA-N 1 0 276.405 3.998 50 0 CHAARO CCN(CC)CC[NH2+]C1(c2cccs2)CCCCC1 ZINC000022576773 171392576 /nfs/dbraw/zinc/39/25/76/171392576.db2.gz YCJCBAQBXPVVKU-UHFFFAOYSA-N 1 0 280.481 3.839 50 0 CHAARO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2)on1 ZINC000035511309 172242225 /nfs/dbraw/zinc/24/22/25/172242225.db2.gz GVRWNIMGSPECLJ-INIZCTEOSA-N 1 0 286.375 3.841 50 0 CHAARO COc1cccc(C[NH2+]Cc2c(C)cc(C)cc2C)c1 ZINC000037486647 173230144 /nfs/dbraw/zinc/23/01/44/173230144.db2.gz QGVYHWNUJFAXGQ-UHFFFAOYSA-N 1 0 269.388 3.910 50 0 CHAARO CC(C)C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000038095568 174109613 /nfs/dbraw/zinc/10/96/13/174109613.db2.gz DONACSAWZIPZOL-IRXDYDNUSA-N 1 0 261.409 3.933 50 0 CHAARO CC(C)(C)c1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000039979606 174181162 /nfs/dbraw/zinc/18/11/62/174181162.db2.gz GPGPKWWJNHTPQU-UHFFFAOYSA-N 1 0 293.414 3.922 50 0 CHAARO Cc1cc(OCC[C@H]2CCC[NH2+]C2)ccc1Br ZINC000042770605 174870973 /nfs/dbraw/zinc/87/09/73/174870973.db2.gz XDOCNISWKMYWKZ-GFCCVEGCSA-N 1 0 298.224 3.526 50 0 CHAARO Cc1cc(C(C)(C)C)ccc1OCC1CC[NH2+]CC1 ZINC000042774935 174873983 /nfs/dbraw/zinc/87/39/83/174873983.db2.gz VHPYICPHMWYUFU-UHFFFAOYSA-N 1 0 261.409 3.671 50 0 CHAARO Clc1ccc(OCC2CC[NH2+]CC2)c2ccccc12 ZINC000042782882 174878676 /nfs/dbraw/zinc/87/86/76/174878676.db2.gz PNRBUUBKBUNLIN-UHFFFAOYSA-N 1 0 275.779 3.872 50 0 CHAARO Brc1ccc(SC[C@H]2CCC[NH2+]C2)cc1 ZINC000043471728 175053715 /nfs/dbraw/zinc/05/37/15/175053715.db2.gz HZGSEUWGGYYBER-JTQLQIEISA-N 1 0 286.238 3.541 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)cc1 ZINC000044729303 175239509 /nfs/dbraw/zinc/23/95/09/175239509.db2.gz SOZKPOXLTUBTOK-LBPRGKRZSA-N 1 0 286.375 3.706 50 0 CHAARO C/C=C(\C)c1c(-c2ccccc2)ncn1[C@H]1CC[NH2+]C1 ZINC000065380277 175724468 /nfs/dbraw/zinc/72/44/68/175724468.db2.gz DHKPDMZXVPQYBR-TVBJEHIUSA-N 1 0 267.376 3.508 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000071837236 176273931 /nfs/dbraw/zinc/27/39/31/176273931.db2.gz RCXSZBZXPJCSBY-KRWDZBQOSA-N 1 0 269.392 3.739 50 0 CHAARO Cc1ccc([C@H](C)CC[NH+]2CC(c3ccccn3)C2)o1 ZINC000072169157 176332505 /nfs/dbraw/zinc/33/25/05/176332505.db2.gz LPZOEIHITLVMOB-CYBMUJFWSA-N 1 0 270.376 3.576 50 0 CHAARO Cc1nccn1C[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072171306 176332992 /nfs/dbraw/zinc/33/29/92/176332992.db2.gz CJLROCJWBNDUTI-LJQANCHMSA-N 1 0 297.446 3.536 50 0 CHAARO Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000072286595 176360560 /nfs/dbraw/zinc/36/05/60/176360560.db2.gz SCGBRXQVOHNYQJ-LJQANCHMSA-N 1 0 299.414 3.605 50 0 CHAARO c1ccc2nc(N3CCC[N@@H+](C4CCCC4)CC3)ccc2c1 ZINC000077407018 177264121 /nfs/dbraw/zinc/26/41/21/177264121.db2.gz RVXADWODFTXVJZ-UHFFFAOYSA-N 1 0 295.430 3.690 50 0 CHAARO c1cc(OCCCC[NH2+]C2CCCC2)cc2c1CCC2 ZINC000002844397 260010367 /nfs/dbraw/zinc/01/03/67/260010367.db2.gz SYBWGKRFEIUUHY-UHFFFAOYSA-N 1 0 273.420 3.867 50 0 CHAARO Cc1ccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000005739363 260019606 /nfs/dbraw/zinc/01/96/06/260019606.db2.gz BYKGNHGDMQKYEE-ZWKOTPCHSA-N 1 0 297.373 3.662 50 0 CHAARO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1cncc(F)c1 ZINC000089520258 260184986 /nfs/dbraw/zinc/18/49/86/260184986.db2.gz NLUPGGYRZZOFBH-JTQLQIEISA-N 1 0 296.292 3.673 50 0 CHAARO c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCc2ccccc21 ZINC000053602534 261713728 /nfs/dbraw/zinc/71/37/28/261713728.db2.gz PPGXXSWSJITSJG-IBGZPJMESA-N 1 0 289.382 3.649 50 0 CHAARO COc1ccc(C[N@H+](C)CCC[C@H]2CCCO2)cc1Cl ZINC000215038416 262338532 /nfs/dbraw/zinc/33/85/32/262338532.db2.gz VEORVMSFDAIBIL-AWEZNQCLSA-N 1 0 297.826 3.740 50 0 CHAARO COC(C)(C)C[C@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC000534585996 328315255 /nfs/dbraw/zinc/31/52/55/328315255.db2.gz NBAFLWCIUVQBSP-AWEZNQCLSA-N 1 0 261.409 3.777 50 0 CHAARO CCSC[C@@H](C)[NH2+]Cc1cc(-c2cccc(F)c2)no1 ZINC000534629402 328328267 /nfs/dbraw/zinc/32/82/67/328328267.db2.gz NRMZOSKCEFRCFZ-LLVKDONJSA-N 1 0 294.395 3.712 50 0 CHAARO C[C@@H](CC(F)(F)F)[NH2+]CCOc1cccc2cccnc21 ZINC000534659159 328341832 /nfs/dbraw/zinc/34/18/32/328341832.db2.gz MPYHMAHXBWJYRI-NSHDSACASA-N 1 0 298.308 3.544 50 0 CHAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc(C)n1 ZINC000534647313 328342717 /nfs/dbraw/zinc/34/27/17/328342717.db2.gz PACSFKWHBNQFQN-INIZCTEOSA-N 1 0 296.414 3.759 50 0 CHAARO CCCCCC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000048313832 326965097 /nfs/dbraw/zinc/96/50/97/326965097.db2.gz FXHVGYIRAMFOPN-UHFFFAOYSA-N 1 0 290.451 3.725 50 0 CHAARO Cc1ccc(-c2nccn2Cc2ccc(C[NH3+])cc2)cc1F ZINC000072437914 327110646 /nfs/dbraw/zinc/11/06/46/327110646.db2.gz LCXKPKMKVXXYLZ-UHFFFAOYSA-N 1 0 295.361 3.505 50 0 CHAARO Cc1c[nH+]ccc1N1CCC(OCC2CCCC2)CC1 ZINC000192672316 329435182 /nfs/dbraw/zinc/43/51/82/329435182.db2.gz MOWJOYIAFPTHHT-UHFFFAOYSA-N 1 0 274.408 3.566 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993332 330321417 /nfs/dbraw/zinc/32/14/17/330321417.db2.gz LFJHNAJSHNMNBM-MRXNPFEDSA-N 1 0 256.349 3.629 50 0 CHAARO CCC[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000185451793 333141068 /nfs/dbraw/zinc/14/10/68/333141068.db2.gz WRETUORKRRCNOY-SFHVURJKSA-N 1 0 296.414 3.690 50 0 CHAARO COc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000096479086 534102463 /nfs/dbraw/zinc/10/24/63/534102463.db2.gz GCKOMLZPWFBVLY-DGCLKSJQSA-N 1 0 290.432 3.742 50 0 CHAARO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCc1nccs1 ZINC000282796180 524712986 /nfs/dbraw/zinc/71/29/86/524712986.db2.gz YYGHDEPTLJTVQV-LLVKDONJSA-N 1 0 280.824 3.560 50 0 CHAARO Cc1ncc(C[NH2+]CCCc2c[nH]c3ccccc23)s1 ZINC000107714168 527271153 /nfs/dbraw/zinc/27/11/53/527271153.db2.gz ZWGQJGVIFWFMAD-UHFFFAOYSA-N 1 0 285.416 3.655 50 0 CHAARO Cc1ccc([C@@H](C)[NH2+]CCCCn2ccnc2C)s1 ZINC000095423162 567130556 /nfs/dbraw/zinc/13/05/56/567130556.db2.gz GETACFBUBKZILI-CYBMUJFWSA-N 1 0 277.437 3.692 50 0 CHAARO CC[C@@H](C)[NH2+]CCCOc1ccccc1Br ZINC000002823207 567932074 /nfs/dbraw/zinc/93/20/74/567932074.db2.gz PHFQKJYHBLEBKI-LLVKDONJSA-N 1 0 286.213 3.606 50 0 CHAARO C[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000048374200 570298096 /nfs/dbraw/zinc/29/80/96/570298096.db2.gz WYSKBNRMMKGVDI-LLVKDONJSA-N 1 0 262.378 3.635 50 0 CHAARO CCc1cnc(CC[NH2+][C@H](C)C2CCCCC2)s1 ZINC000170019698 570362175 /nfs/dbraw/zinc/36/21/75/570362175.db2.gz CRPAPHFEZQDNAV-GFCCVEGCSA-N 1 0 266.454 3.806 50 0 CHAARO CCc1cc(CCC[NH2+][C@H](C)c2csc(CC)n2)on1 ZINC000242263332 566826319 /nfs/dbraw/zinc/82/63/19/566826319.db2.gz XYEZXIDFMOQSLD-LLVKDONJSA-N 1 0 293.436 3.539 50 0 CHAARO CCCCC[C@H](C)[NH2+]Cc1cc(OC)ccc1OC ZINC000035133999 566895250 /nfs/dbraw/zinc/89/52/50/566895250.db2.gz YUALOCQDNCKIFV-ZDUSSCGKSA-N 1 0 265.397 3.762 50 0 CHAARO O=C1C2(CCCCC2)[C@H]([NH+]2CCCC2)[C@]12CC=CCC2 ZINC000043215042 566917607 /nfs/dbraw/zinc/91/76/07/566917607.db2.gz XPHRGMDHYLOARH-NVXWUHKLSA-N 1 0 273.420 3.711 50 0 CHAARO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)C12CCCCC2 ZINC000075092253 566935281 /nfs/dbraw/zinc/93/52/81/566935281.db2.gz IIRGZAREOFZPFD-SJORKVTESA-N 1 0 289.419 3.610 50 0 CHAARO Cc1cc(C)n(CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000075154720 566938859 /nfs/dbraw/zinc/93/88/59/566938859.db2.gz QBTOCGGXSZGTGU-UHFFFAOYSA-N 1 0 297.446 3.721 50 0 CHAARO c1csc(C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000575604154 566943118 /nfs/dbraw/zinc/94/31/18/566943118.db2.gz RKMRZWNAUNKXBD-UHFFFAOYSA-N 1 0 258.390 3.523 50 0 CHAARO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000016475837 566964632 /nfs/dbraw/zinc/96/46/32/566964632.db2.gz MXNXUGZLEBGSEG-UPJWGTAASA-N 1 0 294.826 3.645 50 0 CHAARO C[C@@H](C[N@H+](C)Cc1ccccc1)C(=O)c1ccccc1 ZINC000053934922 566970798 /nfs/dbraw/zinc/97/07/98/566970798.db2.gz OIVGLKASIPOPKY-HNNXBMFYSA-N 1 0 267.372 3.637 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000065479302 567007830 /nfs/dbraw/zinc/00/78/30/567007830.db2.gz QANRNMUWCPZKAL-XFBWCDHKSA-N 1 0 270.376 3.573 50 0 CHAARO CCOC(=O)[C@@H]1CCC[C@@H](C[N@H+]([C@@H](C)C(C)C)C2CC2)C1 ZINC000170598160 567012585 /nfs/dbraw/zinc/01/25/85/567012585.db2.gz BERZTNXWTQQVHJ-ARFHVFGLSA-N 1 0 295.467 3.865 50 0 CHAARO Cc1noc(C)c1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000042977874 567017742 /nfs/dbraw/zinc/01/77/42/567017742.db2.gz YSUVSEZOUWJUHA-UHFFFAOYSA-N 1 0 296.317 3.525 50 0 CHAARO CC(C)OCC[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089887865 567028380 /nfs/dbraw/zinc/02/83/80/567028380.db2.gz MXQGVPZDQJYCDM-UHFFFAOYSA-N 1 0 284.403 3.682 50 0 CHAARO COc1cccc(OCCCC[NH+]2CCCCCC2)c1 ZINC000002825265 567037434 /nfs/dbraw/zinc/03/74/34/567037434.db2.gz MHIZBYIPGGYXHT-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 CHAARO CCSc1ccc([C@H](C)[NH2+]C2CCOCC2)cc1 ZINC000095421781 567131713 /nfs/dbraw/zinc/13/17/13/567131713.db2.gz CFXCNGFCHNLBFQ-LBPRGKRZSA-N 1 0 265.422 3.628 50 0 CHAARO O=C(CC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000019681109 567123388 /nfs/dbraw/zinc/12/33/88/567123388.db2.gz UJRCWMNNXUJQGU-UHFFFAOYSA-N 1 0 299.801 3.971 50 0 CHAARO CC(C)c1ccc(OCCCCC[NH+]2CCOCC2)cc1 ZINC000020038052 567126697 /nfs/dbraw/zinc/12/66/97/567126697.db2.gz LZSRHXUWHUWWSM-UHFFFAOYSA-N 1 0 291.435 3.691 50 0 CHAARO COCC[C@H]([NH2+]Cc1cccs1)c1ccc(F)cc1 ZINC000095419355 567130920 /nfs/dbraw/zinc/13/09/20/567130920.db2.gz VRBAOFCXJTZLIS-HNNXBMFYSA-N 1 0 279.380 3.755 50 0 CHAARO Cc1cc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c(C)s1 ZINC000095422602 567131505 /nfs/dbraw/zinc/13/15/05/567131505.db2.gz KPJPXWRRBNRULJ-ADLMAVQZSA-N 1 0 287.494 3.563 50 0 CHAARO CCC[NH+](CCC)Cc1cc(F)cc2cccnc21 ZINC000097221090 567143034 /nfs/dbraw/zinc/14/30/34/567143034.db2.gz MTJSCNDVHZRCAN-UHFFFAOYSA-N 1 0 260.356 3.996 50 0 CHAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000057303736 567156249 /nfs/dbraw/zinc/15/62/49/567156249.db2.gz KRCVHDLQZUNNTM-GFCCVEGCSA-N 1 0 288.778 3.629 50 0 CHAARO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000230194937 567160689 /nfs/dbraw/zinc/16/06/89/567160689.db2.gz YAIAQZZXRXUJQH-DAXOMENPSA-N 1 0 280.843 3.673 50 0 CHAARO FC(F)(F)c1cccc(OCC[NH2+]Cc2ccccc2)c1 ZINC000003363321 567171882 /nfs/dbraw/zinc/17/18/82/567171882.db2.gz PHEPDUKMSVKWHZ-UHFFFAOYSA-N 1 0 295.304 3.874 50 0 CHAARO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH3+] ZINC000000169304 567821194 /nfs/dbraw/zinc/82/11/94/567821194.db2.gz DUJZUDMEISQWHO-UHFFFAOYSA-N 1 0 272.295 3.596 50 0 CHAARO C[NH+](C)CCN1c2ccccc2Sc2ccccc21 ZINC000000001432 567816564 /nfs/dbraw/zinc/81/65/64/567816564.db2.gz PFAXACNYGZVKMX-UHFFFAOYSA-N 1 0 270.401 3.851 50 0 in-man CHAARO COc1ccc(C[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000000172185 567821509 /nfs/dbraw/zinc/82/15/09/567821509.db2.gz JJULWJLJSJYAMA-UHFFFAOYSA-N 1 0 273.401 3.707 50 0 CHAARO Cc1ccc(-c2noc(C[N@H+]3[C@H](C)CCC[C@@H]3C)n2)cc1 ZINC000000203398 567821949 /nfs/dbraw/zinc/82/19/49/567821949.db2.gz CQUMGLVPEKJJSI-OKILXGFUSA-N 1 0 285.391 3.808 50 0 aggregator CHAARO C[N@H+](CCc1ccccn1)Cc1cccc2ccccc21 ZINC000000272257 567823581 /nfs/dbraw/zinc/82/35/81/567823581.db2.gz SLECRCVKIGDLEU-UHFFFAOYSA-N 1 0 276.383 3.909 50 0 CHAARO c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)cc2)cc1 ZINC000000357562 567826791 /nfs/dbraw/zinc/82/67/91/567826791.db2.gz QQYXAQMPMRUBMI-GOSISDBHSA-N 1 0 267.372 3.622 50 0 CHAARO CC1=C(CC[N@@H+](C)C2CCN(C)CC2)C(C)(C)CCC1 ZINC000000757178 567834629 /nfs/dbraw/zinc/83/46/29/567834629.db2.gz DEAHLRNUMKVITA-UHFFFAOYSA-N 1 0 278.484 3.929 50 0 CHAARO C[N@@H+]1CCC2=C(C1)[C@H](c1ccccc1)c1ccccc12 ZINC000000968340 567835269 /nfs/dbraw/zinc/83/52/69/567835269.db2.gz ISFHAYSTHMVOJR-LJQANCHMSA-N 1 0 261.368 3.921 50 0 world CHAARO Cc1cccc(C[NH+]2CCN(c3ccccc3C)CC2)c1 ZINC000001227605 567836350 /nfs/dbraw/zinc/83/63/50/567836350.db2.gz BAZMCRLCQYGKEN-UHFFFAOYSA-N 1 0 280.415 3.626 50 0 CHAARO O=C1C/C(=C\c2ccc(C(F)(F)F)cc2)[NH+]2CCC1CC2 ZINC000001396003 567837265 /nfs/dbraw/zinc/83/72/65/567837265.db2.gz JGGLRWMAQWNGKP-NTEUORMPSA-N 1 0 295.304 3.731 50 0 CHAARO CCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC000001530812 567837633 /nfs/dbraw/zinc/83/76/33/567837633.db2.gz LEBVLXFERQHONN-INIZCTEOSA-N 1 0 288.435 3.897 50 0 fda CHAARO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)CCCC(C)(C)O ZINC000002499168 567846407 /nfs/dbraw/zinc/84/64/07/567846407.db2.gz XKAWVQWKRHVDFP-GJZGRUSLSA-N 1 0 293.451 3.546 50 0 CHAARO O=C(c1cccc(F)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515064 567846787 /nfs/dbraw/zinc/84/67/87/567846787.db2.gz RXAIYJPXQAHPSN-UHFFFAOYSA-N 1 0 283.346 3.653 50 0 CHAARO C[NH+](C)CCCCOc1ccc(Cl)cc1Cl ZINC000002823220 567849355 /nfs/dbraw/zinc/84/93/55/567849355.db2.gz XZLKPAYWXFDMMN-UHFFFAOYSA-N 1 0 262.180 3.714 50 0 CHAARO CCCC[NH2+]CCOCCOc1cc(C(C)C)ccc1C ZINC000002974983 567850499 /nfs/dbraw/zinc/85/04/99/567850499.db2.gz NNMWXKQNKSEQPU-UHFFFAOYSA-N 1 0 293.451 3.904 50 0 CHAARO Cc1ccc(C(C)C)cc1OCCOCC[NH2+]C(C)(C)C ZINC000002975075 567850538 /nfs/dbraw/zinc/85/05/38/567850538.db2.gz FBPVWRABJQDJOJ-UHFFFAOYSA-N 1 0 293.451 3.902 50 0 CHAARO Brc1cccc(OCCCC[NH+]2CCCC2)c1 ZINC000003001086 567850877 /nfs/dbraw/zinc/85/08/77/567850877.db2.gz CQBDYQFNMLUESM-UHFFFAOYSA-N 1 0 298.224 3.704 50 0 CHAARO COc1cccc(-c2cccc(C[NH2+]C3CC3)c2)c1OC ZINC000067713925 567853264 /nfs/dbraw/zinc/85/32/64/567853264.db2.gz VRTHOMTYBBIDHH-UHFFFAOYSA-N 1 0 283.371 3.623 50 0 CHAARO [NH3+]Cc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000003709646 567853480 /nfs/dbraw/zinc/85/34/80/567853480.db2.gz SLZFKBZHWPHQHL-UHFFFAOYSA-N 1 0 259.161 3.576 50 0 CHAARO Cc1ccc(C(=O)O[C@H](C)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000003904900 567854332 /nfs/dbraw/zinc/85/43/32/567854332.db2.gz VMMIODCQIXEPNU-HRCADAONSA-N 1 0 289.419 3.803 50 0 CHAARO NC(=[NH2+])Sc1c2ccccc2[nH]c1-c1ccccc1 ZINC000003866114 567854334 /nfs/dbraw/zinc/85/43/34/567854334.db2.gz IYXKHTSVRKAEIO-UHFFFAOYSA-N 1 0 267.357 3.820 50 0 CHAARO C[C@H]([NH3+])Cc1c[nH]c2ccc(OCc3cccs3)cc12 ZINC000003995822 567854712 /nfs/dbraw/zinc/85/47/12/567854712.db2.gz ALFGDCNSEBJYSP-NSHDSACASA-N 1 0 286.400 3.698 50 0 in-vitro CHAARO O=C(CC[NH+]1CCCCCC1)Nc1ccc(Cl)cc1 ZINC000004162953 567855704 /nfs/dbraw/zinc/85/57/04/567855704.db2.gz NERUSDIYICYLPA-UHFFFAOYSA-N 1 0 280.799 3.545 50 0 CHAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OC ZINC000004657530 567858918 /nfs/dbraw/zinc/85/89/18/567858918.db2.gz DDQURXYJUQBVKD-UHFFFAOYSA-N 1 0 283.799 3.780 50 0 CHAARO CC(C)CCCN1CC[C@@H]([NH2+]C2CCCCC2)CCC1=O ZINC000012218278 567862629 /nfs/dbraw/zinc/86/26/29/567862629.db2.gz LFIGHUNRYNUIHJ-KRWDZBQOSA-N 1 0 294.483 3.726 50 0 CHAARO CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012338212 567862635 /nfs/dbraw/zinc/86/26/35/567862635.db2.gz YWQSVLKOPBUAOC-CQSZACIVSA-N 1 0 287.382 3.805 50 0 CHAARO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012584576 567863328 /nfs/dbraw/zinc/86/33/28/567863328.db2.gz VUPHNSBBVBRLKE-NSHDSACASA-N 1 0 291.782 3.764 50 0 CHAARO Fc1ccccc1-c1cc([C@H]2CCCCC[NH2+]2)on1 ZINC000013566801 567866713 /nfs/dbraw/zinc/86/67/13/567866713.db2.gz KBRWJJFDVOZCAC-CYBMUJFWSA-N 1 0 260.312 3.685 50 0 CHAARO c1ccc(-c2ccccc2OCC2CC[NH2+]CC2)cc1 ZINC000014631427 567869424 /nfs/dbraw/zinc/86/94/24/567869424.db2.gz GIUZGBNKXKPNHV-UHFFFAOYSA-N 1 0 267.372 3.732 50 0 CHAARO C[C@H]1C[N@@H+](C2CCCCC2)CC[C@@]1(O)c1ccccc1 ZINC000016310274 567872751 /nfs/dbraw/zinc/87/27/51/567872751.db2.gz HAAVQZPZYWUDMD-YJBOKZPZSA-N 1 0 273.420 3.549 50 0 CHAARO O[C@@H](C[NH2+]Cc1cccc2ccccc21)c1ccccc1 ZINC000016477523 567872928 /nfs/dbraw/zinc/87/29/28/567872928.db2.gz ZYWPUMMNNPPJAZ-IBGZPJMESA-N 1 0 277.367 3.663 50 0 CHAARO Nc1c2c([nH+]c3ccccc13)N(C1CCCCC1)CC2 ZINC000018116981 567876313 /nfs/dbraw/zinc/87/63/13/567876313.db2.gz IVZOSCLDRXLTLK-UHFFFAOYSA-N 1 0 267.376 3.512 50 0 CHAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000019359005 567877286 /nfs/dbraw/zinc/87/72/86/567877286.db2.gz NZOCCSUBAZMUQL-CRAIPNDOSA-N 1 0 290.426 3.522 50 0 CHAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1C[C@H]2C[C@@H]1CCC2 ZINC000019146911 567877319 /nfs/dbraw/zinc/87/73/19/567877319.db2.gz XOWPHZCWVOPGJJ-OCCSQVGLSA-N 1 0 272.348 3.617 50 0 CHAARO CCN(CC)CC[N@H+](C)C1CCC(c2ccccc2)CC1 ZINC000019636735 567878013 /nfs/dbraw/zinc/87/80/13/567878013.db2.gz MWXKPEOYDRTWIC-UHFFFAOYSA-N 1 0 288.479 3.986 50 0 CHAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)[NH2+]C(C)(C)C2 ZINC000019640158 567878483 /nfs/dbraw/zinc/87/84/83/567878483.db2.gz UOIZCSYSAXLUDJ-SFHVURJKSA-N 1 0 297.398 3.718 50 0 CHAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000019744317 567878745 /nfs/dbraw/zinc/87/87/45/567878745.db2.gz OXZUQRGFRUVTHX-OAHLLOKOSA-N 1 0 287.407 3.581 50 0 CHAARO CCN(CC)CC[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000019790622 567879061 /nfs/dbraw/zinc/87/90/61/567879061.db2.gz ATSUAZDYAGLGCM-GOSISDBHSA-N 1 0 299.462 3.785 50 0 CHAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000019842488 567879244 /nfs/dbraw/zinc/87/92/44/567879244.db2.gz ZURHLWABVSCWRZ-QAPCUYQASA-N 1 0 290.426 3.522 50 0 CHAARO c1ccc2c(c1)cccc2CN1CC[NH+](C2CCCC2)CC1 ZINC000019852199 567879313 /nfs/dbraw/zinc/87/93/13/567879313.db2.gz PQZFRXWFWUNLBP-UHFFFAOYSA-N 1 0 294.442 3.900 50 0 CHAARO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019881999 567879688 /nfs/dbraw/zinc/87/96/88/567879688.db2.gz HLHHDMMWSRCUBS-ZJUUUORDSA-N 1 0 256.187 3.898 50 0 CHAARO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000019882216 567879802 /nfs/dbraw/zinc/87/98/02/567879802.db2.gz ROSKTXKLTYIKJN-NXEZZACHSA-N 1 0 256.187 3.898 50 0 CHAARO c1ccc(N2CC[NH+](CC3CCCCCC3)CC2)cc1 ZINC000020255804 567880772 /nfs/dbraw/zinc/88/07/72/567880772.db2.gz PBXPHSUOGOWZLA-UHFFFAOYSA-N 1 0 272.436 3.779 50 0 CHAARO c1ccc(-c2cc(SCC[NH+]3CCCCC3)ncn2)cc1 ZINC000012000901 567881243 /nfs/dbraw/zinc/88/12/43/567881243.db2.gz JQAMZBQGVCIKJW-UHFFFAOYSA-N 1 0 299.443 3.722 50 0 CHAARO c1ccc2nc(N3CCC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000032587301 567885999 /nfs/dbraw/zinc/88/59/99/567885999.db2.gz VSYWZQBQWAEXLJ-INIZCTEOSA-N 1 0 295.430 3.547 50 0 CHAARO C[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000032917388 567886448 /nfs/dbraw/zinc/88/64/48/567886448.db2.gz ZGFIVFAJZNCZOU-UHFFFAOYSA-N 1 0 268.198 3.824 50 0 CHAARO CCOc1ccccc1OCCCC[NH+](CC)CC ZINC000016677418 567887711 /nfs/dbraw/zinc/88/77/11/567887711.db2.gz HHKXRSLTXVJJCX-UHFFFAOYSA-N 1 0 265.397 3.586 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)c1 ZINC000016662625 567887943 /nfs/dbraw/zinc/88/79/43/567887943.db2.gz IWSJNYGMEDQMRG-RHSMWYFYSA-N 1 0 272.436 3.614 50 0 CHAARO OCC[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000023281708 567888361 /nfs/dbraw/zinc/88/83/61/567888361.db2.gz DAQOQGVLOYOUPN-UHFFFAOYSA-N 1 0 291.394 3.834 50 0 CHAARO CCCc1ccc(OCC[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000042773769 567891500 /nfs/dbraw/zinc/89/15/00/567891500.db2.gz PUIGAPSCHUEHLX-OAHLLOKOSA-N 1 0 277.408 3.559 50 0 CHAARO CC(C)(C)c1ccc(OC2C[NH2+]C2)c(C(C)(C)C)c1 ZINC000042769570 567891759 /nfs/dbraw/zinc/89/17/59/567891759.db2.gz RWCMNENISZVCRZ-UHFFFAOYSA-N 1 0 261.409 3.632 50 0 CHAARO [NH3+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000055225501 567894216 /nfs/dbraw/zinc/89/42/16/567894216.db2.gz ASYITWYWBCCRPX-QMMMGPOBSA-N 1 0 257.177 3.658 50 0 CHAARO CC(C)OCc1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000095420469 567894391 /nfs/dbraw/zinc/89/43/91/567894391.db2.gz XVCMVTILOLZQEL-OAHLLOKOSA-N 1 0 291.435 3.516 50 0 CHAARO Cc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000075769253 567894574 /nfs/dbraw/zinc/89/45/74/567894574.db2.gz UPWMSCPALJQHEC-HOCLYGCPSA-N 1 0 297.402 3.810 50 0 CHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCCCC1 ZINC000058158601 567895547 /nfs/dbraw/zinc/89/55/47/567895547.db2.gz GKXFFKRNDJHMII-UHFFFAOYSA-N 1 0 297.446 3.971 50 0 CHAARO CCCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000060087752 567896823 /nfs/dbraw/zinc/89/68/23/567896823.db2.gz DDFSQLAHAFBWFZ-KRWDZBQOSA-N 1 0 254.377 3.693 50 0 CHAARO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000064666885 567897961 /nfs/dbraw/zinc/89/79/61/567897961.db2.gz AMBALUACOSHJJT-HNNXBMFYSA-N 1 0 286.375 3.719 50 0 CHAARO C/C(=C\c1ccccc1)CN1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000065385203 567898471 /nfs/dbraw/zinc/89/84/71/567898471.db2.gz OMPZPSCQSYZBIV-MOKGIYGOSA-N 1 0 284.447 3.649 50 0 CHAARO CCc1ccc(C[N@H+](C)Cc2ccnc3ccccc23)nc1 ZINC000065454947 567899125 /nfs/dbraw/zinc/89/91/25/567899125.db2.gz YZDXSDZISXLQDS-UHFFFAOYSA-N 1 0 291.398 3.824 50 0 CHAARO C[N@H+](Cc1ccc(Cl)nc1)Cc1cccc2cnccc21 ZINC000067724929 567900189 /nfs/dbraw/zinc/90/01/89/567900189.db2.gz OGRPSWLXLPEHGU-UHFFFAOYSA-N 1 0 297.789 3.915 50 0 CHAARO CC[N@H+](CCOc1c(C)cccc1C)Cc1ccccn1 ZINC000067840439 567900774 /nfs/dbraw/zinc/90/07/74/567900774.db2.gz GGGJYTLWGWOFEK-UHFFFAOYSA-N 1 0 284.403 3.599 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000067774370 567900788 /nfs/dbraw/zinc/90/07/88/567900788.db2.gz NLFVOIYUAXCMMZ-GFCCVEGCSA-N 1 0 297.402 3.884 50 0 CHAARO CC(C)c1oc([C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000068576844 567900993 /nfs/dbraw/zinc/90/09/93/567900993.db2.gz ZJIIRBDGXAVPMC-ZDUSSCGKSA-N 1 0 256.349 3.890 50 0 CHAARO Cc1nc(C[N@@H+]2CCC[C@H](c3ccccc3C)C2)co1 ZINC000072423902 567902761 /nfs/dbraw/zinc/90/27/61/567902761.db2.gz SJOJXJJOFPTELH-HNNXBMFYSA-N 1 0 270.376 3.671 50 0 CHAARO Cc1nc(CN2CCCC[C@@H]2c2ccc(F)cc2)co1 ZINC000072431861 567903733 /nfs/dbraw/zinc/90/37/33/567903733.db2.gz YHDAVQLVUQCPKV-MRXNPFEDSA-N 1 0 274.339 3.849 50 0 CHAARO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H]2C[C@@H]2C)n1 ZINC000097105619 567904620 /nfs/dbraw/zinc/90/46/20/567904620.db2.gz GKWHMOGCBNAMHQ-YOEHRIQHSA-N 1 0 295.430 3.752 50 0 CHAARO c1ncc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)s1 ZINC000097234726 567906218 /nfs/dbraw/zinc/90/62/18/567906218.db2.gz VBGLJGMSUAMROB-UHFFFAOYSA-N 1 0 295.411 3.914 50 0 CHAARO C[C@@H]1C[C@@H]([N@H+](C)C2CCC2)CCN1Cc1ccccc1 ZINC000095441673 567907785 /nfs/dbraw/zinc/90/77/85/567907785.db2.gz AGYDJTMPFLQYCT-QAPCUYQASA-N 1 0 272.436 3.524 50 0 CHAARO C[C@@H]1C[C@H]([N@H+](C)C2CCC2)CCN1Cc1ccccc1 ZINC000095441671 567907909 /nfs/dbraw/zinc/90/79/09/567907909.db2.gz AGYDJTMPFLQYCT-CRAIPNDOSA-N 1 0 272.436 3.524 50 0 CHAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cncnc2)cc1Cl ZINC000096162997 567909839 /nfs/dbraw/zinc/90/98/39/567909839.db2.gz SSMBKNPDYJDIGG-GFCCVEGCSA-N 1 0 287.794 3.781 50 0 CHAARO O=C(NCC1=CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097823658 567911345 /nfs/dbraw/zinc/91/13/45/567911345.db2.gz MFADYNAQCBBTHE-UHFFFAOYSA-N 1 0 298.430 3.513 50 0 CHAARO C[n+]1c(C=CNc2ccccc2)sc2ccccc21 ZINC000100007146 567911923 /nfs/dbraw/zinc/91/19/23/567911923.db2.gz WPAWCEDYOJAKSM-UHFFFAOYSA-O 1 0 267.377 3.809 50 0 in-vitro CHAARO CCOc1cc2c(cc1OCC)[C@@H]([C@@H](C)CC)[NH2+]CC2 ZINC000000141637 567923789 /nfs/dbraw/zinc/92/37/89/567923789.db2.gz IOEDBYAFSCGWPC-YVEFUNNKSA-N 1 0 277.408 3.717 50 0 CHAARO O[C@@H](c1ccccc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000000346123 567927024 /nfs/dbraw/zinc/92/70/24/567927024.db2.gz PVXJJESJYYEWMJ-OALUTQOASA-N 1 0 281.399 3.600 50 0 CHAARO Cc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)cc(C)c1O ZINC000253415905 567930541 /nfs/dbraw/zinc/93/05/41/567930541.db2.gz AUFMAJNIJAZRLD-UHFFFAOYSA-N 1 0 285.362 3.706 50 0 CHAARO COCC[NH2+]CCOc1c(C(C)C)cccc1C(C)C ZINC000002930849 567937844 /nfs/dbraw/zinc/93/78/44/567937844.db2.gz ZYVHSNCOJNDKJQ-UHFFFAOYSA-N 1 0 279.424 3.548 50 0 CHAARO [NH2+]=C(COc1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000003159247 567938893 /nfs/dbraw/zinc/93/88/93/567938893.db2.gz RWAWWXJWFLBNTL-UHFFFAOYSA-N 1 0 287.190 3.835 50 0 CHAARO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@@H]3CC=CC[C@H]3[C@@H]12 ZINC000102805862 567942060 /nfs/dbraw/zinc/94/20/60/567942060.db2.gz OUQFYCOJMMHQMV-JCGVRSQUSA-N 1 0 264.372 3.663 50 0 biogenic CHAARO COc1ccccc1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000013718443 567942187 /nfs/dbraw/zinc/94/21/87/567942187.db2.gz DPGWXSRIXDROHQ-CQSZACIVSA-N 1 0 255.361 3.589 50 0 CHAARO C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019823439 567944758 /nfs/dbraw/zinc/94/47/58/567944758.db2.gz YWXKCOCOLZXNMU-KPKJPENVSA-N 1 0 292.426 3.518 50 0 CHAARO Cc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000019962720 567945053 /nfs/dbraw/zinc/94/50/53/567945053.db2.gz BWQIDBABVNNJGX-MRXNPFEDSA-N 1 0 253.345 3.608 50 0 CHAARO O=C(CC1(c2ccccc2)CC[NH2+]CC1)c1ccccc1 ZINC000601013404 567951562 /nfs/dbraw/zinc/95/15/62/567951562.db2.gz UHISQLGJMKFRAP-UHFFFAOYSA-N 1 0 279.383 3.581 50 0 CHAARO [NH3+][C@H](c1ccncc1)c1ccc(OCc2ccccc2)cc1 ZINC000011832624 570220635 /nfs/dbraw/zinc/22/06/35/570220635.db2.gz KQHSVUCAUIYKQD-IBGZPJMESA-N 1 0 290.366 3.709 50 0 CHAARO Cc1cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)on1 ZINC000066898249 570245785 /nfs/dbraw/zinc/24/57/85/570245785.db2.gz WKYGYCQWKATKJP-INIZCTEOSA-N 1 0 270.376 3.753 50 0 CHAARO COc1cc(C[NH2+]C(C)C)ccc1OC1CCCC1 ZINC000004657604 570289304 /nfs/dbraw/zinc/28/93/04/570289304.db2.gz VFOIAEOGUPKXJF-UHFFFAOYSA-N 1 0 263.381 3.515 50 0 CHAARO c1ccc2oc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)nc2c1 ZINC000107327419 570293696 /nfs/dbraw/zinc/29/36/96/570293696.db2.gz KSVLOICKWMICNZ-UKRRQHHQSA-N 1 0 270.376 3.982 50 0 CHAARO COCC[C@@H]1CCC[N@H+](Cc2[nH]c3ccccc3c2C)C1 ZINC000215454726 570303379 /nfs/dbraw/zinc/30/33/79/570303379.db2.gz XWQZEVAHIAWRPI-HNNXBMFYSA-N 1 0 286.419 3.725 50 0 CHAARO C[C@]1(O)CCC[N@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC000215524913 570303383 /nfs/dbraw/zinc/30/33/83/570303383.db2.gz HJQKEVBHLNMLKY-AWEZNQCLSA-N 1 0 288.218 3.730 50 0 CHAARO C[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1 ZINC000001765639 570326170 /nfs/dbraw/zinc/32/61/70/570326170.db2.gz XIZFJFZATSHCAL-IYBDPMFKSA-N 1 0 253.389 3.838 50 0 CHAARO O[C@@H](C[NH2+]Cc1ccc2ccccc2c1)c1ccccc1 ZINC000035111697 570339438 /nfs/dbraw/zinc/33/94/38/570339438.db2.gz DVNIZVFLKYHUBG-IBGZPJMESA-N 1 0 277.367 3.663 50 0 CHAARO CC(C)Cn1cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cn1 ZINC000190961891 570352938 /nfs/dbraw/zinc/35/29/38/570352938.db2.gz ISQFHBMCRJDFAO-YJBOKZPZSA-N 1 0 298.434 3.517 50 0 CHAARO COc1cc([C@H](C)[NH2+]Cc2ccc3occc3c2)ccn1 ZINC000342287851 570354602 /nfs/dbraw/zinc/35/46/02/570354602.db2.gz USXTUEKWUBKXTQ-LBPRGKRZSA-N 1 0 282.343 3.687 50 0 CHAARO CC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000001853849 570355476 /nfs/dbraw/zinc/35/54/76/570355476.db2.gz AAIDTBKBIGJSMY-UHFFFAOYSA-N 1 0 282.387 3.510 50 0 CHAARO C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000075568147 570356211 /nfs/dbraw/zinc/35/62/11/570356211.db2.gz VRBLMNFODMQROW-PXNSSMCTSA-N 1 0 294.442 3.654 50 0 CHAARO CC1(C)CSCC[N@@H+]1CCCc1cccc(F)c1 ZINC000170616700 570363282 /nfs/dbraw/zinc/36/32/82/570363282.db2.gz MCZBNXNQCBWIKV-UHFFFAOYSA-N 1 0 267.413 3.586 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000095350324 570371854 /nfs/dbraw/zinc/37/18/54/570371854.db2.gz DKEAZMKTKRORNR-QGZVFWFLSA-N 1 0 285.391 3.804 50 0 CHAARO CC1(C)CCC[N@H+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000170639840 570372117 /nfs/dbraw/zinc/37/21/17/570372117.db2.gz QWWXVQGWMLSSCB-UHFFFAOYSA-N 1 0 292.467 3.505 50 0 CHAARO CC[C@H](C)C[N@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000170659238 570376030 /nfs/dbraw/zinc/37/60/30/570376030.db2.gz PYWLIISSNBPZAM-ZDUSSCGKSA-N 1 0 265.397 3.572 50 0 CHAARO Cc1c([C@@H]2CCCN2c2cc[nH+]c3ccccc32)cnn1C ZINC000253417186 570385309 /nfs/dbraw/zinc/38/53/09/570385309.db2.gz KFIDZHBWVOAKNT-KRWDZBQOSA-N 1 0 292.386 3.618 50 0 CHAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]([NH3+])CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000012479358 570395190 /nfs/dbraw/zinc/39/51/90/570395190.db2.gz WMEBIWWUBWHAOJ-CUZKMJQKSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069737533 570402195 /nfs/dbraw/zinc/40/21/95/570402195.db2.gz HULAMQHRSAXYQB-RDJZCZTQSA-N 1 0 294.398 3.503 50 0 CHAARO COc1ccc(Nc2[nH]c3ccc(C)cc3[nH+]2)cc1 ZINC000041596091 570404136 /nfs/dbraw/zinc/40/41/36/570404136.db2.gz PBWGIAQTNKQCMD-UHFFFAOYSA-N 1 0 253.305 3.624 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](C)[C@@H](C)CO)o1 ZINC000077420735 570405018 /nfs/dbraw/zinc/40/50/18/570405018.db2.gz UHFIKTIOBBEJTC-WCQYABFASA-N 1 0 291.366 3.501 50 0 CHAARO Cc1noc(C)c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000193165396 570412596 /nfs/dbraw/zinc/41/25/96/570412596.db2.gz DILOYTFVKQNTKF-UHFFFAOYSA-N 1 0 270.376 3.671 50 0 CHAARO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000229378067 1125493998 /nfs/dbraw/zinc/49/39/98/1125493998.db2.gz NFWGKGMZTXRFBL-BBRMVZONSA-N 1 0 280.843 3.502 50 0 CHAARO Cc1ccsc1C[N@@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000055325309 1125658964 /nfs/dbraw/zinc/65/89/64/1125658964.db2.gz HEXMBZRJXBZWSD-CQSZACIVSA-N 1 0 274.433 3.823 50 0 CHAARO CCC/C=C\CC[NH+]1CCC(OCC(C)C)CC1 ZINC000221990732 1125763407 /nfs/dbraw/zinc/76/34/07/1125763407.db2.gz ILGHWIIBAHDPCP-SREVYHEPSA-N 1 0 253.430 3.870 50 0 CHAARO Fc1ccccc1CC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000032560985 1127972779 /nfs/dbraw/zinc/97/27/79/1127972779.db2.gz IGRMDLHRJAKGJG-OAHLLOKOSA-N 1 0 279.424 3.586 50 0 CHAARO CC1=C[C@H](C)[C@H](C[N@H+]2CCO[C@H]2C(C)C)[C@@H](C)C1 ZINC000013778319 1118473648 /nfs/dbraw/zinc/47/36/48/1118473648.db2.gz ZINAYKAEPVIUEM-VGWMRTNUSA-N 1 0 251.414 3.539 50 0 CHAARO C/C=C/c1ccc(OCCC[NH2+][C@@H](C)CC)c(OC)c1 ZINC000002825041 1119045366 /nfs/dbraw/zinc/04/53/66/1119045366.db2.gz WMSMJFIAZKFKEU-GPAKFWEMSA-N 1 0 277.408 3.885 50 0 CHAARO Cc1ccc(C)c(OCCCCC[NH+]2CCCC2)c1 ZINC000002894229 1119146486 /nfs/dbraw/zinc/14/64/86/1119146486.db2.gz INRLCISASODGLR-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO CCCC[NH2+]CCCCCOc1ccccc1OC ZINC000002900502 1119155264 /nfs/dbraw/zinc/15/52/64/1119155264.db2.gz FOGFMPOLZWFUKM-UHFFFAOYSA-N 1 0 265.397 3.634 50 0 CHAARO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCO[C@H]1c1ccccc1 ZINC000252486918 1119531255 /nfs/dbraw/zinc/53/12/55/1119531255.db2.gz OJLYCWOBLDGNPS-SIXLDLHFSA-N 1 0 259.393 3.542 50 0 CHAARO COc1cc2c(NCc3cc(C)ccn3)cc[nH+]c2cc1F ZINC000338763072 1119600245 /nfs/dbraw/zinc/60/02/45/1119600245.db2.gz QVYPORALIKEDFB-UHFFFAOYSA-N 1 0 297.333 3.698 50 0 CHAARO CCC[NH2+][C@H]1CCCc2c3cc(OC)ccc3[nH]c21 ZINC000087817068 1120218913 /nfs/dbraw/zinc/21/89/13/1120218913.db2.gz OWTZPXKIPLSZQD-HNNXBMFYSA-N 1 0 258.365 3.554 50 0 CHAARO CC(C)[C@H]([NH2+]C[C@H]1CC=CCC1)c1nc(C2CC2)no1 ZINC000122949598 1120340343 /nfs/dbraw/zinc/34/03/43/1120340343.db2.gz JSERQIRYJMGKNG-JSGCOSHPSA-N 1 0 275.396 3.590 50 0 CHAARO CC(C)c1noc(CC[NH2+][C@@H](C)c2csc(Cl)c2)n1 ZINC000191359678 1128919484 /nfs/dbraw/zinc/91/94/84/1128919484.db2.gz HJNRPVBSGAVKHM-VIFPVBQESA-N 1 0 299.827 3.801 50 0 CHAARO COCC1(C[NH2+]Cc2ccc(Cl)cc2C)CCC1 ZINC000336797174 1121006615 /nfs/dbraw/zinc/00/66/15/1121006615.db2.gz ZEJQELVEVNEEAL-UHFFFAOYSA-N 1 0 267.800 3.555 50 0 CHAARO Cc1cc([C@H]2CCCC[N@@H+]2CCCc2cccnc2)no1 ZINC000243956766 1121452831 /nfs/dbraw/zinc/45/28/31/1121452831.db2.gz CDPQHBAYBNQDPO-QGZVFWFLSA-N 1 0 285.391 3.538 50 0 CHAARO CC(C)Cc1ccc(C[NH+]2CC(c3ccncc3)C2)s1 ZINC000821459976 1121926071 /nfs/dbraw/zinc/92/60/71/1121926071.db2.gz UIGYAPOTGIPXLJ-UHFFFAOYSA-N 1 0 286.444 3.941 50 0 CHAARO CCC[N@@H+](Cc1cccc(Cn2cccn2)c1)CC1CC1 ZINC000822910662 1121979364 /nfs/dbraw/zinc/97/93/64/1121979364.db2.gz FVXJVDGUJSRJQN-UHFFFAOYSA-N 1 0 283.419 3.553 50 0 CHAARO CCCc1nc(C[NH2+][C@H](CCO)C2CCCCC2)cs1 ZINC000183704735 1129088681 /nfs/dbraw/zinc/08/86/81/1129088681.db2.gz PKCBVFPZTRYYDO-OAHLLOKOSA-N 1 0 296.480 3.517 50 0 CHAARO CC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000035762872 1123628525 /nfs/dbraw/zinc/62/85/25/1123628525.db2.gz RPXFUNFOAAVJPC-JTQLQIEISA-N 1 0 272.211 3.596 50 0 CHAARO CCC[C@H](C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1)c1ccccc1 ZINC000222243489 1125287547 /nfs/dbraw/zinc/28/75/47/1125287547.db2.gz FXTDLOQKWDLYFF-KBAYOESNSA-N 1 0 275.436 3.663 50 0 CHAARO CSC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2nsnc2c1 ZINC000824870999 1129304607 /nfs/dbraw/zinc/30/46/07/1129304607.db2.gz JYPQHODCOPQPDU-SNVBAGLBSA-N 1 0 295.477 3.701 50 0 CHAARO Cc1ccc(C)c(Sc2ccccc2N2CC[NH2+]CC2)c1 ZINC000034019147 1129356931 /nfs/dbraw/zinc/35/69/31/1129356931.db2.gz OLSUXQFACZYSFC-UHFFFAOYSA-N 1 0 298.455 3.864 50 0 CHAARO C[N@H+](Cc1cccnc1)CC12CC3CC(CC(C3)C1)C2 ZINC000065410902 1129609973 /nfs/dbraw/zinc/60/99/73/1129609973.db2.gz QRUJDYYPZFGQQG-UHFFFAOYSA-N 1 0 270.420 3.730 50 0 CHAARO CCC[N@H+](CC1CC1)[C@@H](C)CCc1ccc(O)cc1 ZINC000000221634 1129737193 /nfs/dbraw/zinc/73/71/93/1129737193.db2.gz LJEFYDVGYRCRLR-AWEZNQCLSA-N 1 0 261.409 3.835 50 0 CHAARO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1C ZINC000000220098 1129737533 /nfs/dbraw/zinc/73/75/33/1129737533.db2.gz QLODLMUCFHGYSF-BETUJISGSA-N 1 0 261.409 3.790 50 0 CHAARO Clc1ccccc1C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000114909379 1129841345 /nfs/dbraw/zinc/84/13/45/1129841345.db2.gz QPTVIKKHXRUDKR-HNNXBMFYSA-N 1 0 286.806 3.709 50 0 CHAARO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000019761427 1129846380 /nfs/dbraw/zinc/84/63/80/1129846380.db2.gz AQLJPIVUCCPIHH-DLBZAZTESA-N 1 0 294.483 3.606 50 0 CHAARO COc1cccc(-c2ccc([C@H](C)[NH3+])c(F)c2)c1OC ZINC000665199236 1130676778 /nfs/dbraw/zinc/67/67/78/1130676778.db2.gz ZZLVSVKVYLJWIV-JTQLQIEISA-N 1 0 275.323 3.530 50 0 CHAARO COc1cccc2ccc(NCC(C)(C)[NH+]3CCCC3)nc21 ZINC000952869931 1132014765 /nfs/dbraw/zinc/01/47/65/1132014765.db2.gz QIJIGRSFQCBUBM-UHFFFAOYSA-N 1 0 299.418 3.530 50 0 CHAARO Cc1ncn(CC[NH2+]Cc2oc3ccc(C)cc3c2C)c1C ZINC000952972700 1132017487 /nfs/dbraw/zinc/01/74/87/1132017487.db2.gz GKRCUWZHMQCQEO-UHFFFAOYSA-N 1 0 297.402 3.653 50 0 CHAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)C1CC=CC1 ZINC000952977674 1132019010 /nfs/dbraw/zinc/01/90/10/1132019010.db2.gz YIHMFFRAZNMHDK-UHFFFAOYSA-N 1 0 284.403 3.577 50 0 CHAARO CC[N@@H+]1CCCC[C@H]1CNc1ccc2ccccc2n1 ZINC000301557741 1134479263 /nfs/dbraw/zinc/47/92/63/1134479263.db2.gz SSEINECACMDEMO-HNNXBMFYSA-N 1 0 269.392 3.521 50 0 CHAARO Cc1ccc(NC(=O)C[N@@H+](C)C2CCCCC2)c(Cl)c1 ZINC000007786572 230370176 /nfs/dbraw/zinc/37/01/76/230370176.db2.gz VGKSHCNUUOSNDN-UHFFFAOYSA-N 1 0 294.826 3.851 50 0 CHAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000097742888 230386981 /nfs/dbraw/zinc/38/69/81/230386981.db2.gz JVACXMVHWYMFKQ-BBRMVZONSA-N 1 0 297.801 3.606 50 0 CHAARO FC(F)(F)c1cccc([C@H]([NH2+]C[C@H]2CCOC2)C2CC2)c1 ZINC000408513768 230402870 /nfs/dbraw/zinc/40/28/70/230402870.db2.gz CCMDVFWPCJJSLL-IAQYHMDHSA-N 1 0 299.336 3.783 50 0 CHAARO C[C@H](c1ccccc1)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000095947921 185038229 /nfs/dbraw/zinc/03/82/29/185038229.db2.gz JXJUDOWNFXSLKZ-CRAIPNDOSA-N 1 0 296.414 3.686 50 0 CHAARO Cc1ccccc1[C@H]([NH2+][C@H](C)c1cnn(C)c1)C1CC1 ZINC000095967941 185046354 /nfs/dbraw/zinc/04/63/54/185046354.db2.gz BMLPANRPPYCKIC-CXAGYDPISA-N 1 0 269.392 3.530 50 0 CHAARO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc2ccccc2o1 ZINC000095968128 185046926 /nfs/dbraw/zinc/04/69/26/185046926.db2.gz GWPVQKBLQIGYOR-ODXCJYRJSA-N 1 0 293.432 3.631 50 0 CHAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1Oc1ccccc1)c1cnccn1 ZINC000097032865 185156369 /nfs/dbraw/zinc/15/63/69/185156369.db2.gz OENMATXWESJNRB-LESCRADOSA-N 1 0 297.402 3.517 50 0 CHAARO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)o1 ZINC000090727903 180032738 /nfs/dbraw/zinc/03/27/38/180032738.db2.gz QOPZJJRSBOSIGO-MWLCHTKSSA-N 1 0 262.353 3.647 50 0 CHAARO Cc1n[nH]cc1CCC[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000133096020 187665392 /nfs/dbraw/zinc/66/53/92/187665392.db2.gz JFNXHCUSHWHESG-IBGZPJMESA-N 1 0 299.462 3.816 50 0 CHAARO C[C@H](C[N@H+](C)Cc1ccc2ccccc2n1)c1nccs1 ZINC000183918721 189371118 /nfs/dbraw/zinc/37/11/18/189371118.db2.gz RUJDZAZWTWKNBI-CYBMUJFWSA-N 1 0 297.427 3.927 50 0 CHAARO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000225132463 189744701 /nfs/dbraw/zinc/74/47/01/189744701.db2.gz CTFVTRWWEXZJPZ-IJLUTSLNSA-N 1 0 291.420 3.837 50 0 CHAARO CC(C)CC[N@@H+]1C[C@H](C)[C@](O)(c2ccccc2)C[C@@H]1C ZINC000229908370 189802966 /nfs/dbraw/zinc/80/29/66/189802966.db2.gz NRNKPUIJZXENIG-BQFCYCMXSA-N 1 0 275.436 3.651 50 0 CHAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000093480681 184682349 /nfs/dbraw/zinc/68/23/49/184682349.db2.gz VXAOILQJGGWAGN-SJLPKXTDSA-N 1 0 286.419 3.800 50 0 CHAARO Fc1ccc(OCCCCCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000002289231 260009177 /nfs/dbraw/zinc/00/91/77/260009177.db2.gz GULXWPXWAAVKQF-QGZVFWFLSA-N 1 0 295.398 3.534 50 0 CHAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2[NH3+] ZINC000524732077 256784758 /nfs/dbraw/zinc/78/47/58/256784758.db2.gz WDTAJXMIXADUTH-BAMGFKBFSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000521394096 256855091 /nfs/dbraw/zinc/85/50/91/256855091.db2.gz JDUVRNMVYUITBU-NUTKFTJISA-N 1 0 277.383 3.682 50 0 CHAARO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000095420803 184976126 /nfs/dbraw/zinc/97/61/26/184976126.db2.gz DZACUUNWAHCIER-STQMWFEESA-N 1 0 283.375 3.887 50 0 CHAARO c1coc(-c2nnc(-c3ccccc3)n2-c2cc[nH+]cc2)c1 ZINC000001425319 169704282 /nfs/dbraw/zinc/70/42/82/169704282.db2.gz ZNQINHBAYPDXRC-UHFFFAOYSA-N 1 0 288.310 3.589 50 0 CHAARO Clc1cccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000000753464 134530217 /nfs/dbraw/zinc/53/02/17/134530217.db2.gz KFKMYTIGQRGQPI-HNNXBMFYSA-N 1 0 290.838 3.818 50 0 CHAARO CC[C@H](C)[NH2+]CCOCCOc1cc(C)c(Cl)c(C)c1 ZINC000002824162 169834507 /nfs/dbraw/zinc/83/45/07/169834507.db2.gz DXLYNCCYRVAILX-AWEZNQCLSA-N 1 0 299.842 3.740 50 0 CHAARO CC[C@H](C)[NH2+]CCCOc1ccc(C)cc1Cl ZINC000002823521 169834533 /nfs/dbraw/zinc/83/45/33/169834533.db2.gz LSTXSRURRVUZHP-LBPRGKRZSA-N 1 0 255.789 3.805 50 0 CHAARO CCc1ccccc1OCCCC[NH+]1CCCCC1 ZINC000002932075 169844871 /nfs/dbraw/zinc/84/48/71/169844871.db2.gz JZJDBAQXXFLGET-UHFFFAOYSA-N 1 0 261.409 3.894 50 0 CHAARO O[C@@]1(c2ccccc2)CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000003080589 169853569 /nfs/dbraw/zinc/85/35/69/169853569.db2.gz QMHZMMJDSLLMCF-UXHICEINSA-N 1 0 295.426 3.649 50 0 CHAARO Brc1ccc([C@@H]2CCCCC[NH2+]2)s1 ZINC000003735156 169910366 /nfs/dbraw/zinc/91/03/66/169910366.db2.gz DMXPSTCDCSLGCP-QMMMGPOBSA-N 1 0 260.200 3.715 50 0 in-vitro CHAARO CC(=O)c1cccc(OCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000004841427 170027696 /nfs/dbraw/zinc/02/76/96/170027696.db2.gz JDBJDACDKSYXJK-HNNXBMFYSA-N 1 0 289.419 3.780 50 0 CHAARO CC(=O)c1cccc(OCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004870265 170034874 /nfs/dbraw/zinc/03/48/74/170034874.db2.gz AAJUBBSMYPFYPC-GJZGRUSLSA-N 1 0 289.419 3.636 50 0 CHAARO c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004891867 170036993 /nfs/dbraw/zinc/03/69/93/170036993.db2.gz UZGDMLFZPIJWMB-MRXNPFEDSA-N 1 0 281.355 3.583 50 0 CHAARO C[NH+](C)CCOc1ccc2ccccc2c1Br ZINC000004906728 170040121 /nfs/dbraw/zinc/04/01/21/170040121.db2.gz CBVZBXOZUIJTRI-UHFFFAOYSA-N 1 0 294.192 3.543 50 0 CHAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccncc2)o1 ZINC000004942856 170043070 /nfs/dbraw/zinc/04/30/70/170043070.db2.gz HWZRCMGUFXATNS-UHFFFAOYSA-N 1 0 282.318 3.771 50 0 CHAARO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000004980578 170048556 /nfs/dbraw/zinc/04/85/56/170048556.db2.gz QLFDXJUIELKWRJ-QGZVFWFLSA-N 1 0 280.415 3.612 50 0 CHAARO COc1ccc(C[NH2+]C2CCCCCC2)c(OC)c1 ZINC000004986806 170049626 /nfs/dbraw/zinc/04/96/26/170049626.db2.gz BFTGQSUOZBLFCO-UHFFFAOYSA-N 1 0 263.381 3.516 50 0 CHAARO COc1cc(C[NH2+]C2CCCCCCC2)cc(OC)c1 ZINC000004989403 170049902 /nfs/dbraw/zinc/04/99/02/170049902.db2.gz BUMUXXXVACNWMV-UHFFFAOYSA-N 1 0 277.408 3.906 50 0 CHAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000004989275 170049983 /nfs/dbraw/zinc/04/99/83/170049983.db2.gz VXNOXHOGDBXKJQ-OAHLLOKOSA-N 1 0 299.414 3.815 50 0 CHAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000004989477 170050287 /nfs/dbraw/zinc/05/02/87/170050287.db2.gz DGTJZWBZJOTGRG-AWEZNQCLSA-N 1 0 287.378 3.945 50 0 CHAARO COc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OC ZINC000005019269 170056390 /nfs/dbraw/zinc/05/63/90/170056390.db2.gz CJTYFJFGYGRUAM-UHFFFAOYSA-N 1 0 297.807 3.709 50 0 CHAARO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000005072461 170064347 /nfs/dbraw/zinc/06/43/47/170064347.db2.gz GCTZSZZKSHJBJN-TXEJJXNPSA-N 1 0 277.799 3.751 50 0 CHAARO CC1(C)C[C@@](CC[NH3+])(Cc2ccccc2Cl)CCO1 ZINC000005478306 170103599 /nfs/dbraw/zinc/10/35/99/170103599.db2.gz YFTUDCNWQVREPF-MRXNPFEDSA-N 1 0 281.827 3.807 50 0 CHAARO COc1ccccc1C[NH2+]Cc1ccc(C)cc1C ZINC000005542279 170111318 /nfs/dbraw/zinc/11/13/18/170111318.db2.gz GUIHSDUJFDRVAI-UHFFFAOYSA-N 1 0 255.361 3.602 50 0 CHAARO COc1ccc(OC)c(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000005720315 170132954 /nfs/dbraw/zinc/13/29/54/170132954.db2.gz XCBDQSXGQDEWGH-SFHVURJKSA-N 1 0 297.398 3.871 50 0 CHAARO Clc1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)c1 ZINC000006697424 170226754 /nfs/dbraw/zinc/22/67/54/170226754.db2.gz HJTPZEDYTAWLQR-AWEZNQCLSA-N 1 0 291.778 3.869 50 0 CHAARO COc1cccc(C[NH2+]C2CC2)c1OCc1ccccc1 ZINC000006703688 170230521 /nfs/dbraw/zinc/23/05/21/170230521.db2.gz HUMQVLDJTIHGEP-UHFFFAOYSA-N 1 0 283.371 3.526 50 0 CHAARO CCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1 ZINC000006745984 170239017 /nfs/dbraw/zinc/23/90/17/170239017.db2.gz CGPXQHLRSFVUHO-CYBMUJFWSA-N 1 0 257.381 3.603 50 0 CHAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007538899 170290265 /nfs/dbraw/zinc/29/02/65/170290265.db2.gz DSURYYZMBWFIQW-LBPRGKRZSA-N 1 0 293.794 3.769 50 0 CHAARO CC[C@@H](CCNCc1ccc(C)o1)[NH2+]Cc1ccc(C)o1 ZINC000008480547 170337291 /nfs/dbraw/zinc/33/72/91/170337291.db2.gz DLQMXCFABCMHSV-HNNXBMFYSA-N 1 0 290.407 3.538 50 0 CHAARO c1ccc(OCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000008741158 170353316 /nfs/dbraw/zinc/35/33/16/170353316.db2.gz JZGHBBVINUYCBY-SFHVURJKSA-N 1 0 282.387 3.688 50 0 biogenic CHAARO C[NH+]1CCC2(CC1)O[C@@H]1CCCC[C@@H]1c1sccc12 ZINC000008782741 170355894 /nfs/dbraw/zinc/35/58/94/170355894.db2.gz JVVJQXXUHSTANP-GXTWGEPZSA-N 1 0 277.433 3.725 50 0 CHAARO C[NH+]1CCC2(CC1)O[C@H]1CCCC[C@H]1c1sccc12 ZINC000008782738 170356094 /nfs/dbraw/zinc/35/60/94/170356094.db2.gz JVVJQXXUHSTANP-OCCSQVGLSA-N 1 0 277.433 3.725 50 0 CHAARO CSC[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000012074453 170468666 /nfs/dbraw/zinc/46/86/66/170468666.db2.gz UDCRNHAELDETHY-SNVBAGLBSA-N 1 0 262.422 3.626 50 0 CHAARO c1ccc(-c2ccc(OC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000012137827 170470285 /nfs/dbraw/zinc/47/02/85/170470285.db2.gz MDVRKAYQQIZQKM-HNNXBMFYSA-N 1 0 267.372 3.732 50 0 CHAARO CCC(C)(C)[NH2+]Cc1cccc(Br)c1 ZINC000013717954 170581206 /nfs/dbraw/zinc/58/12/06/170581206.db2.gz SIDFRFQMBKJVNC-UHFFFAOYSA-N 1 0 256.187 3.727 50 0 CHAARO Clc1ccc(O[C@H]2CC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000014632294 170640478 /nfs/dbraw/zinc/64/04/78/170640478.db2.gz FDZIEVZAPVOSFO-INIZCTEOSA-N 1 0 287.790 3.672 50 0 CHAARO C[C@H]([NH2+]Cc1cccc(O)c1)c1cccc(Cl)c1 ZINC000020124299 171006758 /nfs/dbraw/zinc/00/67/58/171006758.db2.gz BTUJPHUQQIAJRL-NSHDSACASA-N 1 0 261.752 3.896 50 0 CHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000020187661 171052650 /nfs/dbraw/zinc/05/26/50/171052650.db2.gz GGRQPYCMIUYYIG-GFCCVEGCSA-N 1 0 288.416 3.866 50 0 CHAARO CC(C)[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000020305329 171141656 /nfs/dbraw/zinc/14/16/56/171141656.db2.gz NCJMGRHWPYUJSJ-JTQLQIEISA-N 1 0 256.187 3.583 50 0 CHAARO Cc1ccc(C(C)C)c(OCCC2CC[NH2+]CC2)c1 ZINC000020593597 171262917 /nfs/dbraw/zinc/26/29/17/171262917.db2.gz JOVXHBTWTSKAKM-UHFFFAOYSA-N 1 0 261.409 3.887 50 0 CHAARO FC(F)(F)c1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000020593580 171263090 /nfs/dbraw/zinc/26/30/90/171263090.db2.gz GWYHTERACIYKLW-LLVKDONJSA-N 1 0 273.298 3.616 50 0 CHAARO CCC[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000020931475 171280776 /nfs/dbraw/zinc/28/07/76/171280776.db2.gz GBGSXNMPBDDPGL-UHFFFAOYSA-N 1 0 271.788 3.637 50 0 CHAARO CCc1ccc(C[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000021014579 171289129 /nfs/dbraw/zinc/28/91/29/171289129.db2.gz NDTICWHPRHEGNZ-AWEZNQCLSA-N 1 0 257.377 3.953 50 0 CHAARO N[C@H](c1ccc(Cl)cc1)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000021303909 171301753 /nfs/dbraw/zinc/30/17/53/171301753.db2.gz HHPPUZSHKRJDIW-OKILXGFUSA-N 1 0 281.186 3.693 50 0 CHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000021720644 171321174 /nfs/dbraw/zinc/32/11/74/171321174.db2.gz IGQPYTVZFWTEFK-MRXNPFEDSA-N 1 0 270.376 3.937 50 0 CHAARO CCCCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCC1 ZINC000021785137 171322591 /nfs/dbraw/zinc/32/25/91/171322591.db2.gz NSCOTBOOBOWWRH-CQSZACIVSA-N 1 0 271.408 3.993 50 0 CHAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000022078199 171352466 /nfs/dbraw/zinc/35/24/66/171352466.db2.gz NDOZPBNTVAXUDP-XHDPSFHLSA-N 1 0 299.245 3.662 50 0 CHAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000022078196 171352549 /nfs/dbraw/zinc/35/25/49/171352549.db2.gz NDOZPBNTVAXUDP-IAQYHMDHSA-N 1 0 299.245 3.662 50 0 CHAARO CC[C@H]([NH2+]C1CC1)c1ccc(Br)cc1 ZINC000022176983 171371155 /nfs/dbraw/zinc/37/11/55/171371155.db2.gz BXXKISRNSWZPIZ-LBPRGKRZSA-N 1 0 254.171 3.652 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257776 172088931 /nfs/dbraw/zinc/08/89/31/172088931.db2.gz CLNWRRSKWPLHBE-QWRGUYRKSA-N 1 0 276.302 3.502 50 0 CHAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@H]1c1cccs1 ZINC000035538256 172244928 /nfs/dbraw/zinc/24/49/28/172244928.db2.gz YODUZVFEFNJHTM-HNNXBMFYSA-N 1 0 289.448 3.907 50 0 CHAARO CC[C@@H]([NH2+]C1CC1)c1cccc(Br)c1 ZINC000037183806 173015513 /nfs/dbraw/zinc/01/55/13/173015513.db2.gz BNGPPIHTVAQZLJ-GFCCVEGCSA-N 1 0 254.171 3.652 50 0 CHAARO CCn1c(C[NH2+][C@@H](C)Cc2cccs2)nc2ccccc21 ZINC000038046810 174055620 /nfs/dbraw/zinc/05/56/20/174055620.db2.gz SVJIRRBDILJTHG-ZDUSSCGKSA-N 1 0 299.443 3.839 50 0 CHAARO C[C@H](C1CC1)[N@H+](Cc1nc(-c2cccs2)no1)C1CC1 ZINC000046060049 175391229 /nfs/dbraw/zinc/39/12/29/175391229.db2.gz IYBNJQLQTMMMBW-SNVBAGLBSA-N 1 0 289.404 3.561 50 0 CHAARO CCCC1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000049545250 175486850 /nfs/dbraw/zinc/48/68/50/175486850.db2.gz AABRZRNJNMDXEG-UHFFFAOYSA-N 1 0 253.430 3.630 50 0 CHAARO C[C@@H](c1cccc(-c2nccn2Cc2ccoc2)c1)[NH+](C)C ZINC000067804456 175793525 /nfs/dbraw/zinc/79/35/25/175793525.db2.gz JWWNUKHQIDSZMC-AWEZNQCLSA-N 1 0 295.386 3.814 50 0 CHAARO COc1ccc([C@](C)(CC[NH+](C)C)c2ccccc2)cc1 ZINC000071771139 176262485 /nfs/dbraw/zinc/26/24/85/176262485.db2.gz QUWYMXKOCXTRQY-LJQANCHMSA-N 1 0 283.415 3.953 50 0 CHAARO CSc1cccc([C@@H]([NH3+])c2cc(F)ccc2F)c1 ZINC000071790394 176262859 /nfs/dbraw/zinc/26/28/59/176262859.db2.gz AVGQIDXHXCYGQX-CQSZACIVSA-N 1 0 265.328 3.735 50 0 CHAARO COCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000071887948 176290417 /nfs/dbraw/zinc/29/04/17/176290417.db2.gz YSEKPLJPWJCMEB-UHFFFAOYSA-N 1 0 269.388 3.725 50 0 CHAARO CCn1ccc2ccc(C[NH+]3CC(c4ccncc4)C3)cc21 ZINC000072122526 176319865 /nfs/dbraw/zinc/31/98/65/176319865.db2.gz TUCFFYUVSBZEDS-UHFFFAOYSA-N 1 0 291.398 3.656 50 0 CHAARO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3nonc3c2)cc1 ZINC000072152898 176328174 /nfs/dbraw/zinc/32/81/74/176328174.db2.gz FJUVCTHEXWDPGE-KRWDZBQOSA-N 1 0 297.333 3.699 50 0 CHAARO c1coc(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000072165705 176331024 /nfs/dbraw/zinc/33/10/24/176331024.db2.gz XWGGGNYLTWZKRT-AWEZNQCLSA-N 1 0 295.386 3.611 50 0 CHAARO c1nc2ccccn2c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000072272611 176355198 /nfs/dbraw/zinc/35/51/98/176355198.db2.gz GAVGKCINDIYQCO-KRWDZBQOSA-N 1 0 277.371 3.502 50 0 CHAARO C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1cccnc1 ZINC000076395866 177015455 /nfs/dbraw/zinc/01/54/55/177015455.db2.gz UVUYDHJTPFNGCA-NSHDSACASA-N 1 0 296.292 3.831 50 0 CHAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000078553160 177353643 /nfs/dbraw/zinc/35/36/43/177353643.db2.gz ASTLZTSCRGOWDR-SECBINFHSA-N 1 0 295.789 3.680 50 0 CHAARO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000078739020 177380051 /nfs/dbraw/zinc/38/00/51/177380051.db2.gz SEIJXLZAUXTPIB-HOTGVXAUSA-N 1 0 296.414 3.797 50 0 CHAARO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ccncc1 ZINC000037232070 260076335 /nfs/dbraw/zinc/07/63/35/260076335.db2.gz ZIDJWGDYIYFRNN-OAHLLOKOSA-N 1 0 268.404 3.928 50 0 CHAARO c1ccc(COc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000023282068 266022938 /nfs/dbraw/zinc/02/29/38/266022938.db2.gz KFYNBJXDHCHISD-UHFFFAOYSA-N 1 0 267.372 3.861 50 0 CHAARO Cc1c(Cl)cccc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007811362 326822100 /nfs/dbraw/zinc/82/21/00/326822100.db2.gz QMMOLIBYCUKGHP-RYUDHWBXSA-N 1 0 294.826 3.565 50 0 CHAARO C[C@H]([NH2+]Cc1ccccc1Cl)[C@H](O)c1ccccc1 ZINC000019871871 326857789 /nfs/dbraw/zinc/85/77/89/326857789.db2.gz KCYXVAXVDNWVJI-LRDDRELGSA-N 1 0 275.779 3.552 50 0 CHAARO Cc1c[nH+]ccc1N1CCC(OCCc2ccccc2)CC1 ZINC000191981084 329427701 /nfs/dbraw/zinc/42/77/01/329427701.db2.gz IYFSHMICXCAOFZ-UHFFFAOYSA-N 1 0 296.414 3.618 50 0 CHAARO Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]3C)on2)cc1 ZINC000076115186 334073149 /nfs/dbraw/zinc/07/31/49/334073149.db2.gz AJXHCLZBFQZLFZ-CYBMUJFWSA-N 1 0 256.349 3.634 50 0 CHAARO COc1ccc(Oc2cc(C[NH2+][C@H](C)C3CC3)ccn2)cc1 ZINC000177227723 335368740 /nfs/dbraw/zinc/36/87/40/335368740.db2.gz BYYAHMDYJGMOTR-CYBMUJFWSA-N 1 0 298.386 3.771 50 0 CHAARO C[C@H]([NH2+]Cc1ccoc1)c1cc(Br)cs1 ZINC000193988784 533936721 /nfs/dbraw/zinc/93/67/21/533936721.db2.gz TYGBMZUBLFSTBK-QMMMGPOBSA-N 1 0 286.194 3.954 50 0 CHAARO Clc1ccc(C2([NH2+]Cc3cccnc3)CCC2)cc1 ZINC000125971547 534637800 /nfs/dbraw/zinc/63/78/00/534637800.db2.gz LZZHJVACNFSNCQ-UHFFFAOYSA-N 1 0 272.779 3.904 50 0 CHAARO Cc1cnc([C@H](C)[NH2+][C@H](C)Cc2ccsc2)s1 ZINC000096479080 534658397 /nfs/dbraw/zinc/65/83/97/534658397.db2.gz GYLBFPCIJHFZGC-KOLCDFICSA-N 1 0 266.435 3.795 50 0 CHAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000004986984 523981774 /nfs/dbraw/zinc/98/17/74/523981774.db2.gz QDHNOLCPGQGJBR-CQSZACIVSA-N 1 0 287.378 3.945 50 0 CHAARO Cc1nccn1CCCC[NH2+][C@H]1CCCc2sccc21 ZINC000096478382 534768707 /nfs/dbraw/zinc/76/87/07/534768707.db2.gz JTSJHIIVLYZNJG-HNNXBMFYSA-N 1 0 289.448 3.700 50 0 CHAARO CSc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000019872148 526005514 /nfs/dbraw/zinc/00/55/14/526005514.db2.gz IAOBRCUYXDCAQZ-GUYCJALGSA-N 1 0 287.428 3.620 50 0 CHAARO Cc1nc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)oc1C ZINC000247916433 526874442 /nfs/dbraw/zinc/87/44/42/526874442.db2.gz MOXMIWMXQQWZPD-IAQYHMDHSA-N 1 0 288.366 3.809 50 0 CHAARO CCC(C)(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000019233128 528608161 /nfs/dbraw/zinc/60/81/61/528608161.db2.gz XPCSGDJILQAJRM-CQSZACIVSA-N 1 0 261.409 3.753 50 0 CHAARO Clc1cc(Cl)c(O[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC000042774518 567891678 /nfs/dbraw/zinc/89/16/78/567891678.db2.gz FXIDKJYZEJWDCH-SECBINFHSA-N 1 0 282.170 3.887 50 0 CHAARO CC(C)(C)c1cc(Cl)ccc1OC1CC[NH2+]CC1 ZINC000042775324 567892043 /nfs/dbraw/zinc/89/20/43/567892043.db2.gz LDNMMNNROPYIPQ-UHFFFAOYSA-N 1 0 267.800 3.768 50 0 CHAARO CCCCn1c[n+](COC2CCCC2)c2ccccc21 ZINC000230519845 566822941 /nfs/dbraw/zinc/82/29/41/566822941.db2.gz OYOCZURQGMGBSU-UHFFFAOYSA-N 1 0 273.400 3.646 50 0 CHAARO C[C@H](c1ccc(-c2ccsc2)cc1)[NH+]1CCOCC1 ZINC000032553297 566864015 /nfs/dbraw/zinc/86/40/15/566864015.db2.gz JUKFBTKSPQGVBH-CYBMUJFWSA-N 1 0 273.401 3.808 50 0 CHAARO c1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc2c1OCO2 ZINC000016663049 566878208 /nfs/dbraw/zinc/87/82/08/566878208.db2.gz FBTJXUABPIYEHS-HUUCEWRRSA-N 1 0 273.376 3.570 50 0 CHAARO C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000000411569 566905437 /nfs/dbraw/zinc/90/54/37/566905437.db2.gz HTDXYODRGKMOEA-CQSZACIVSA-N 1 0 282.387 3.510 50 0 CHAARO CC(C)[C@@H]1CCC(C[NH+](C)C)=C(Br)C1 ZINC000043199215 566916910 /nfs/dbraw/zinc/91/69/10/566916910.db2.gz PPCIXCMMVWOYEH-SNVBAGLBSA-N 1 0 260.219 3.653 50 0 CHAARO Cc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)o1 ZINC000252481278 566973535 /nfs/dbraw/zinc/97/35/35/566973535.db2.gz UPWMSCPALJQHEC-GDBMZVCRSA-N 1 0 297.402 3.810 50 0 CHAARO Cc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)o1 ZINC000252481279 566973655 /nfs/dbraw/zinc/97/36/55/566973655.db2.gz UPWMSCPALJQHEC-GOEBONIOSA-N 1 0 297.402 3.810 50 0 CHAARO c1ccc(N=NC2=CC([NH+]3CCCC3)CCC2)cc1 ZINC000252679576 566977020 /nfs/dbraw/zinc/97/70/20/566977020.db2.gz OMGNGZOLYFJDBP-UHFFFAOYSA-N 1 0 255.365 3.618 50 0 CHAARO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCn1ccnc1 ZINC000089558964 566984396 /nfs/dbraw/zinc/98/43/96/566984396.db2.gz NPYIAJHMBHGOJE-LBPRGKRZSA-N 1 0 292.452 3.512 50 0 CHAARO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C ZINC000036104444 566993525 /nfs/dbraw/zinc/99/35/25/566993525.db2.gz OZRXTOJMDPWTGY-LJQANCHMSA-N 1 0 283.415 3.768 50 0 CHAARO CC1=C[C@H](C)[C@H](C[N@H+]2CCO[C@H]2C(C)C)[C@H](C)C1 ZINC000239439023 567010056 /nfs/dbraw/zinc/01/00/56/567010056.db2.gz ZINAYKAEPVIUEM-FZKCQIBNSA-N 1 0 251.414 3.539 50 0 CHAARO COc1ccc(C[N@H+](CC(C)C)CC(C)(C)C)nc1 ZINC000170591799 567012080 /nfs/dbraw/zinc/01/20/80/567012080.db2.gz NJHFXMILWCNVBX-UHFFFAOYSA-N 1 0 264.413 3.594 50 0 CHAARO CCn1cc(CC[NH2+][C@H](c2ccccc2)C(C)(C)C)cn1 ZINC000170607474 567013993 /nfs/dbraw/zinc/01/39/93/567013993.db2.gz GNNYLUSWHCUXRA-QGZVFWFLSA-N 1 0 285.435 3.823 50 0 CHAARO C[C@H](CC[NH+]1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000170607047 567014207 /nfs/dbraw/zinc/01/42/07/567014207.db2.gz AXCCNXREHNWVMH-OAHLLOKOSA-N 1 0 283.419 3.783 50 0 CHAARO Cc1cccc(C[N@@H+](C)Cc2cc(C)nc3ccccc23)n1 ZINC000076093207 567030302 /nfs/dbraw/zinc/03/03/02/567030302.db2.gz PYYGJJVMCBKGPU-UHFFFAOYSA-N 1 0 291.398 3.879 50 0 CHAARO CCCOc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000002822837 567037481 /nfs/dbraw/zinc/03/74/81/567037481.db2.gz TXXWLOZCYUANIW-OAHLLOKOSA-N 1 0 277.408 3.586 50 0 CHAARO C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@]1(C)CCCO1 ZINC000252486014 567058129 /nfs/dbraw/zinc/05/81/29/567058129.db2.gz HHDHAHFRPZZKNU-KDOFPFPSSA-N 1 0 269.388 3.887 50 0 CHAARO C[C@H]([NH2+]Cc1cccc2ccccc21)[C@]1(C)CCCO1 ZINC000252486016 567058764 /nfs/dbraw/zinc/05/87/64/567058764.db2.gz HHDHAHFRPZZKNU-KSSFIOAISA-N 1 0 269.388 3.887 50 0 CHAARO CC(C)[C@H](C[NH2+][C@@H](C)C1CCC1)Nc1ccccc1 ZINC000170670098 567066260 /nfs/dbraw/zinc/06/62/60/567066260.db2.gz YHVFAVRDMQYPTI-YOEHRIQHSA-N 1 0 260.425 3.901 50 0 CHAARO Cc1ccc(-c2cncc(C[NH+]3CCCC3)c2)cc1 ZINC000037553701 567067904 /nfs/dbraw/zinc/06/79/04/567067904.db2.gz RZYPWIAPIYTSMT-UHFFFAOYSA-N 1 0 252.361 3.653 50 0 CHAARO Cc1ccccc1C[N@@H+](C[C@H]1CCCCO1)C(C)C ZINC000095389765 567129126 /nfs/dbraw/zinc/12/91/26/567129126.db2.gz HRCRQWMMADSRDE-QGZVFWFLSA-N 1 0 261.409 3.775 50 0 CHAARO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)CCc1ccccc1)CCC2 ZINC000095402206 567129136 /nfs/dbraw/zinc/12/91/36/567129136.db2.gz VOGUPXQIKUDKHM-QAPCUYQASA-N 1 0 297.446 3.680 50 0 CHAARO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(C)s1 ZINC000095420091 567131375 /nfs/dbraw/zinc/13/13/75/567131375.db2.gz XCKUDSJRQALNRN-GFCCVEGCSA-N 1 0 276.405 3.701 50 0 CHAARO CC(C)C[C@H](C)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000095457071 567134430 /nfs/dbraw/zinc/13/44/30/567134430.db2.gz GHRCACKUQSMIDE-HNNXBMFYSA-N 1 0 294.483 3.582 50 0 CHAARO c1ccc(OCCC[NH+]2CC3CCC(CC3)C2)cc1 ZINC000096027271 567139215 /nfs/dbraw/zinc/13/92/15/567139215.db2.gz DHCWQQHIXJKNAC-UHFFFAOYSA-N 1 0 259.393 3.578 50 0 CHAARO CCC[C@]12CC[C@@H]3c4ccc(O)cc4CC[N@@H+]3[C@@H]1CCC2=O ZINC000096028058 567139405 /nfs/dbraw/zinc/13/94/05/567139405.db2.gz KKAVQDMECOIUDA-LMMKCTJWSA-N 1 0 299.414 3.603 50 0 CHAARO c1ccc(O[C@@H]2CCC[NH2+][C@H]2c2ccccc2)cc1 ZINC000096027212 567139445 /nfs/dbraw/zinc/13/94/45/567139445.db2.gz NMSLARHWBMBDOA-SJORKVTESA-N 1 0 253.345 3.559 50 0 CHAARO C[C@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)c1nccn1C ZINC000097038230 567143995 /nfs/dbraw/zinc/14/39/95/567143995.db2.gz NGZNXLOSGINMSB-XJKSGUPXSA-N 1 0 283.419 3.784 50 0 CHAARO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccs2)C2CC2)C12CCC2 ZINC000230223181 567161375 /nfs/dbraw/zinc/16/13/75/567161375.db2.gz PGEDMXQKTUGDRT-MJBXVCDLSA-N 1 0 292.448 3.532 50 0 CHAARO C[C@H]1Cc2ccccc2[C@@H](CCc2ccccc2)[NH2+]1 ZINC000003208766 567161981 /nfs/dbraw/zinc/16/19/81/567161981.db2.gz GWHXMUJKGXTFTL-KBXCAEBGSA-N 1 0 251.373 3.895 50 0 biogenic CHAARO CC(C)[C@H](C)[NH2+]C1CCN(c2cccc(Cl)c2)CC1 ZINC000032511617 567194878 /nfs/dbraw/zinc/19/48/78/567194878.db2.gz UAKJDOFJJBVSNW-ZDUSSCGKSA-N 1 0 280.843 3.943 50 0 CHAARO c1coc(CNc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000000122793 567818939 /nfs/dbraw/zinc/81/89/39/567818939.db2.gz IVFZEZZTZUDYCQ-UHFFFAOYSA-N 1 0 264.328 3.929 50 0 CHAARO C[C@H]1CCCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000000279673 567823597 /nfs/dbraw/zinc/82/35/97/567823597.db2.gz CRUMGYMOSHONKN-KRWDZBQOSA-N 1 0 286.463 3.568 50 0 CHAARO C[NH+](C)CCC(=O)[C@H](Cc1ccccc1)c1ccccc1 ZINC000000346304 567825898 /nfs/dbraw/zinc/82/58/98/567825898.db2.gz CKBPBVOQBKBRML-GOSISDBHSA-N 1 0 281.399 3.534 50 0 CHAARO c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)cc2)cc1 ZINC000000357564 567826796 /nfs/dbraw/zinc/82/67/96/567826796.db2.gz QQYXAQMPMRUBMI-SFHVURJKSA-N 1 0 267.372 3.622 50 0 CHAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000019881997 567879640 /nfs/dbraw/zinc/87/96/40/567879640.db2.gz VERWMFMRAAXIBX-NXEZZACHSA-N 1 0 256.187 3.898 50 0 CHAARO c1ccc(CN2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000000518541 567833398 /nfs/dbraw/zinc/83/33/98/567833398.db2.gz TWZCZLLZJDKWFN-UHFFFAOYSA-N 1 0 262.356 3.726 50 0 biogenic CHAARO Cn1c2ccccc2nc1NCc1ccccc1Cl ZINC000000530664 567833494 /nfs/dbraw/zinc/83/34/94/567833494.db2.gz PBTQSNQMDKWLNT-UHFFFAOYSA-N 1 0 271.751 3.839 50 0 aggregator CHAARO C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000000570853 567833679 /nfs/dbraw/zinc/83/36/79/567833679.db2.gz LGMSUOYLOSQNRH-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO C[NH+](C)CCCC1(O)c2ccccc2C=Cc2ccccc21 ZINC000000984478 567835290 /nfs/dbraw/zinc/83/52/90/567835290.db2.gz VMLRQKQUOMJJAN-UHFFFAOYSA-N 1 0 293.410 3.748 50 0 CHAARO CC1(C)C[C@](CC[NH+]2CCCC2)(c2ccccc2)CCO1 ZINC000001255334 567836662 /nfs/dbraw/zinc/83/66/62/567836662.db2.gz YEPJCKVUKZDYKS-LJQANCHMSA-N 1 0 287.447 3.999 50 0 CHAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cccc(Cl)c1 ZINC000002514895 567846405 /nfs/dbraw/zinc/84/64/05/567846405.db2.gz LOVNXPOTAFTIQM-UHFFFAOYSA-N 1 0 297.785 3.943 50 0 CHAARO O=C(c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514489 567846434 /nfs/dbraw/zinc/84/64/34/567846434.db2.gz SBKBEDMRMXTWFQ-UHFFFAOYSA-N 1 0 279.383 3.904 50 0 CHAARO Cc1ccccc1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514545 567846453 /nfs/dbraw/zinc/84/64/53/567846453.db2.gz LRULAXYCVLUNAR-UHFFFAOYSA-N 1 0 279.383 3.822 50 0 CHAARO O=C(c1ccccc1C[NH+]1CCCCC1)C1CCC1 ZINC000002515536 567846821 /nfs/dbraw/zinc/84/68/21/567846821.db2.gz XFTQFZWVQDEPCN-UHFFFAOYSA-N 1 0 257.377 3.655 50 0 CHAARO O=C(c1ccccc1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515487 567846875 /nfs/dbraw/zinc/84/68/75/567846875.db2.gz PLDWVFNHNCLBKJ-UHFFFAOYSA-N 1 0 279.383 3.904 50 0 CHAARO CC(=O)c1ccccc1OCCCC[NH+]1CCCCC1 ZINC000002845845 567849315 /nfs/dbraw/zinc/84/93/15/567849315.db2.gz LAQHLRXYTMKDGD-UHFFFAOYSA-N 1 0 275.392 3.534 50 0 CHAARO CC[NH+](CC)CCCCCOc1ccc(OC)cc1 ZINC000002880301 567850128 /nfs/dbraw/zinc/85/01/28/567850128.db2.gz GVYKGLVUQYSDPM-UHFFFAOYSA-N 1 0 265.397 3.586 50 0 CHAARO c1ccc2cc(OCCC[NH+]3CCCC3)ccc2c1 ZINC000002880540 567850179 /nfs/dbraw/zinc/85/01/79/567850179.db2.gz IDLCZFVPLYDJSI-UHFFFAOYSA-N 1 0 255.361 3.705 50 0 CHAARO Cc1cc(OCCCC[NH+]2CCCC2)ccc1Cl ZINC000002933346 567850504 /nfs/dbraw/zinc/85/05/04/567850504.db2.gz WEJDVUFQRGVQMX-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO CCCC[NH2+]CCOc1c(Cl)cccc1Cl ZINC000002931484 567850507 /nfs/dbraw/zinc/85/05/07/567850507.db2.gz NAFGGMMDZBYHGV-UHFFFAOYSA-N 1 0 262.180 3.762 50 0 CHAARO CCCC[NH2+]CCOCCOc1ccc(Cl)c(CC)c1 ZINC000002981058 567851045 /nfs/dbraw/zinc/85/10/45/567851045.db2.gz FUZHYIWLQSHTFL-UHFFFAOYSA-N 1 0 299.842 3.688 50 0 CHAARO C[C@H]1C[NH+](C2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000003683638 567853658 /nfs/dbraw/zinc/85/36/58/567853658.db2.gz OWBYPXYTTWMOTK-HESLUPGFSA-N 1 0 253.430 3.701 50 0 CHAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1F ZINC000003904959 567854165 /nfs/dbraw/zinc/85/41/65/567854165.db2.gz RVQIYLDWJBKUAL-HZSPNIEDSA-N 1 0 293.382 3.634 50 0 CHAARO CC[C@@H]1C[C@@H]2CC[N@@H+]1[C@H]([C@H](O)c1ccnc3ccccc31)C2 ZINC000004115596 567855486 /nfs/dbraw/zinc/85/54/86/567855486.db2.gz YGSPYMMGHMAUNZ-QABNGEJJSA-N 1 0 296.414 3.531 50 0 CHAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cnc(Cl)s1 ZINC000005721008 567859716 /nfs/dbraw/zinc/85/97/16/567859716.db2.gz OIWOVKUIMUZSTC-LLVKDONJSA-N 1 0 280.824 3.907 50 0 CHAARO Cn1cccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126875966 567860784 /nfs/dbraw/zinc/86/07/84/567860784.db2.gz SBUANZRZJUIOGK-AWEZNQCLSA-N 1 0 295.386 3.546 50 0 CHAARO CC(C)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000010435785 567861305 /nfs/dbraw/zinc/86/13/05/567861305.db2.gz GTNGUPMJCARYLB-UHFFFAOYSA-N 1 0 255.361 3.764 50 0 CHAARO CC(C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000010435916 567861489 /nfs/dbraw/zinc/86/14/89/567861489.db2.gz JKRJFQHRCGSPAX-UHFFFAOYSA-N 1 0 255.361 3.764 50 0 CHAARO C[C@@H](C[NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000010475189 567861740 /nfs/dbraw/zinc/86/17/40/567861740.db2.gz ZKCWONYBMYHMMY-AWEZNQCLSA-N 1 0 257.352 3.762 50 0 CHAARO c1ccc(Cc2ccccc2OCC2CC[NH2+]CC2)cc1 ZINC000012138675 567862272 /nfs/dbraw/zinc/86/22/72/567862272.db2.gz DCZISWQVYTVAMT-UHFFFAOYSA-N 1 0 281.399 3.656 50 0 CHAARO C/C(=C\c1ccccc1)C[N@H+](CCO)Cc1ccccc1 ZINC000012342821 567862511 /nfs/dbraw/zinc/86/25/11/567862511.db2.gz IGZJDLMERVSOCW-SAPNQHFASA-N 1 0 281.399 3.584 50 0 CHAARO Cc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)n1 ZINC000012448128 567863717 /nfs/dbraw/zinc/86/37/17/567863717.db2.gz YQAJEANRKGUCNZ-GOSISDBHSA-N 1 0 299.393 3.606 50 0 CHAARO c1c(-c2ccccc2)n2c([n+]1CCc1ccccc1)CCC2 ZINC000013759674 567867579 /nfs/dbraw/zinc/86/75/79/567867579.db2.gz MQSDETUOPVVJDT-UHFFFAOYSA-N 1 0 289.402 3.632 50 0 CHAARO CC[N@H+](CC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000014136118 567868391 /nfs/dbraw/zinc/86/83/91/567868391.db2.gz HPUWFQOSNXOMNV-UHFFFAOYSA-N 1 0 294.826 3.933 50 0 CHAARO COc1cccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c1 ZINC000015356865 567870680 /nfs/dbraw/zinc/87/06/80/567870680.db2.gz VSTOAIZVFFWVSC-UHFFFAOYSA-N 1 0 294.354 3.640 50 0 CHAARO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000032901352 567871196 /nfs/dbraw/zinc/87/11/96/567871196.db2.gz BQOIKWIZARSYFR-GOSISDBHSA-N 1 0 291.398 3.910 50 0 CHAARO Cc1cc([C@@H]2CCCN2Cc2ccc(C)s2)no1 ZINC000015866861 567871554 /nfs/dbraw/zinc/87/15/54/567871554.db2.gz LSDWQCQSVWIMQY-AWEZNQCLSA-N 1 0 262.378 3.690 50 0 CHAARO Cc1ccc(-n2ncc3c2ncnc3NCC(C)C)cc1C ZINC000017120386 567874772 /nfs/dbraw/zinc/87/47/72/567874772.db2.gz OKTGKAQKVUUGEZ-UHFFFAOYSA-N 1 0 295.390 3.500 50 0 CHAARO Cc1ccc(-c2ccc(C[NH2+]CCN(C)C)o2)cc1Cl ZINC000019214413 567877221 /nfs/dbraw/zinc/87/72/21/567877221.db2.gz URMQYESPAPKZIR-UHFFFAOYSA-N 1 0 292.810 3.560 50 0 CHAARO CC[N@@H+](CCC1=C(C)CCCC1(C)C)CCN(C)C ZINC000019608766 567878216 /nfs/dbraw/zinc/87/82/16/567878216.db2.gz BXNBEAWCNVYNGD-UHFFFAOYSA-N 1 0 266.473 3.787 50 0 CHAARO COc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2C)cc1 ZINC000019737651 567878307 /nfs/dbraw/zinc/87/83/07/567878307.db2.gz JBOKHAJDYOZODE-HNNXBMFYSA-N 1 0 285.387 3.561 50 0 CHAARO Clc1ccc(CC[NH2+]Cc2ccncc2)c(Cl)c1 ZINC000019720386 567878515 /nfs/dbraw/zinc/87/85/15/567878515.db2.gz UYPUCXYEVMBBJL-UHFFFAOYSA-N 1 0 281.186 3.721 50 0 CHAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3F)CC2)C1 ZINC000019842431 567879123 /nfs/dbraw/zinc/87/91/23/567879123.db2.gz YQJPGSDHPPYAJK-WBVHZDCISA-N 1 0 290.426 3.522 50 0 CHAARO Fc1ccccc1C[NH2+]Cc1ccc(Br)cc1 ZINC000019949583 567880074 /nfs/dbraw/zinc/88/00/74/567880074.db2.gz PCHIGUZTYGWYMH-UHFFFAOYSA-N 1 0 294.167 3.878 50 0 CHAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(Cl)c1C ZINC000043174261 567880509 /nfs/dbraw/zinc/88/05/09/567880509.db2.gz GEANVDFZRAXYIX-NSHDSACASA-N 1 0 297.830 3.500 50 0 CHAARO Cc1ccc(C(C)C)cc1OCCCC[NH+]1CCOCC1 ZINC000020118479 567880900 /nfs/dbraw/zinc/88/09/00/567880900.db2.gz FGSXHEGPVFYFJS-UHFFFAOYSA-N 1 0 291.435 3.610 50 0 CHAARO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)o1 ZINC000022023262 567881256 /nfs/dbraw/zinc/88/12/56/567881256.db2.gz GWRJELWYUFTEQN-INIZCTEOSA-N 1 0 256.349 3.710 50 0 CHAARO Nc1ccccc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000031775792 567885097 /nfs/dbraw/zinc/88/50/97/567885097.db2.gz MPRLHELMLFULGS-DZGCQCFKSA-N 1 0 276.449 3.625 50 0 biogenic CHAARO COCc1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000070938918 567885163 /nfs/dbraw/zinc/88/51/63/567885163.db2.gz OAUQAILWZPODCT-UHFFFAOYSA-N 1 0 280.371 3.604 50 0 CHAARO C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000214851 567887515 /nfs/dbraw/zinc/88/75/15/567887515.db2.gz ZRLLHUDFZDCCPR-CZUORRHYSA-N 1 0 278.827 3.651 50 0 CHAARO Cc1cc(C)cc(OCCCCCC[NH+]2CCOCC2)c1 ZINC000019639829 567887740 /nfs/dbraw/zinc/88/77/40/567887740.db2.gz UXYPKHSWIATAON-UHFFFAOYSA-N 1 0 291.435 3.575 50 0 CHAARO Fc1cccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019300567 567888042 /nfs/dbraw/zinc/88/80/42/567888042.db2.gz XRGMJPZNCWYTRL-INIZCTEOSA-N 1 0 266.319 3.542 50 0 biogenic CHAARO FC(F)(F)c1cccc(CCC2CC[NH2+]CC2)c1 ZINC000036379564 567889322 /nfs/dbraw/zinc/88/93/22/567889322.db2.gz UWLCBTXSCHGZCR-UHFFFAOYSA-N 1 0 257.299 3.638 50 0 CHAARO [NH3+][C@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000036379702 567889394 /nfs/dbraw/zinc/88/93/94/567889394.db2.gz RFWDQVNFSXQMMI-MRVPVSSYSA-N 1 0 258.070 3.946 50 0 CHAARO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH3+] ZINC000042288996 567891223 /nfs/dbraw/zinc/89/12/23/567891223.db2.gz AJBZVMQIODFKQN-ZETCQYMHSA-N 1 0 297.221 3.901 50 0 CHAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1Br ZINC000042419223 567891663 /nfs/dbraw/zinc/89/16/63/567891663.db2.gz WDTWUBOMMXEIHP-WDEREUQCSA-N 1 0 270.214 3.973 50 0 CHAARO CCc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770890 567891742 /nfs/dbraw/zinc/89/17/42/567891742.db2.gz PWGNABJESQSLPJ-ZDUSSCGKSA-N 1 0 267.800 3.813 50 0 CHAARO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000055224938 567894183 /nfs/dbraw/zinc/89/41/83/567894183.db2.gz KNKRSDHBHHZXPF-CQSZACIVSA-N 1 0 258.365 3.721 50 0 CHAARO CCc1nc(C)c([C@@H](C)[N@H+](C)CCc2ccccn2)s1 ZINC000096424498 567897039 /nfs/dbraw/zinc/89/70/39/567897039.db2.gz GWJJNDTZEWSBMC-CYBMUJFWSA-N 1 0 289.448 3.644 50 0 CHAARO Fc1ccc2c(c1)[nH]cc2C1=CC[N@H+](Cc2ccno2)CC1 ZINC000076994435 567897464 /nfs/dbraw/zinc/89/74/64/567897464.db2.gz DDLZTDMLLYNDCZ-UHFFFAOYSA-N 1 0 297.333 3.584 50 0 CHAARO COCC[N@H+](CC[C@@H](C)SC)Cc1sccc1C ZINC000063833370 567897729 /nfs/dbraw/zinc/89/77/29/567897729.db2.gz SYNURGAOHVCHBU-CYBMUJFWSA-N 1 0 287.494 3.647 50 0 CHAARO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000064666890 567898107 /nfs/dbraw/zinc/89/81/07/567898107.db2.gz WMUTXCSKBXBQSJ-MRXNPFEDSA-N 1 0 270.376 3.883 50 0 CHAARO Cc1cnc(C)c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n1 ZINC000065369864 567898507 /nfs/dbraw/zinc/89/85/07/567898507.db2.gz UWRDNEAZPYIDJP-HNNXBMFYSA-N 1 0 281.403 3.917 50 0 CHAARO Cc1ccc(NC(=O)C[NH2+]C[C@H](C)c2ccccc2)c(C)c1 ZINC000065372075 567898569 /nfs/dbraw/zinc/89/85/69/567898569.db2.gz QRIBZXJRBHJZRN-INIZCTEOSA-N 1 0 296.414 3.635 50 0 CHAARO CCC[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067490022 567900195 /nfs/dbraw/zinc/90/01/95/567900195.db2.gz JOEIKGZNPKBSRA-UHFFFAOYSA-N 1 0 297.398 3.972 50 0 CHAARO Cc1ccsc1C[N@@H+](C)Cc1ccc2cccc(O)c2n1 ZINC000067847430 567900659 /nfs/dbraw/zinc/90/06/59/567900659.db2.gz UZXLJVZVJIZCQJ-UHFFFAOYSA-N 1 0 298.411 3.942 50 0 CHAARO C[NH2+]Cc1cc(-c2ccc(C)c3ncccc23)ccc1OC ZINC000067921264 567900923 /nfs/dbraw/zinc/90/09/23/567900923.db2.gz HBEMLELEKCXEGL-UHFFFAOYSA-N 1 0 292.382 3.938 50 0 CHAARO c1nc2ccc(-c3cccc4c3CC[NH2+]C4)cc2s1 ZINC000071753449 567901953 /nfs/dbraw/zinc/90/19/53/567901953.db2.gz KPKLHMZRGMLMEA-UHFFFAOYSA-N 1 0 266.369 3.609 50 0 CHAARO Fc1cccc(CN2CCC[N@H+](CC3CCCC3)CC2)c1 ZINC000072447944 567902467 /nfs/dbraw/zinc/90/24/67/567902467.db2.gz CVWPOJTUSFLYOG-UHFFFAOYSA-N 1 0 290.426 3.524 50 0 CHAARO Cc1ccc(C[N@@H+](C)Cc2cccc3cnccc32)o1 ZINC000072433401 567902617 /nfs/dbraw/zinc/90/26/17/567902617.db2.gz OISIPLFKCYRBLI-UHFFFAOYSA-N 1 0 266.344 3.768 50 0 CHAARO Nc1ncccc1C[N@@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000072421084 567902703 /nfs/dbraw/zinc/90/27/03/567902703.db2.gz RACUHAQVMDKPSM-MRXNPFEDSA-N 1 0 285.366 3.530 50 0 CHAARO C[NH+](C)CC[C@H]1CCCCN1Cc1ccc2occc2c1 ZINC000072468060 567903079 /nfs/dbraw/zinc/90/30/79/567903079.db2.gz ZDHVMIIHLSWWLH-QGZVFWFLSA-N 1 0 286.419 3.739 50 0 CHAARO CO[C@H](C)c1cccc(N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000097045957 567903720 /nfs/dbraw/zinc/90/37/20/567903720.db2.gz DPSWZMCJXIQDMK-ZIAGYGMSSA-N 1 0 276.424 3.536 50 0 CHAARO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000000051678 567905777 /nfs/dbraw/zinc/90/57/77/567905777.db2.gz PELDFWBVLFWHIS-HNNXBMFYSA-N 1 0 294.826 3.933 50 0 CHAARO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H]2CCCO[C@H]21 ZINC000230153496 567910430 /nfs/dbraw/zinc/91/04/30/567910430.db2.gz OFROQGZJFGOMIK-CGTJXYLNSA-N 1 0 298.430 3.504 50 0 CHAARO Cc1cc(-c2ccc(C[NH+]3CCCCC3)cn2)ccc1O ZINC000097347129 567910527 /nfs/dbraw/zinc/91/05/27/567910527.db2.gz CMTPMZMMTFQOSK-UHFFFAOYSA-N 1 0 282.387 3.749 50 0 CHAARO C[N@H+](Cc1ccncc1)C[C@@]1(c2ccccc2)CC1(C)C ZINC000097679873 567910944 /nfs/dbraw/zinc/91/09/44/567910944.db2.gz IMXZNFFBZJNWLL-LJQANCHMSA-N 1 0 280.415 3.881 50 0 CHAARO FC(F)(F)c1cccc([C@H]([NH2+]C[C@@H]2CCOC2)C2CC2)c1 ZINC000408513770 567927550 /nfs/dbraw/zinc/92/75/50/567927550.db2.gz CCMDVFWPCJJSLL-XHDPSFHLSA-N 1 0 299.336 3.783 50 0 CHAARO CCc1nocc1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000408523728 567927709 /nfs/dbraw/zinc/92/77/09/567927709.db2.gz MSQRNJFPVMFQTM-QGZVFWFLSA-N 1 0 288.391 3.733 50 0 CHAARO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000134912093 567929402 /nfs/dbraw/zinc/92/94/02/567929402.db2.gz YGYKRTPNDDCTIZ-UWVGGRQHSA-N 1 0 291.361 3.938 50 0 CHAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000000177652 567935307 /nfs/dbraw/zinc/93/53/07/567935307.db2.gz RYCCFHYTRHTQGU-GOSISDBHSA-N 1 0 279.383 3.749 50 0 CHAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000004133233 567938187 /nfs/dbraw/zinc/93/81/87/567938187.db2.gz CRUFBTYGTDNZMU-IXDOHACOSA-N 1 0 259.393 3.611 50 0 CHAARO C[C@@H]1CCC[N@@H+]1[C@H]1CCc2cc(Br)ccc2C1 ZINC000168022730 567939175 /nfs/dbraw/zinc/93/91/75/567939175.db2.gz LTNYAOGNSQCGDM-ABAIWWIYSA-N 1 0 294.236 3.791 50 0 CHAARO CCOP(=O)(OCC)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000025501053 567939595 /nfs/dbraw/zinc/93/95/95/567939595.db2.gz CLTNPSYRMWSMNP-NSHDSACASA-N 1 0 277.688 3.563 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000103447860 567942782 /nfs/dbraw/zinc/94/27/82/567942782.db2.gz DZOKHJLSFKOOIC-GDZNZVCISA-N 1 0 274.408 3.559 50 0 CHAARO C[C@H](C[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019849849 567944827 /nfs/dbraw/zinc/94/48/27/567944827.db2.gz RIIITVMIXRZTNP-GOSISDBHSA-N 1 0 294.442 3.608 50 0 CHAARO OC1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000019919026 567945039 /nfs/dbraw/zinc/94/50/39/567945039.db2.gz UCFHNRASWJXBGB-UHFFFAOYSA-N 1 0 281.399 3.669 50 0 CHAARO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000214995488 567947110 /nfs/dbraw/zinc/94/71/10/567947110.db2.gz MQWKRASGGZCVSL-AWEZNQCLSA-N 1 0 273.401 3.636 50 0 CHAARO CSCCC[N@H+](C)[C@@H](C)c1nc(C)sc1C ZINC000215542569 567947223 /nfs/dbraw/zinc/94/72/23/567947223.db2.gz WJQLSVRBOKTMDD-VIFPVBQESA-N 1 0 258.456 3.506 50 0 CHAARO c1cc2c(cccc2CN2CCCC[C@H]2C[NH+]2CCCC2)[nH]1 ZINC000216366030 567947592 /nfs/dbraw/zinc/94/75/92/567947592.db2.gz ZTYWWDPSHUICPR-KRWDZBQOSA-N 1 0 297.446 3.618 50 0 CHAARO c1cc(C[N@@H+]2CCCC[C@H]2c2ccccn2)cs1 ZINC000216205791 567947659 /nfs/dbraw/zinc/94/76/59/567947659.db2.gz NLXAEOONDFVCAQ-HNNXBMFYSA-N 1 0 258.390 3.870 50 0 CHAARO CC[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCCO1 ZINC000216331294 567947743 /nfs/dbraw/zinc/94/77/43/567947743.db2.gz XVDPBHYJDVAIOC-HNNXBMFYSA-N 1 0 299.361 3.679 50 0 CHAARO CN(Cc1nc(C(C)(C)C)no1)Cc1ccc(Cl)cc1 ZINC000032755412 567948730 /nfs/dbraw/zinc/94/87/30/567948730.db2.gz BUGKYKRECFNYEW-UHFFFAOYSA-N 1 0 293.798 3.653 50 0 CHAARO COCCC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225391957 567953268 /nfs/dbraw/zinc/95/32/68/567953268.db2.gz IDIBDFSYRYIABP-UHFFFAOYSA-N 1 0 277.339 3.520 50 0 CHAARO CC(C)(C)OC(=O)CCC[N@@H+]1CCCC(C)(C)CC1 ZINC000225519335 567954050 /nfs/dbraw/zinc/95/40/50/567954050.db2.gz HKBPGCBQAJCVBK-UHFFFAOYSA-N 1 0 269.429 3.620 50 0 CHAARO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC000225621878 567954347 /nfs/dbraw/zinc/95/43/47/567954347.db2.gz OTSZKCCKRPYESI-BLLLJJGKSA-N 1 0 290.432 3.626 50 0 CHAARO CCc1ccccc1NC(=O)C[N@H+](C)C[C@H](C)CC(C)C ZINC000225626106 567954472 /nfs/dbraw/zinc/95/44/72/567954472.db2.gz DHUUFUYVSXATHV-OAHLLOKOSA-N 1 0 290.451 3.802 50 0 CHAARO CC(C)[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000012386640 567955103 /nfs/dbraw/zinc/95/51/03/567955103.db2.gz BHENPMXDWXVPJS-MRXNPFEDSA-N 1 0 283.419 3.884 50 0 CHAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2ccccc2c1 ZINC000030908717 567955561 /nfs/dbraw/zinc/95/55/61/567955561.db2.gz YJGZLJSRMKPPTC-GOSISDBHSA-N 1 0 291.398 3.741 50 0 CHAARO CSC(=[NH2+])NC(c1ccccc1)c1ccccc1 ZINC000016970166 570225497 /nfs/dbraw/zinc/22/54/97/570225497.db2.gz ZYDJYANHPBDRBI-UHFFFAOYSA-N 1 0 256.374 3.663 50 0 CHAARO Cc1ccc(C[NH2+]Cc2ccccc2Cl)s1 ZINC000055027707 570240670 /nfs/dbraw/zinc/24/06/70/570240670.db2.gz FOJNBGPYVHWAES-UHFFFAOYSA-N 1 0 251.782 4.000 50 0 CHAARO CCCC[N@H+](Cc1ccco1)Cc1cnn(CCC)c1C ZINC000055197964 570241625 /nfs/dbraw/zinc/24/16/25/570241625.db2.gz KVFVSOSXDIMTAN-UHFFFAOYSA-N 1 0 289.423 3.997 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055307933 570242518 /nfs/dbraw/zinc/24/25/18/570242518.db2.gz NZDKTQXHLOSPPK-SFKKXYGYSA-N 1 0 284.403 3.949 50 0 CHAARO CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000252477824 570270268 /nfs/dbraw/zinc/27/02/68/570270268.db2.gz VXVCAWZWHQOQIN-YGTYGHESSA-N 1 0 285.497 3.625 50 0 CHAARO CC[N@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000013943844 570285240 /nfs/dbraw/zinc/28/52/40/570285240.db2.gz OTAQEZHABFFRMA-UHFFFAOYSA-N 1 0 255.361 3.717 50 0 CHAARO C[N@H+](Cc1ccc([C@@H]2CCCO2)s1)C1CCSCC1 ZINC000215846980 570304152 /nfs/dbraw/zinc/30/41/52/570304152.db2.gz STQCKRVYCAXNHJ-AWEZNQCLSA-N 1 0 297.489 3.927 50 0 CHAARO CCc1[nH+]c2c(c(C)c(C)n2Cc2cccnc2)c(N)c1C ZINC000012324678 570307953 /nfs/dbraw/zinc/30/79/53/570307953.db2.gz CGAWNZQQLPOZBK-UHFFFAOYSA-N 1 0 294.402 3.549 50 0 CHAARO OC1CC[NH+](Cc2ccc(C3CCCCC3)s2)CC1 ZINC000219151866 570309481 /nfs/dbraw/zinc/30/94/81/570309481.db2.gz HLCOKMRIMQUMSU-UHFFFAOYSA-N 1 0 279.449 3.753 50 0 CHAARO CS[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000685939691 570318243 /nfs/dbraw/zinc/31/82/43/570318243.db2.gz WSOISFYZZFTNCM-CYZMBNFOSA-N 1 0 282.478 3.703 50 0 CHAARO c1coc(CCC[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000244724149 570320964 /nfs/dbraw/zinc/32/09/64/570320964.db2.gz MONSBNJJHNJFMY-ZDUSSCGKSA-N 1 0 262.378 3.506 50 0 CHAARO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000075568143 570356076 /nfs/dbraw/zinc/35/60/76/570356076.db2.gz VRBLMNFODMQROW-FXAWDEMLSA-N 1 0 294.442 3.654 50 0 CHAARO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000170616767 570363192 /nfs/dbraw/zinc/36/31/92/570363192.db2.gz PZTJABGYETUPEC-ZMSDIMECSA-N 1 0 288.435 3.799 50 0 CHAARO CC[C@@H](C)[NH2+]CCOCCSc1ccc(Cl)cc1 ZINC000002822061 570371462 /nfs/dbraw/zinc/37/14/62/570371462.db2.gz KCNTUDCFSRPKPU-GFCCVEGCSA-N 1 0 287.856 3.837 50 0 CHAARO CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000253396528 570384997 /nfs/dbraw/zinc/38/49/97/570384997.db2.gz YLMHAMAONCKVHM-DYWWHBPLSA-N 1 0 297.508 3.625 50 0 CHAARO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCc1ccc(C)cc1 ZINC000253430922 570385557 /nfs/dbraw/zinc/38/55/57/570385557.db2.gz YLIJJKMXTWJCNY-GOSISDBHSA-N 1 0 297.446 3.981 50 0 CHAARO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000225457031 570394193 /nfs/dbraw/zinc/39/41/93/570394193.db2.gz SWLLSKHFALACSE-GFCCVEGCSA-N 1 0 295.386 3.999 50 0 CHAARO COc1ccccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000002734466 570398343 /nfs/dbraw/zinc/39/83/43/570398343.db2.gz NKUSQXVRDAGVMH-QGZVFWFLSA-N 1 0 267.372 3.862 50 0 CHAARO CC(C)c1nccn1CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000952972925 614327723 /nfs/dbraw/zinc/32/77/23/614327723.db2.gz HJHNNVSYXQNSMA-UHFFFAOYSA-N 1 0 296.418 3.668 50 0 CHAARO CCCCc1ncc(C[NH2+]CC2(C)CCCCC2)[nH]1 ZINC000952973871 614491124 /nfs/dbraw/zinc/49/11/24/614491124.db2.gz KEBCPKUNNDMHPU-UHFFFAOYSA-N 1 0 263.429 3.812 50 0 CHAARO CC[C@H]1C=CC[N@@H+]1Cc1cc2cc(C)ccc2n1C ZINC000952986176 615877131 /nfs/dbraw/zinc/87/71/31/615877131.db2.gz JZAWSERMZZFFIL-HNNXBMFYSA-N 1 0 254.377 3.637 50 0 CHAARO C[C@@H](NCc1cc[nH]n1)c1cc(Cl)cc(Cl)c1F ZINC000692315130 1118595930 /nfs/dbraw/zinc/59/59/30/1118595930.db2.gz RLLZTGWRUNLSLW-SSDOTTSWSA-N 1 0 288.153 3.706 50 0 CHAARO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cc(C)no2)c1 ZINC000215772296 1125578529 /nfs/dbraw/zinc/57/85/29/1125578529.db2.gz XWQKKFBMQIPLMB-KRWDZBQOSA-N 1 0 286.375 3.719 50 0 CHAARO C[NH2+]C(Cc1ccc(C)cc1)Cc1ccc(C)cc1 ZINC000051752862 1125649059 /nfs/dbraw/zinc/64/90/59/1125649059.db2.gz CMZUMFMOBWFXQM-UHFFFAOYSA-N 1 0 253.389 3.677 50 0 CHAARO Cc1ccc(Sc2ccc(N3CC[NH2+]CC3)cc2)c(C)c1 ZINC000675050900 1127412356 /nfs/dbraw/zinc/41/23/56/1127412356.db2.gz ZWSWQSDJGJPXHD-UHFFFAOYSA-N 1 0 298.455 3.864 50 0 CHAARO C[C@@H](c1ccccc1)N(C)Cc1nc(-c2ccoc2)no1 ZINC000170938790 1127666892 /nfs/dbraw/zinc/66/68/92/1127666892.db2.gz STQNFTWFPLTBAJ-LBPRGKRZSA-N 1 0 283.331 3.523 50 0 CHAARO Cc1cscc1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000225452080 1128164268 /nfs/dbraw/zinc/16/42/68/1128164268.db2.gz NTCAPZHRYKJTLI-MRXNPFEDSA-N 1 0 273.401 3.929 50 0 CHAARO Cc1ccccc1C[C@H]([NH2+]CC1=CCCOC1)c1ccco1 ZINC000863983303 1128718759 /nfs/dbraw/zinc/71/87/59/1128718759.db2.gz FNZGWDKCLASMFV-SFHVURJKSA-N 1 0 297.398 3.808 50 0 CHAARO c1cn(CCC[N@H+](CCc2ccccc2)C2CCCC2)cn1 ZINC000182725393 1118028028 /nfs/dbraw/zinc/02/80/28/1118028028.db2.gz XYLQQQOVBSFYMO-UHFFFAOYSA-N 1 0 297.446 3.761 50 0 CHAARO C[C@@H](CCc1ccco1)[NH2+]Cc1nc2ccccc2o1 ZINC000679445336 1118076543 /nfs/dbraw/zinc/07/65/43/1118076543.db2.gz YFWXGEGHRXYEFN-LBPRGKRZSA-N 1 0 270.332 3.532 50 0 CHAARO CCCC[NH2+]CCCCCOc1ccccc1F ZINC000002901477 1119156220 /nfs/dbraw/zinc/15/62/20/1119156220.db2.gz BGFHXXHHYBJIDO-UHFFFAOYSA-N 1 0 253.361 3.765 50 0 CHAARO Cc1cccc(C[N@H+](CCc2ccncc2)C2CC2)c1 ZINC000069322250 1121175899 /nfs/dbraw/zinc/17/58/99/1121175899.db2.gz VDFSOOCDNLAIBA-UHFFFAOYSA-N 1 0 266.388 3.597 50 0 CHAARO Cc1cc(NC[C@@]2(C)CCCO2)c2ccccc2[nH+]1 ZINC000094804720 1121230137 /nfs/dbraw/zinc/23/01/37/1121230137.db2.gz UWKKCMTUHWUQBU-MRXNPFEDSA-N 1 0 256.349 3.524 50 0 CHAARO COc1ccccc1C1CC[NH+](CCc2ccccn2)CC1 ZINC000244673998 1121469602 /nfs/dbraw/zinc/46/96/02/1121469602.db2.gz HZNVLFULULLVBD-UHFFFAOYSA-N 1 0 296.414 3.512 50 0 CHAARO Cc1ccc(N2CCC([NH2+]C[C@@H](C)CC(C)C)CC2)nc1 ZINC000585084348 1121496698 /nfs/dbraw/zinc/49/66/98/1121496698.db2.gz IMMUVDRKDZKVBX-INIZCTEOSA-N 1 0 289.467 3.631 50 0 CHAARO CC[N@H+](Cc1ccc(OC(C)C)c(CO)c1)C1CCCC1 ZINC000823070906 1121985751 /nfs/dbraw/zinc/98/57/51/1121985751.db2.gz BJPBLTWSXKBWBV-UHFFFAOYSA-N 1 0 291.435 3.731 50 0 CHAARO CCSc1ccccc1NC(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000823426701 1122002089 /nfs/dbraw/zinc/00/20/89/1122002089.db2.gz AXYAJUODZIZAHN-ZDUSSCGKSA-N 1 0 292.448 3.612 50 0 CHAARO CCOc1ccnc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426627597 1122835234 /nfs/dbraw/zinc/83/52/34/1122835234.db2.gz AMAASXTUCYQIHF-AWEZNQCLSA-N 1 0 297.402 3.699 50 0 CHAARO Cc1ccc(-c2nc3cc(C)ccn3c2C[NH+](C)C)cc1 ZINC000031933032 1122881898 /nfs/dbraw/zinc/88/18/98/1122881898.db2.gz HEUTZEFQOHBXKK-UHFFFAOYSA-N 1 0 279.387 3.680 50 0 CHAARO CC1(C)Cc2cccc(CNc3ccncc3F)c2O1 ZINC000192150325 1131328564 /nfs/dbraw/zinc/32/85/64/1131328564.db2.gz DDIUOKOMNKDPPL-UHFFFAOYSA-N 1 0 272.323 3.546 50 0 CHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](COC)C2)cc1Cl ZINC000215034225 1125425996 /nfs/dbraw/zinc/42/59/96/1125425996.db2.gz WHDFEKRYJMVYRP-CQSZACIVSA-N 1 0 297.826 3.597 50 0 CHAARO C[C@@H]1CCCN(c2cc[nH+]c(CN3CCC[C@H](C)C3)c2)C1 ZINC000222021065 1125433438 /nfs/dbraw/zinc/43/34/38/1125433438.db2.gz ZTKMJXOZSKARBH-JKSUJKDBSA-N 1 0 287.451 3.550 50 0 CHAARO Cc1ccc2nc(NC[C@H]3CC[N@@H+](C4CC4)C3)cc(C)c2c1 ZINC000825206803 1129314583 /nfs/dbraw/zinc/31/45/83/1129314583.db2.gz OTLJRMDAUSEHDM-OAHLLOKOSA-N 1 0 295.430 3.748 50 0 CHAARO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c2ccccc21 ZINC000065421396 1129617948 /nfs/dbraw/zinc/61/79/48/1129617948.db2.gz GWZMSTKWOOJNKY-LJQANCHMSA-N 1 0 291.398 3.910 50 0 CHAARO Cc1cnccc1CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417309645 1129628042 /nfs/dbraw/zinc/62/80/42/1129628042.db2.gz JSDCBKKVKOYQEJ-CWRNSKLLSA-N 1 0 286.444 3.776 50 0 CHAARO Cc1nc[nH]c1C[NH2+]CCCc1ccc(C(C)C)cc1 ZINC000952971697 1132016610 /nfs/dbraw/zinc/01/66/10/1132016610.db2.gz LABFCGRARDZDNP-UHFFFAOYSA-N 1 0 271.408 3.564 50 0 CHAARO Cc1c2cc(C)ccc2oc1C[NH2+]Cc1cccc(CO)c1 ZINC000952966590 1132016854 /nfs/dbraw/zinc/01/68/54/1132016854.db2.gz IFBUUYIBPNTRBB-UHFFFAOYSA-N 1 0 295.382 3.832 50 0 CHAARO Fc1ccc2cc(C[NH+]3CCc4ccccc4CC3)[nH]c2c1 ZINC000952879809 1132017519 /nfs/dbraw/zinc/01/75/19/1132017519.db2.gz LIDFJOLIOGKMMW-UHFFFAOYSA-N 1 0 294.373 3.908 50 0 CHAARO CC(C)(C)C[C@H]([NH2+]Cc1ccoc1)c1cccnc1 ZINC000952986673 1132019782 /nfs/dbraw/zinc/01/97/82/1132019782.db2.gz AIRLZCFXMPNHBW-HNNXBMFYSA-N 1 0 258.365 3.942 50 0 CHAARO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc2ccccc2o1 ZINC000097017285 230386414 /nfs/dbraw/zinc/38/64/14/230386414.db2.gz PAGPGXUBBRAEQD-UVIMBBFXSA-N 1 0 293.366 3.742 50 0 CHAARO c1cc(C2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000186925932 230395846 /nfs/dbraw/zinc/39/58/46/230395846.db2.gz GBNYPXWIQXWNEK-UHFFFAOYSA-N 1 0 258.390 3.523 50 0 CHAARO COc1cncc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)c1 ZINC000426606795 230424344 /nfs/dbraw/zinc/42/43/44/230424344.db2.gz SZQYEQIJWIPQAU-AWEZNQCLSA-N 1 0 282.387 3.914 50 0 CHAARO CC[N@@H+]1CC=C(c2ccccc2)[C@@H](C(=O)OC2CCCC2)C1 ZINC000095918273 185030535 /nfs/dbraw/zinc/03/05/35/185030535.db2.gz AGFUTASWCUDNBN-SFHVURJKSA-N 1 0 299.414 3.508 50 0 CHAARO CSc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1F ZINC000095967084 185046378 /nfs/dbraw/zinc/04/63/78/185046378.db2.gz YVCQDNKZKHDUTQ-LLVKDONJSA-N 1 0 276.380 3.793 50 0 CHAARO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000095969332 185047700 /nfs/dbraw/zinc/04/77/00/185047700.db2.gz AHRAFDULWVDUBJ-DZKIICNBSA-N 1 0 263.425 3.565 50 0 CHAARO CC(C)[C@@H]1C[C@H](C[N@H+](C)Cc2ccccc2)CCO1 ZINC000095995473 185060183 /nfs/dbraw/zinc/06/01/83/185060183.db2.gz PNOBLPFZYWHWHJ-SJORKVTESA-N 1 0 261.409 3.570 50 0 CHAARO CCc1nc(CNc2cc(C[NH+](C)C)ccc2C)cs1 ZINC000096482925 529740826 /nfs/dbraw/zinc/74/08/26/529740826.db2.gz XCOCOVYATPJWAG-UHFFFAOYSA-N 1 0 289.448 3.688 50 0 CHAARO Cc1cc(C[NH2+]CC(C)C)ccc1Br ZINC000085706620 179121263 /nfs/dbraw/zinc/12/12/63/179121263.db2.gz YEDSMGOSTKQJEJ-UHFFFAOYSA-N 1 0 256.187 3.503 50 0 CHAARO Cc1cc(C[NH+](C)C)cc(NC(=O)CCC2CCCC2)c1 ZINC000089585353 179825401 /nfs/dbraw/zinc/82/54/01/179825401.db2.gz YEMBHARUAXDOAB-UHFFFAOYSA-N 1 0 288.435 3.966 50 0 CHAARO Fc1cccc(CN2CCC[C@H]([NH2+]Cc3ccccc3)C2)c1 ZINC000089836539 179872340 /nfs/dbraw/zinc/87/23/40/179872340.db2.gz UFIWXOGYHJVQIE-IBGZPJMESA-N 1 0 298.405 3.580 50 0 CHAARO COc1ccnc(C[N@@H+]2CCC[C@H]2c2ccccc2C)c1 ZINC000106933637 186152221 /nfs/dbraw/zinc/15/22/21/186152221.db2.gz LCHBMZMJMNPJHM-SFHVURJKSA-N 1 0 282.387 3.736 50 0 CHAARO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000110641662 186308566 /nfs/dbraw/zinc/30/85/66/186308566.db2.gz NMNCZIMFJFKNIZ-NWDGAFQWSA-N 1 0 282.453 3.688 50 0 CHAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(N)=[NH2+] ZINC000255188362 189996073 /nfs/dbraw/zinc/99/60/73/189996073.db2.gz JOEOVNGOJVCYIV-UHFFFAOYSA-N 1 0 268.238 3.558 50 0 CHAARO Cc1[nH+]c2cc(NCc3ccc(C)cc3)ccc2n1C ZINC000000170069 169562325 /nfs/dbraw/zinc/56/23/25/169562325.db2.gz VHDCWVMGXYYPLY-UHFFFAOYSA-N 1 0 265.360 3.802 50 0 CHAARO COc1cccc(C[NH2+]C2CCCCCCC2)c1OC ZINC000000279635 169595754 /nfs/dbraw/zinc/59/57/54/169595754.db2.gz XENNLTXIAAUKTA-UHFFFAOYSA-N 1 0 277.408 3.906 50 0 CHAARO Fc1ccc(-[n+]2c(-c3ccccc3)cn3c2SCC3)cc1 ZINC000000407333 169632798 /nfs/dbraw/zinc/63/27/98/169632798.db2.gz YVBLRUSUJXKESE-UHFFFAOYSA-N 1 0 297.378 3.677 50 0 CHAARO c1c(-c2ccccc2)[n+](-c2ccccc2)c2n1CCCS2 ZINC000000407313 169632864 /nfs/dbraw/zinc/63/28/64/169632864.db2.gz SZIHJVPGSBVDKT-UHFFFAOYSA-N 1 0 293.415 3.928 50 0 CHAARO CC[C@]1(C[NH2+]Cc2ccccc2)OCCc2ccccc21 ZINC000521394251 256854947 /nfs/dbraw/zinc/85/49/47/256854947.db2.gz ZDTMCLQRGBNEFQ-LJQANCHMSA-N 1 0 281.399 3.654 50 0 CHAARO Cc1[nH+]c2cc(NCc3c[nH]c4ccccc34)ccc2n1C ZINC000000845789 169680850 /nfs/dbraw/zinc/68/08/50/169680850.db2.gz IQZOARULUSVAHQ-UHFFFAOYSA-N 1 0 290.370 3.975 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1OC ZINC000002498403 169795794 /nfs/dbraw/zinc/79/57/94/169795794.db2.gz DBBKYSFKMHTXAC-DZKIICNBSA-N 1 0 291.435 3.803 50 0 CHAARO C[NH+](C)CCCOc1ccccc1-c1ccccc1 ZINC000002825098 169835383 /nfs/dbraw/zinc/83/53/83/169835383.db2.gz RTXWMOWAQZKQNT-UHFFFAOYSA-N 1 0 255.361 3.684 50 0 CHAARO C[C@H]([NH2+]Cc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000004168182 169940922 /nfs/dbraw/zinc/94/09/22/169940922.db2.gz KJVLVVDSJRPNIS-FCCIYARUSA-N 1 0 270.420 3.776 50 0 CHAARO Cc1ccc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000004744727 170010699 /nfs/dbraw/zinc/01/06/99/170010699.db2.gz PZFJVVRWNVRPQM-ZIAGYGMSSA-N 1 0 288.435 3.610 50 0 CHAARO CC[NH+](CC)C/C=C/c1c(F)c(F)c(OC)c(F)c1F ZINC000004858349 170031426 /nfs/dbraw/zinc/03/14/26/170031426.db2.gz GXZHTDWHASSMQW-VOTSOKGWSA-N 1 0 291.288 3.607 50 0 CHAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCC(C)CC1 ZINC000004871832 170034713 /nfs/dbraw/zinc/03/47/13/170034713.db2.gz VHFDUFNJRZUVFJ-UHFFFAOYSA-N 1 0 284.403 3.699 50 0 CHAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000004871835 170034871 /nfs/dbraw/zinc/03/48/71/170034871.db2.gz BPKDNISJDFGUFK-CYBMUJFWSA-N 1 0 284.403 3.699 50 0 CHAARO Cc1ccc(OCC[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000004978646 170048005 /nfs/dbraw/zinc/04/80/05/170048005.db2.gz ZTFQZCJTHGNKGN-UHFFFAOYSA-N 1 0 261.409 3.947 50 0 CHAARO C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1ccccc1 ZINC000004989407 170049797 /nfs/dbraw/zinc/04/97/97/170049797.db2.gz WEAKRFXMTSDHLY-OAHLLOKOSA-N 1 0 269.388 3.546 50 0 CHAARO c1ccc2c(c1)cccc2OCC[NH+]1CCCCC1 ZINC000004989725 170049891 /nfs/dbraw/zinc/04/98/91/170049891.db2.gz NXWKJSRHEYFCMV-UHFFFAOYSA-N 1 0 255.361 3.705 50 0 CHAARO Cc1cc(Cl)cc(C)c1OCC[NH+]1CCCCC1 ZINC000005005194 170053940 /nfs/dbraw/zinc/05/39/40/170053940.db2.gz FCBDVUHWAAMJFJ-UHFFFAOYSA-N 1 0 267.800 3.822 50 0 CHAARO Cc1ccc2c(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc(=O)oc2c1C ZINC000005252578 170080098 /nfs/dbraw/zinc/08/00/98/170080098.db2.gz VGENLWPZZMPKNW-STQMWFEESA-N 1 0 299.414 3.888 50 0 biogenic CHAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCCC[C@@H]1C ZINC000005557346 170112910 /nfs/dbraw/zinc/11/29/10/170112910.db2.gz LBVSFXUUSXMYMA-STQMWFEESA-N 1 0 270.376 3.614 50 0 CHAARO [NH3+]Cc1ccccc1-c1cccc(C(F)(F)F)c1 ZINC000005764200 170138573 /nfs/dbraw/zinc/13/85/73/170138573.db2.gz HELJHEYXZQTZDX-UHFFFAOYSA-N 1 0 251.251 3.831 50 0 CHAARO C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000005910028 170153583 /nfs/dbraw/zinc/15/35/83/170153583.db2.gz FPMCYUPTMHEODI-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO C[NH+](C)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000006637759 170220729 /nfs/dbraw/zinc/22/07/29/170220729.db2.gz JDTJFIZEKRMCEF-UHFFFAOYSA-N 1 0 273.763 3.633 50 0 CHAARO [NH3+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1 ZINC000006645705 170221978 /nfs/dbraw/zinc/22/19/78/170221978.db2.gz VCXAETGEVHDYMF-CQSZACIVSA-N 1 0 270.763 3.912 50 0 CHAARO CCOc1cc(C[NH2+]C)ccc1OCc1ccc(C)cc1 ZINC000006743056 170238552 /nfs/dbraw/zinc/23/85/52/170238552.db2.gz IEMLJIPESNTWMP-UHFFFAOYSA-N 1 0 285.387 3.692 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000007446724 170285370 /nfs/dbraw/zinc/28/53/70/170285370.db2.gz CZTIWPIDOUMGCS-AWEZNQCLSA-N 1 0 284.403 3.779 50 0 CHAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007538904 170290387 /nfs/dbraw/zinc/29/03/87/170290387.db2.gz DSURYYZMBWFIQW-GFCCVEGCSA-N 1 0 293.794 3.769 50 0 CHAARO C[N@H+](CC(=O)Nc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000008126540 170320064 /nfs/dbraw/zinc/32/00/64/170320064.db2.gz GKVXONUENRJLRG-SFHVURJKSA-N 1 0 294.398 3.635 50 0 CHAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1cccc(F)c1 ZINC000008553295 170339900 /nfs/dbraw/zinc/33/99/00/170339900.db2.gz UBNHRPVZGCZIMM-MJBXVCDLSA-N 1 0 293.382 3.634 50 0 CHAARO COc1ccccc1/C=C/C[N@H+](C)CCc1ccccc1 ZINC000008675638 170345148 /nfs/dbraw/zinc/34/51/48/170345148.db2.gz GFAKSDPNSJXBHK-XYOKQWHBSA-N 1 0 281.399 3.883 50 0 CHAARO Cc1[nH]c2ccc(F)cc2c(=O)c1C[NH+]1CCC(C)CC1 ZINC000008717119 170349210 /nfs/dbraw/zinc/34/92/10/170349210.db2.gz QYXOHLJFRXUBPV-UHFFFAOYSA-N 1 0 288.366 3.620 50 0 CHAARO c1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000008739706 170353587 /nfs/dbraw/zinc/35/35/87/170353587.db2.gz JZGHBBVINUYCBY-GOSISDBHSA-N 1 0 282.387 3.688 50 0 biogenic CHAARO Cc1c([C@@H](C)[NH2+]C2CCCC2)cnn1-c1cccc(F)c1 ZINC000012303388 170475123 /nfs/dbraw/zinc/47/51/23/170475123.db2.gz QBJWULMNAQZJBN-GFCCVEGCSA-N 1 0 287.382 3.913 50 0 CHAARO CC(C)[NH2+][C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000012386641 170483512 /nfs/dbraw/zinc/48/35/12/170483512.db2.gz BHENPMXDWXVPJS-INIZCTEOSA-N 1 0 283.419 3.884 50 0 CHAARO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000014948485 170649570 /nfs/dbraw/zinc/64/95/70/170649570.db2.gz PDAGBMTYJUVFNL-QGZVFWFLSA-N 1 0 298.361 3.525 50 0 CHAARO Cc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3)cc1 ZINC000015952643 170683780 /nfs/dbraw/zinc/68/37/80/170683780.db2.gz ZBGCUUJXOWNEJS-UHFFFAOYSA-N 1 0 293.415 3.846 50 0 CHAARO C[C@@H]1CC[C@@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000019608936 170830692 /nfs/dbraw/zinc/83/06/92/170830692.db2.gz JZMSNXHBFBQKRJ-HNTCUJBNSA-N 1 0 284.447 3.506 50 0 CHAARO CC[NH2+]Cc1cccc(-c2cccc(-c3cc[nH]n3)c2)c1 ZINC000020560880 171251848 /nfs/dbraw/zinc/25/18/48/171251848.db2.gz MHJRBGXEJALHCM-UHFFFAOYSA-N 1 0 277.371 3.853 50 0 CHAARO C[C@H]1[NH2+]Cc2c3c(sc2-n2cccc21)CCCC3 ZINC000020865009 171276964 /nfs/dbraw/zinc/27/69/64/171276964.db2.gz RNXJMUHDATVILC-SNVBAGLBSA-N 1 0 258.390 3.582 50 0 CHAARO CCC[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000037184376 173016732 /nfs/dbraw/zinc/01/67/32/173016732.db2.gz JDVMATJPAXIXLQ-GFCCVEGCSA-N 1 0 256.187 3.900 50 0 CHAARO COc1ccc(C[NH2+]CC2CCCCC2)cc1OC(F)F ZINC000037247846 173060398 /nfs/dbraw/zinc/06/03/98/173060398.db2.gz LBPGAUVCDXEDLF-UHFFFAOYSA-N 1 0 299.361 3.967 50 0 CHAARO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(F)c(F)c1 ZINC000037277480 173088076 /nfs/dbraw/zinc/08/80/76/173088076.db2.gz HGQKHRNDBWIRQR-NSHDSACASA-N 1 0 293.361 3.767 50 0 CHAARO [NH3+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000037463452 173225369 /nfs/dbraw/zinc/22/53/69/173225369.db2.gz NRHDLICZUZLWMI-UHFFFAOYSA-N 1 0 268.198 3.653 50 0 CHAARO c1ccc(COc2ccc(CC3CC[NH2+]CC3)cc2)cc1 ZINC000038518573 174143670 /nfs/dbraw/zinc/14/36/70/174143670.db2.gz WWXFRYPJVWDHCM-UHFFFAOYSA-N 1 0 281.399 3.808 50 0 CHAARO CCc1cc(Cl)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770961 174871191 /nfs/dbraw/zinc/87/11/91/174871191.db2.gz CPKDYJOFEGNVCU-AWEZNQCLSA-N 1 0 267.800 3.813 50 0 CHAARO CC[C@@H](C)c1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775052 174873843 /nfs/dbraw/zinc/87/38/43/174873843.db2.gz ANCXXXDTJANCGL-LLVKDONJSA-N 1 0 267.800 3.984 50 0 CHAARO c1ccc2sc(SCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000043499424 175058753 /nfs/dbraw/zinc/05/87/53/175058753.db2.gz SQDKIJHEMJDHNW-NSHDSACASA-N 1 0 278.446 3.921 50 0 CHAARO c1[nH]c2ccccc2c1C[C@@H]1[NH2+]CCC2=C1CCCC2 ZINC000044125796 175144067 /nfs/dbraw/zinc/14/40/67/175144067.db2.gz OLRDBOUBFDLTEI-SFHVURJKSA-N 1 0 266.388 3.943 50 0 CHAARO CC(C)c1ccc(COCCC2CC[NH2+]CC2)cc1 ZINC000048895422 175453152 /nfs/dbraw/zinc/45/31/52/175453152.db2.gz HWPHKXQSEMSDMW-UHFFFAOYSA-N 1 0 261.409 3.716 50 0 CHAARO CC[NH+](CC)CCNc1nc2c(cccc2Cl)s1 ZINC000070697645 176002027 /nfs/dbraw/zinc/00/20/27/176002027.db2.gz PIGNKTWHLBTDBT-UHFFFAOYSA-N 1 0 283.828 3.703 50 0 CHAARO CC(C)(C)OCc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000071854228 176277941 /nfs/dbraw/zinc/27/79/41/176277941.db2.gz ZRUBFZZLQHSGBW-UHFFFAOYSA-N 1 0 273.376 3.885 50 0 CHAARO CC[C@H]1CN(Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C(C)C ZINC000072168070 176331681 /nfs/dbraw/zinc/33/16/81/176331681.db2.gz ZIBFKRMCSCHCRY-INIZCTEOSA-N 1 0 298.833 3.784 50 0 CHAARO c1cc(CN2CCCC[C@H]2CC[NH+]2CCCC2)cs1 ZINC000077299975 177250231 /nfs/dbraw/zinc/25/02/31/177250231.db2.gz KBFAFFMKEDIGLY-INIZCTEOSA-N 1 0 278.465 3.589 50 0 CHAARO Cc1nn(C)c(Cl)c1C[N@H+](CC1CC1)C1CCCCC1 ZINC000078460043 177343213 /nfs/dbraw/zinc/34/32/13/177343213.db2.gz CSLCWZIWJDXDQJ-UHFFFAOYSA-N 1 0 295.858 3.927 50 0 CHAARO Fc1ccccc1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019688756 260114372 /nfs/dbraw/zinc/11/43/72/260114372.db2.gz HICUPXVNZAHKJG-INIZCTEOSA-N 1 0 266.319 3.542 50 0 biogenic CHAARO Cc1c(C[NH2+][C@H]2C[C@H](C)Sc3sccc32)cnn1C ZINC000090888184 260263389 /nfs/dbraw/zinc/26/33/89/260263389.db2.gz GVJLDNOYTKRYPR-ZANVPECISA-N 1 0 293.461 3.505 50 0 CHAARO Cc1ccc(C)c([C@H]([NH2+]C2CCOCC2)c2cccnc2)c1 ZINC000534587715 328316194 /nfs/dbraw/zinc/31/61/94/328316194.db2.gz RCCJBGXLCMHFNA-LJQANCHMSA-N 1 0 296.414 3.556 50 0 CHAARO C[C@H](c1cccc(-c2nccs2)c1)[NH+]1CCCC1 ZINC000534588889 328316836 /nfs/dbraw/zinc/31/68/36/328316836.db2.gz JYPBRSIMJFCMKU-GFCCVEGCSA-N 1 0 258.390 3.967 50 0 CHAARO Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129793682 329528007 /nfs/dbraw/zinc/52/80/07/329528007.db2.gz DFPONRXTYWAOFY-VXGBXAGGSA-N 1 0 290.329 3.545 50 0 CHAARO Cc1cc(N2CCC[C@@H](CC(F)(F)F)C2)cc[nH+]1 ZINC000420618712 329779357 /nfs/dbraw/zinc/77/93/57/329779357.db2.gz DJGXDMVVYSJMAZ-NSHDSACASA-N 1 0 258.287 3.559 50 0 CHAARO Cc1cc(N2CCC[C@H](CC(F)(F)F)C2)cc[nH+]1 ZINC000420618511 329779395 /nfs/dbraw/zinc/77/93/95/329779395.db2.gz DJGXDMVVYSJMAZ-LLVKDONJSA-N 1 0 258.287 3.559 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054993333 330321461 /nfs/dbraw/zinc/32/14/61/330321461.db2.gz LFJHNAJSHNMNBM-INIZCTEOSA-N 1 0 256.349 3.629 50 0 CHAARO COc1cc(C)ccc1OCCCC[NH2+]Cc1ccccc1 ZINC000002824091 333056824 /nfs/dbraw/zinc/05/68/24/333056824.db2.gz SXNLWWSZNPDTEX-UHFFFAOYSA-N 1 0 299.414 3.952 50 0 CHAARO Cc1ccsc1[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC000097017131 534480728 /nfs/dbraw/zinc/48/07/28/534480728.db2.gz ZPJRWUSFBNNPNB-SNVBAGLBSA-N 1 0 266.435 3.981 50 0 CHAARO C[NH2+][C@H](c1ccccc1)[C@@H]1c2cccc3cccc(c23)[C@H]1O ZINC000252427039 522485443 /nfs/dbraw/zinc/48/54/43/522485443.db2.gz SLVDRYPCLUHEDO-XUVXKRRUSA-N 1 0 289.378 3.931 50 0 CHAARO Clc1cccc(N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000055543794 526980271 /nfs/dbraw/zinc/98/02/71/526980271.db2.gz MACNPANYINLJSE-UHFFFAOYSA-N 1 0 292.835 3.724 50 0 CHAARO CC(C)n1ncnc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426370421 528688346 /nfs/dbraw/zinc/68/83/46/528688346.db2.gz IASNHXNQCZDPFY-CQSZACIVSA-N 1 0 284.407 3.683 50 0 CHAARO Clc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000042772691 567891549 /nfs/dbraw/zinc/89/15/49/567891549.db2.gz ROFIFPSVRWLKHU-JTQLQIEISA-N 1 0 274.191 3.762 50 0 CHAARO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000035012325 566843186 /nfs/dbraw/zinc/84/31/86/566843186.db2.gz QYVLNGUSAXIKKK-CQSZACIVSA-N 1 0 285.387 3.863 50 0 CHAARO Cc1ccc2ccccc2c1NC(=O)NC(C)(C)C[NH+](C)C ZINC000299766587 566853734 /nfs/dbraw/zinc/85/37/34/566853734.db2.gz FTPIXJNGYHEEQQ-UHFFFAOYSA-N 1 0 299.418 3.610 50 0 CHAARO c1csc(-c2cc(C[NH+]3CCCCCC3)no2)c1 ZINC000052856791 566859123 /nfs/dbraw/zinc/85/91/23/566859123.db2.gz ARQAZVWWUKKXLE-UHFFFAOYSA-N 1 0 262.378 3.779 50 0 CHAARO FC(F)(F)CC[N@H+](Cc1ccncc1)C1CCCC1 ZINC000084615143 566885817 /nfs/dbraw/zinc/88/58/17/566885817.db2.gz PUHISKTXKUPGLX-UHFFFAOYSA-N 1 0 272.314 3.779 50 0 CHAARO CC(C)OP(=O)(OC(C)C)[C@H]([NH3+])Cc1ccccc1 ZINC000035078609 566893815 /nfs/dbraw/zinc/89/38/15/566893815.db2.gz KDKSZCWXFQVNPD-AWEZNQCLSA-N 1 0 285.324 3.557 50 0 CHAARO [NH3+]C[C@@H](c1c[nH]c2cc(Cl)ccc21)c1ccccc1 ZINC000026512794 566947480 /nfs/dbraw/zinc/94/74/80/566947480.db2.gz SGEWZYJNWUEWFE-CQSZACIVSA-N 1 0 270.763 3.912 50 0 CHAARO CCCC[NH+](CCCC)CC1OCc2ccccc2CO1 ZINC000001741316 566958061 /nfs/dbraw/zinc/95/80/61/566958061.db2.gz CSKUMZNKDOLGDT-UHFFFAOYSA-N 1 0 291.435 3.962 50 0 CHAARO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000026940434 566976274 /nfs/dbraw/zinc/97/62/74/566976274.db2.gz TYQGYRHBGASCJS-UHFFFAOYSA-N 1 0 288.435 3.930 50 0 CHAARO COc1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1 ZINC000004340555 566986358 /nfs/dbraw/zinc/98/63/58/566986358.db2.gz LWTHOCBZFFQOLY-YRNVUSSQSA-N 1 0 276.359 3.843 50 0 CHAARO C[C@H](c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[NH+]1CCCC1 ZINC000426722693 566990284 /nfs/dbraw/zinc/99/02/84/566990284.db2.gz TYYCDPAFLNSTBK-GFCCVEGCSA-N 1 0 282.391 3.506 50 0 CHAARO Cc1nc(C2CC[NH2+]CC2)sc1-c1ccccc1 ZINC000170091419 567006479 /nfs/dbraw/zinc/00/64/79/567006479.db2.gz ZIWCWVFUIRIHHZ-UHFFFAOYSA-N 1 0 258.390 3.586 50 0 CHAARO Cc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccncc2)c(C)c1 ZINC000170600997 567013568 /nfs/dbraw/zinc/01/35/68/567013568.db2.gz CIJJOTBUZKHMPI-INIZCTEOSA-N 1 0 268.404 3.761 50 0 CHAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccsc2)cc1 ZINC000170631619 567016245 /nfs/dbraw/zinc/01/62/45/567016245.db2.gz KIEKXJKDJAZLDS-UHFFFAOYSA-N 1 0 288.416 3.842 50 0 CHAARO CCC[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000013731906 567021148 /nfs/dbraw/zinc/02/11/48/567021148.db2.gz PKWNNBCLNMBZST-UHFFFAOYSA-N 1 0 270.376 3.676 50 0 CHAARO C[C@H](CCc1ccccc1)[NH2+]CCn1cnc2ccccc21 ZINC000089895771 567029801 /nfs/dbraw/zinc/02/98/01/567029801.db2.gz YEEPORFAJAVSCJ-MRXNPFEDSA-N 1 0 293.414 3.647 50 0 CHAARO Cc1ccc([C@H](O)C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000076082199 567030144 /nfs/dbraw/zinc/03/01/44/567030144.db2.gz AEOIERRZSZMVIE-QFBILLFUSA-N 1 0 283.415 3.639 50 0 CHAARO C[C@@H](CCc1ccccc1)[NH2+]CCn1cnc2ccccc21 ZINC000089895769 567030159 /nfs/dbraw/zinc/03/01/59/567030159.db2.gz YEEPORFAJAVSCJ-INIZCTEOSA-N 1 0 293.414 3.647 50 0 CHAARO CC[C@H](c1ccc(Cl)cc1)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000089947811 567030417 /nfs/dbraw/zinc/03/04/17/567030417.db2.gz YAIAQZZXRXUJQH-APHBMKBZSA-N 1 0 280.843 3.673 50 0 CHAARO Cc1cccc([C@H](O)C[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000193027400 567033545 /nfs/dbraw/zinc/03/35/45/567033545.db2.gz URJHURDWQYJVKV-RBUKOAKNSA-N 1 0 296.414 3.565 50 0 CHAARO CC[C@H](C)[NH2+]CCCOc1cccc(Br)c1 ZINC000002825526 567036590 /nfs/dbraw/zinc/03/65/90/567036590.db2.gz KXVDTKBRUMRXIV-NSHDSACASA-N 1 0 286.213 3.606 50 0 CHAARO Clc1ccc([C@@H]2CCN2Cc2cncs2)cc1 ZINC000093686010 567036834 /nfs/dbraw/zinc/03/68/34/567036834.db2.gz UNLZMDQOXGXYQX-ZDUSSCGKSA-N 1 0 264.781 3.744 50 0 CHAARO COc1cc(C)ccc1OCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000002822858 567037426 /nfs/dbraw/zinc/03/74/26/567037426.db2.gz XWYUDWFBWDHLML-INIZCTEOSA-N 1 0 291.435 3.895 50 0 CHAARO CC(C)=CCC[C@H](C)CCN(CCC[NH+](C)C)C(C)=O ZINC000002139107 567055683 /nfs/dbraw/zinc/05/56/83/567055683.db2.gz BFLLZIRTMXAVEE-INIZCTEOSA-N 1 0 282.472 3.559 50 0 biogenic CHAARO Cc1c([C@H]2[C@H](CC[NH3+])C2(C)C)c2ccccc2n1C ZINC000002111442 567047015 /nfs/dbraw/zinc/04/70/15/567047015.db2.gz CSWYSAZUCZBEDB-XJKSGUPXSA-N 1 0 256.393 3.575 50 0 biogenic CHAARO Cc1noc(C)c1CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000252488922 567058744 /nfs/dbraw/zinc/05/87/44/567058744.db2.gz JBQYUSYTJOYMLM-CYBMUJFWSA-N 1 0 272.392 3.617 50 0 CHAARO CCCn1cc(C[N@H+](CC)Cc2ccc3[nH]ccc3c2)cn1 ZINC000252482816 567058842 /nfs/dbraw/zinc/05/88/42/567058842.db2.gz DOJNXMIPLOYNIM-UHFFFAOYSA-N 1 0 296.418 3.797 50 0 CHAARO CC[C@H]([NH2+][C@@H](C)c1ccc(C)s1)c1cnn(C)c1 ZINC000195540559 567070204 /nfs/dbraw/zinc/07/02/04/567070204.db2.gz BUAUKORTRXMEAI-AAEUAGOBSA-N 1 0 263.410 3.592 50 0 CHAARO C[NH+](C)CC[C@@H]1Cc2ccc(F)cc2C(=O)c2ccccc21 ZINC000019865043 567087456 /nfs/dbraw/zinc/08/74/56/567087456.db2.gz AJDSKAIDFXGPJF-CQSZACIVSA-N 1 0 297.373 3.648 50 0 CHAARO CC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000010495481 567112567 /nfs/dbraw/zinc/11/25/67/567112567.db2.gz NGJYGCPOKZUZMU-UHFFFAOYSA-N 1 0 268.198 3.681 50 0 CHAARO Cc1csc(CCC[NH2+][C@H](C)Cc2ccsc2)n1 ZINC000095421636 567130733 /nfs/dbraw/zinc/13/07/33/567130733.db2.gz AASCVQQCAHGBDM-LLVKDONJSA-N 1 0 280.462 3.666 50 0 CHAARO Cc1ncsc1C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000095421959 567131528 /nfs/dbraw/zinc/13/15/28/567131528.db2.gz ZVVWNFRQAHBENY-SNVBAGLBSA-N 1 0 293.411 3.507 50 0 CHAARO Cc1cc(NC[C@H]2CCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000095458015 567134859 /nfs/dbraw/zinc/13/48/59/567134859.db2.gz ZFRBPGDWGDAJRV-KBPBESRZSA-N 1 0 270.376 3.770 50 0 CHAARO C[C@@H]1C[N@H+](C)CC2=C1Oc1ccc3ccccc3c1C2 ZINC000096028019 567138676 /nfs/dbraw/zinc/13/86/76/567138676.db2.gz YMGGONRCAIZPMW-GFCCVEGCSA-N 1 0 265.356 3.610 50 0 CHAARO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1ccccn1 ZINC000055403627 567146371 /nfs/dbraw/zinc/14/63/71/567146371.db2.gz PIJRMEXPMFSILN-AWEZNQCLSA-N 1 0 258.365 3.721 50 0 CHAARO CC[NH+](CC)c1ccc(NCc2ccc3c(c2)OCO3)cc1 ZINC000002503599 567146402 /nfs/dbraw/zinc/14/64/02/567146402.db2.gz BWHCBDIURDOPLF-UHFFFAOYSA-N 1 0 298.386 3.874 50 0 CHAARO CC[NH+](CC)CCCNCc1c(Cl)cccc1Cl ZINC000002933153 567155345 /nfs/dbraw/zinc/15/53/45/567155345.db2.gz QFQNDIJBJGFBOO-UHFFFAOYSA-N 1 0 289.250 3.815 50 0 CHAARO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000057370893 567155621 /nfs/dbraw/zinc/15/56/21/567155621.db2.gz WQHNVCSQYFWFJH-LBPRGKRZSA-N 1 0 288.778 3.629 50 0 CHAARO Cc1ccccc1[C@@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000066969961 567194387 /nfs/dbraw/zinc/19/43/87/567194387.db2.gz LVDMCGZZABSJOS-CQSZACIVSA-N 1 0 279.387 3.733 50 0 CHAARO Cc1noc(C)c1CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000042132728 567205883 /nfs/dbraw/zinc/20/58/83/567205883.db2.gz RFQYUQNFSUMDNX-UHFFFAOYSA-N 1 0 298.308 3.942 50 0 CHAARO CNc1ccc(Cl)cc1[C@H]1[NH2+]CCc2ccccc21 ZINC000000056535 567817138 /nfs/dbraw/zinc/81/71/38/567817138.db2.gz XRUIERQCHYNNEP-INIZCTEOSA-N 1 0 272.779 3.617 50 0 biogenic CHAARO COc1cc(CC[C@H](C)[NH2+]Cc2ccccc2)ccc1O ZINC000000132932 567819438 /nfs/dbraw/zinc/81/94/38/567819438.db2.gz GEKRZHUGDNWIIB-AWEZNQCLSA-N 1 0 285.387 3.512 50 0 CHAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cccs1 ZINC000000177673 567821871 /nfs/dbraw/zinc/82/18/71/567821871.db2.gz PNZHYJLPSXGIOW-OAHLLOKOSA-N 1 0 285.412 3.810 50 0 aggregator CHAARO COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1)[N@H+](C)CC2 ZINC000000197220 567821956 /nfs/dbraw/zinc/82/19/56/567821956.db2.gz BGLDTMLFNFLJDH-LJQANCHMSA-N 1 0 297.398 3.590 50 0 CHAARO Fc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000000227022 567822314 /nfs/dbraw/zinc/82/23/14/567822314.db2.gz GCHCRHBAGFHFMV-UHFFFAOYSA-N 1 0 284.378 3.902 50 0 CHAARO CC1=C(CC[N@@H+]2CCCC[C@H]2CO)C(C)(C)CCC1 ZINC000000213137 567822548 /nfs/dbraw/zinc/82/25/48/567822548.db2.gz BIXHSEOURANZQG-HNNXBMFYSA-N 1 0 265.441 3.750 50 0 CHAARO Clc1ccc(C[n+]2csc3ccccc32)cc1 ZINC000000272559 567823765 /nfs/dbraw/zinc/82/37/65/567823765.db2.gz ZZZBDFMMLNTZRI-UHFFFAOYSA-N 1 0 260.769 3.891 50 0 CHAARO C[C@@H]1C[N@@H+](C2CCCCC2)CC[C@]1(O)c1ccccc1 ZINC000000293725 567824204 /nfs/dbraw/zinc/82/42/04/567824204.db2.gz HAAVQZPZYWUDMD-CRAIPNDOSA-N 1 0 273.420 3.549 50 0 CHAARO Cc1cccc(N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000000292218 567824304 /nfs/dbraw/zinc/82/43/04/567824304.db2.gz YZYIMYPWZPLPPY-UHFFFAOYSA-N 1 0 286.444 3.687 50 0 CHAARO Clc1ccc(CN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000000301943 567824499 /nfs/dbraw/zinc/82/44/99/567824499.db2.gz NUDBAUWWKREJBT-UHFFFAOYSA-N 1 0 297.789 3.926 50 0 CHAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@H]1C ZINC000000343276 567826023 /nfs/dbraw/zinc/82/60/23/567826023.db2.gz HBBYVYNODQXLEK-CQSZACIVSA-N 1 0 254.377 3.974 50 0 CHAARO CCc1cc(Br)cc2c(C[NH+](C)C)c[nH]c21 ZINC000000392813 567828834 /nfs/dbraw/zinc/82/88/34/567828834.db2.gz XFMPEYGGCHVJJH-UHFFFAOYSA-N 1 0 281.197 3.554 50 0 CHAARO CCCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000034863334 567834408 /nfs/dbraw/zinc/83/44/08/567834408.db2.gz XHOPTTCMNJMEQV-MRXNPFEDSA-N 1 0 274.452 3.819 50 0 CHAARO Cc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000001227299 567836492 /nfs/dbraw/zinc/83/64/92/567836492.db2.gz XAZPHVWPNBGRDI-UHFFFAOYSA-N 1 0 294.442 3.934 50 0 CHAARO Cc1cccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000001227761 567836537 /nfs/dbraw/zinc/83/65/37/567836537.db2.gz HHYYFOFOXFKBRU-UHFFFAOYSA-N 1 0 294.442 3.934 50 0 CHAARO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000002017838 567843928 /nfs/dbraw/zinc/84/39/28/567843928.db2.gz GOTMKOSCLKVOGG-OAHLLOKOSA-N 1 0 287.790 3.665 50 0 investigational CHAARO C[NH2+]CC/C=C1\c2ccccc2COc2ccccc21 ZINC000002035741 567844038 /nfs/dbraw/zinc/84/40/38/567844038.db2.gz HVKCEFHNSNZIHO-MHWRWJLKSA-N 1 0 265.356 3.620 50 0 in-vitro CHAARO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 ZINC000002017840 567844066 /nfs/dbraw/zinc/84/40/66/567844066.db2.gz GOTMKOSCLKVOGG-HNNXBMFYSA-N 1 0 287.790 3.665 50 0 in-vivo CHAARO CCCCC[NH2+]Cc1ccc(Br)cc1 ZINC000002178102 567845101 /nfs/dbraw/zinc/84/51/01/567845101.db2.gz WSUVOVCLWYRRDE-UHFFFAOYSA-N 1 0 256.187 3.729 50 0 CHAARO O=C(c1ccc(Cl)cc1)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514896 567846439 /nfs/dbraw/zinc/84/64/39/567846439.db2.gz DQRJXPQNVVNJHP-UHFFFAOYSA-N 1 0 297.785 3.943 50 0 CHAARO Cc1ccc(OCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000002899306 567850215 /nfs/dbraw/zinc/85/02/15/567850215.db2.gz QJKHFWSOWDBVTR-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO CC[C@@H](C)c1ccccc1OCCOCC[NH+]1CCCC1 ZINC000003003424 567851332 /nfs/dbraw/zinc/85/13/32/567851332.db2.gz YWHUJKPCBOUDMF-MRXNPFEDSA-N 1 0 291.435 3.691 50 0 CHAARO C[NH2+]Cc1cc(-c2ccc(F)cc2Cl)ccc1OC ZINC000067714055 567853250 /nfs/dbraw/zinc/85/32/50/567853250.db2.gz PTSCKDOYNRVDMX-UHFFFAOYSA-N 1 0 279.742 3.874 50 0 CHAARO Oc1ccc(SCCCC[NH+]2CCCCC2)cc1 ZINC000003683959 567853619 /nfs/dbraw/zinc/85/36/19/567853619.db2.gz ACUNYCXPPYOPBB-UHFFFAOYSA-N 1 0 265.422 3.750 50 0 CHAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(F)cc1 ZINC000003904976 567854358 /nfs/dbraw/zinc/85/43/58/567854358.db2.gz UWBNPVDYTHSVEP-MGPQQGTHSA-N 1 0 293.382 3.634 50 0 CHAARO Cc1ccccc1Cn1cc(SC(N)=[NH2+])c2ccccc21 ZINC000003866085 567854414 /nfs/dbraw/zinc/85/44/14/567854414.db2.gz LAGYFFDZUPNKDA-UHFFFAOYSA-N 1 0 295.411 3.984 50 0 CHAARO CCOc1ccc2ccccc2c1C[NH2+]Cc1cccnc1 ZINC000004413466 567857219 /nfs/dbraw/zinc/85/72/19/567857219.db2.gz VTAJDVZPSLDTAP-UHFFFAOYSA-N 1 0 292.382 3.923 50 0 CHAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccncc1 ZINC000004413608 567857350 /nfs/dbraw/zinc/85/73/50/567857350.db2.gz JAILOLJVXPMFSB-UHFFFAOYSA-N 1 0 278.355 3.533 50 0 CHAARO COc1ccc2ccccc2c1C[NH2+]Cc1cccnc1 ZINC000004413465 567857548 /nfs/dbraw/zinc/85/75/48/567857548.db2.gz GMPOLDRUKADDKO-UHFFFAOYSA-N 1 0 278.355 3.533 50 0 CHAARO Nc1[nH+]c2ccccc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000004632431 567858628 /nfs/dbraw/zinc/85/86/28/567858628.db2.gz PADBIPPTRVDGRZ-UHFFFAOYSA-N 1 0 291.276 3.686 50 0 CHAARO C[NH+](C)Cc1ccc(-c2cc(F)cc(Cl)c2)nc1 ZINC000097744902 567861513 /nfs/dbraw/zinc/86/15/13/567861513.db2.gz BWNNVXPJWZBZDS-UHFFFAOYSA-N 1 0 264.731 3.603 50 0 CHAARO CCOc1ccc(Br)cc1[C@@H]1CCCC[NH2+]1 ZINC000012404751 567862964 /nfs/dbraw/zinc/86/29/64/567862964.db2.gz GBHXWRIXBNBGGJ-LBPRGKRZSA-N 1 0 284.197 3.662 50 0 CHAARO c1ccc(COc2ccc(OC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631247 567869398 /nfs/dbraw/zinc/86/93/98/567869398.db2.gz ZGZUSJFOLZMTLE-KRWDZBQOSA-N 1 0 297.398 3.644 50 0 CHAARO Cc1cc(OCC2CC[NH2+]CC2)c(Cl)c(C)c1Cl ZINC000014631520 567869433 /nfs/dbraw/zinc/86/94/33/567869433.db2.gz FBEZIVHWKOUQAP-UHFFFAOYSA-N 1 0 288.218 3.989 50 0 CHAARO CC(C)(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014632371 567869507 /nfs/dbraw/zinc/86/95/07/567869507.db2.gz XZONYLGJBZSYHK-AWEZNQCLSA-N 1 0 261.409 3.753 50 0 CHAARO Cc1cc(OC[C@H]2CCC[NH2+]C2)c(Cl)c(C)c1Cl ZINC000014631350 567869538 /nfs/dbraw/zinc/86/95/38/567869538.db2.gz ZPCNFAPYQMLHOQ-NSHDSACASA-N 1 0 288.218 3.989 50 0 CHAARO c1ccc(-c2ccc(CO[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631603 567869640 /nfs/dbraw/zinc/86/96/40/567869640.db2.gz WOZOVXZTEIVCSJ-GOSISDBHSA-N 1 0 267.372 3.622 50 0 CHAARO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000032901351 567871164 /nfs/dbraw/zinc/87/11/64/567871164.db2.gz BQOIKWIZARSYFR-SFHVURJKSA-N 1 0 291.398 3.910 50 0 CHAARO CCc1ccc(CN2CC[NH+](C(CC)CC)CC2)cc1 ZINC000019367262 567878121 /nfs/dbraw/zinc/87/81/21/567878121.db2.gz ZQGYZCRLUWQXLV-UHFFFAOYSA-N 1 0 274.452 3.555 50 0 CHAARO c1ccc2c(c1)cccc2CC[NH2+]Cc1cccnc1 ZINC000019737632 567878509 /nfs/dbraw/zinc/87/85/09/567878509.db2.gz JZJKIGWJDUVHCS-UHFFFAOYSA-N 1 0 262.356 3.567 50 0 CHAARO CC[C@@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019882001 567879476 /nfs/dbraw/zinc/87/94/76/567879476.db2.gz HLHHDMMWSRCUBS-NXEZZACHSA-N 1 0 256.187 3.898 50 0 CHAARO Fc1ccc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000019885998 567879856 /nfs/dbraw/zinc/87/98/56/567879856.db2.gz NDINODOEORPMRD-UHFFFAOYSA-N 1 0 294.167 3.878 50 0 CHAARO COc1ccc([C@@H]([NH3+])c2ccccc2Cl)c(C)c1 ZINC000019972055 567880379 /nfs/dbraw/zinc/88/03/79/567880379.db2.gz YFVMDLXWNUANBF-OAHLLOKOSA-N 1 0 261.752 3.705 50 0 CHAARO CCOc1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1 ZINC000019967410 567880423 /nfs/dbraw/zinc/88/04/23/567880423.db2.gz KSGHJSOUOLCSCO-OAHLLOKOSA-N 1 0 261.752 3.787 50 0 CHAARO Oc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000000200788 567883977 /nfs/dbraw/zinc/88/39/77/567883977.db2.gz XEJDRKUOLXUTOC-UHFFFAOYSA-N 1 0 281.399 3.847 50 0 CHAARO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000072287553 567884353 /nfs/dbraw/zinc/88/43/53/567884353.db2.gz BKAATQKPXWVGSZ-MJGOQNOKSA-N 1 0 299.414 3.723 50 0 CHAARO Fc1cccc(C[n+]2ccc(Cc3ccccc3)cc2)c1F ZINC000029393770 567884481 /nfs/dbraw/zinc/88/44/81/567884481.db2.gz VIUPFPAGRLBWRR-UHFFFAOYSA-N 1 0 296.340 3.891 50 0 CHAARO CCCC[N@H+](C)Cc1ccccc1Br ZINC000032917443 567886421 /nfs/dbraw/zinc/88/64/21/567886421.db2.gz LUADAWIDBOWUIC-UHFFFAOYSA-N 1 0 256.187 3.681 50 0 CHAARO C[N@H+](CCc1ccccn1)Cc1ccccc1C(F)(F)F ZINC000023114872 567888461 /nfs/dbraw/zinc/88/84/61/567888461.db2.gz XGIDELUODWAZGV-UHFFFAOYSA-N 1 0 294.320 3.775 50 0 CHAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc2ccccc2c1 ZINC000022078276 567888548 /nfs/dbraw/zinc/88/85/48/567888548.db2.gz RUZOSVXUXMDZIJ-KXBFYZLASA-N 1 0 280.415 3.508 50 0 CHAARO c1coc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000023471731 567888698 /nfs/dbraw/zinc/88/86/98/567888698.db2.gz BIZSEHPFITVFIS-ROUUACIJSA-N 1 0 288.435 3.509 50 0 CHAARO C[NH2+]Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC000034656730 567888858 /nfs/dbraw/zinc/88/88/58/567888858.db2.gz CQPMTVGAAWIPGE-UHFFFAOYSA-N 1 0 269.388 3.910 50 0 CHAARO CC[NH2+][C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000036819983 567889698 /nfs/dbraw/zinc/88/96/98/567889698.db2.gz XCLOFVSSVHNWOB-KRWDZBQOSA-N 1 0 254.377 3.904 50 0 CHAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001602 567890165 /nfs/dbraw/zinc/89/01/65/567890165.db2.gz YSUVURQIWGMWJH-JGVFFNPUSA-N 1 0 262.216 3.960 50 0 CHAARO CCc1cc(Cl)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770958 567891554 /nfs/dbraw/zinc/89/15/54/567891554.db2.gz KQQHVVOVBRLXDD-GFCCVEGCSA-N 1 0 267.800 3.671 50 0 CHAARO CC(C)(C)c1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772447 567891579 /nfs/dbraw/zinc/89/15/79/567891579.db2.gz CERGIWJCBHXBTH-CQSZACIVSA-N 1 0 261.409 3.753 50 0 CHAARO Clc1ccc(Cl)c(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772349 567891647 /nfs/dbraw/zinc/89/16/47/567891647.db2.gz ICLODPRFMAXAJD-SNVBAGLBSA-N 1 0 274.191 3.762 50 0 CHAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1Br ZINC000042419224 567891694 /nfs/dbraw/zinc/89/16/94/567891694.db2.gz WDTWUBOMMXEIHP-MNOVXSKESA-N 1 0 270.214 3.973 50 0 CHAARO CC(C)(C)c1cccc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772800 567891748 /nfs/dbraw/zinc/89/17/48/567891748.db2.gz GSNFYKAJDSLOOH-AWEZNQCLSA-N 1 0 261.409 3.753 50 0 CHAARO Clc1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042775508 567892030 /nfs/dbraw/zinc/89/20/30/567892030.db2.gz LRDSGZUQJNVFRL-AWEZNQCLSA-N 1 0 273.763 3.748 50 0 CHAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000095408714 567893662 /nfs/dbraw/zinc/89/36/62/567893662.db2.gz ZAXBPNLIYFJJBU-LBPRGKRZSA-N 1 0 260.768 3.928 50 0 CHAARO Cc1ccsc1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000055542872 567894585 /nfs/dbraw/zinc/89/45/85/567894585.db2.gz DGCDSQJDYVSRBI-UHFFFAOYSA-N 1 0 286.444 3.687 50 0 CHAARO CCc1cc(C[N@H+](C)CC2=CC[C@H]3C[C@@H]2C3(C)C)on1 ZINC000065399320 567898908 /nfs/dbraw/zinc/89/89/08/567898908.db2.gz DKNVMHUDRYWQSQ-BBRMVZONSA-N 1 0 274.408 3.661 50 0 CHAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ccccc2O)c1 ZINC000067541868 567900032 /nfs/dbraw/zinc/90/00/32/567900032.db2.gz UNWSBMVMSKTAGB-MRXNPFEDSA-N 1 0 297.398 3.840 50 0 CHAARO Cc1cc2c(c(-c3ccc4occc4c3)c1)O[C@@H](C[NH3+])C2 ZINC000067756070 567900621 /nfs/dbraw/zinc/90/06/21/567900621.db2.gz SPMYWLFSCLWVNQ-OAHLLOKOSA-N 1 0 279.339 3.670 50 0 CHAARO CC(C)C[C@@H]([NH2+]C1CSCCSC1)c1cccnc1 ZINC000067955853 567900986 /nfs/dbraw/zinc/90/09/86/567900986.db2.gz BERAAPHPPWCDNF-OAHLLOKOSA-N 1 0 296.505 3.607 50 0 CHAARO C[NH+](C)CC[C@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC000072477530 567903286 /nfs/dbraw/zinc/90/32/86/567903286.db2.gz FDXONPFRXQMYGY-MRXNPFEDSA-N 1 0 298.833 3.785 50 0 CHAARO Fc1ccc(COC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000097051439 567903524 /nfs/dbraw/zinc/90/35/24/567903524.db2.gz GSFWHXDJBQPZKW-UHFFFAOYSA-N 1 0 289.350 3.600 50 0 CHAARO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000097103350 567904175 /nfs/dbraw/zinc/90/41/75/567904175.db2.gz ONURQICLVRDFQL-DOMZBBRYSA-N 1 0 288.439 3.501 50 0 CHAARO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@H]2C[C@@H]2C)n1 ZINC000097105620 567904333 /nfs/dbraw/zinc/90/43/33/567904333.db2.gz GKWHMOGCBNAMHQ-WMLDXEAASA-N 1 0 295.430 3.752 50 0 CHAARO C[C@H](c1ccncc1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000097113706 567904730 /nfs/dbraw/zinc/90/47/30/567904730.db2.gz IXWXYVOCHVMNBE-CYBMUJFWSA-N 1 0 265.360 3.756 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000097159087 567904960 /nfs/dbraw/zinc/90/49/60/567904960.db2.gz QDZPGDADJZAIOO-LJQANCHMSA-N 1 0 291.398 3.792 50 0 CHAARO OC[C@H]1CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000121334341 567906267 /nfs/dbraw/zinc/90/62/67/567906267.db2.gz PIDBRROANDWCTC-LNSITVRQSA-N 1 0 295.423 3.503 50 0 CHAARO Cc1ccc(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000016247717 567908555 /nfs/dbraw/zinc/90/85/55/567908555.db2.gz MBDOBPOTRVDBQP-OKILXGFUSA-N 1 0 297.826 3.527 50 0 CHAARO Cc1ccc2ncc(-c3ccc(C[NH+](C)C)cn3)cc2c1 ZINC000097572339 567910858 /nfs/dbraw/zinc/91/08/58/567910858.db2.gz KIPGHOOEBKFNBV-UHFFFAOYSA-N 1 0 277.371 3.667 50 0 CHAARO c1ccc(COC2=CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000098213372 567911624 /nfs/dbraw/zinc/91/16/24/567911624.db2.gz WKMTXDBUDKSLHT-UHFFFAOYSA-N 1 0 279.383 3.993 50 0 CHAARO FC(F)(F)Sc1ccccc1C[NH2+]CC1CC1 ZINC000725270369 567924657 /nfs/dbraw/zinc/92/46/57/567924657.db2.gz JCFLXIGADUNYGE-UHFFFAOYSA-N 1 0 261.312 3.798 50 0 CHAARO Fc1ccc(-[n+]2cc(-c3ccccc3)n3c2SCC3)cc1 ZINC000000251468 567925715 /nfs/dbraw/zinc/92/57/15/567925715.db2.gz AULOGHLLNXAAAX-UHFFFAOYSA-N 1 0 297.378 3.677 50 0 CHAARO Cc1cc(Cl)ccc1-c1cccc2c1O[C@H](C[NH3+])C2 ZINC000034396589 567932672 /nfs/dbraw/zinc/93/26/72/567932672.db2.gz NRTDVNZQACCYSG-ZDUSSCGKSA-N 1 0 273.763 3.578 50 0 CHAARO CCOP(=O)(OCC)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000025501048 567939694 /nfs/dbraw/zinc/93/96/94/567939694.db2.gz CLTNPSYRMWSMNP-LLVKDONJSA-N 1 0 277.688 3.563 50 0 CHAARO CC(C)Oc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000012437478 567940091 /nfs/dbraw/zinc/94/00/91/567940091.db2.gz QMWCFDFPTGVASU-KRWDZBQOSA-N 1 0 297.398 3.567 50 0 CHAARO CC(C)Oc1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000012437480 567940280 /nfs/dbraw/zinc/94/02/80/567940280.db2.gz QMWCFDFPTGVASU-QGZVFWFLSA-N 1 0 297.398 3.567 50 0 CHAARO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000102508314 567941664 /nfs/dbraw/zinc/94/16/64/567941664.db2.gz SGGPQDFATTWKIN-FRRDWIJNSA-N 1 0 294.826 3.645 50 0 CHAARO C[C@H](CCc1ccccc1)[NH2+]CCc1ccccc1 ZINC000013718411 567942269 /nfs/dbraw/zinc/94/22/69/567942269.db2.gz WVNDASDBEDZRQL-MRXNPFEDSA-N 1 0 253.389 3.840 50 0 CHAARO CCc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019537051 567944635 /nfs/dbraw/zinc/94/46/35/567944635.db2.gz DQXABZBQGOYQLP-UHFFFAOYSA-N 1 0 294.442 3.567 50 0 CHAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1 ZINC000019899658 567945109 /nfs/dbraw/zinc/94/51/09/567945109.db2.gz ZRWMHLVIVRKHBX-SFHVURJKSA-N 1 0 267.372 3.862 50 0 CHAARO Cc1c([C@H](C)[NH2+]C2CCCC2)cnn1-c1cccc(F)c1 ZINC000012303389 567947738 /nfs/dbraw/zinc/94/77/38/567947738.db2.gz QBJWULMNAQZJBN-LBPRGKRZSA-N 1 0 287.382 3.913 50 0 CHAARO CCC[C@H](O)C[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225392821 567953307 /nfs/dbraw/zinc/95/33/07/567953307.db2.gz KLBYEFQGHMBIJS-ZDUSSCGKSA-N 1 0 291.366 3.645 50 0 CHAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1[nH]cnc1C ZINC000055359410 570242859 /nfs/dbraw/zinc/24/28/59/570242859.db2.gz ITUVYRWOBVVCGP-LLVKDONJSA-N 1 0 263.410 3.580 50 0 CHAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000011879747 570220846 /nfs/dbraw/zinc/22/08/46/570220846.db2.gz KFDBIWMJGIWFNG-ZDUSSCGKSA-N 1 0 277.795 3.787 50 0 CHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2)on1 ZINC000052008341 570238567 /nfs/dbraw/zinc/23/85/67/570238567.db2.gz MRWIRYKAMJKMDW-HNNXBMFYSA-N 1 0 256.349 3.629 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000055307931 570242355 /nfs/dbraw/zinc/24/23/55/570242355.db2.gz NZDKTQXHLOSPPK-RBFDBLARSA-N 1 0 284.403 3.949 50 0 CHAARO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cccnc1 ZINC000055392892 570243239 /nfs/dbraw/zinc/24/32/39/570243239.db2.gz ZVGAFHPAWVCKAB-ZDUSSCGKSA-N 1 0 260.406 3.944 50 0 CHAARO CCC[NH+]1CCC(N[C@H](CC(C)C)c2cccnc2)CC1 ZINC000065526049 570244462 /nfs/dbraw/zinc/24/44/62/570244462.db2.gz KNSDBHSGGHYAOT-GOSISDBHSA-N 1 0 289.467 3.633 50 0 CHAARO CCc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)o1 ZINC000065531460 570244668 /nfs/dbraw/zinc/24/46/68/570244668.db2.gz XJIDCIHUKYPMFV-HNNXBMFYSA-N 1 0 274.364 3.784 50 0 CHAARO c1ccc([C@@H]2CCC[N@@H+](Cc3cccnc3)CC2)cc1 ZINC000066897880 570245765 /nfs/dbraw/zinc/24/57/65/570245765.db2.gz IDOKPOLEUROBST-GOSISDBHSA-N 1 0 266.388 3.851 50 0 CHAARO CC[C@H](COC)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000070657886 570248968 /nfs/dbraw/zinc/24/89/68/570248968.db2.gz QRMYKNDQERPTPB-RKDXNWHRSA-N 1 0 292.242 3.586 50 0 CHAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C)nc1 ZINC000047826033 570295860 /nfs/dbraw/zinc/29/58/60/570295860.db2.gz MSXBWFRUQHYNPR-UHFFFAOYSA-N 1 0 292.382 3.842 50 0 CHAARO CC[C@H]([NH2+]Cc1cccc(OC)c1OC(F)F)C(C)C ZINC000049127562 570299847 /nfs/dbraw/zinc/29/98/47/570299847.db2.gz DCDGCZSIDYXJAY-LBPRGKRZSA-N 1 0 287.350 3.821 50 0 CHAARO COc1cccc([C@H]2CCN2Cc2coc(C(C)C)n2)c1 ZINC000215223400 570302438 /nfs/dbraw/zinc/30/24/38/570302438.db2.gz YQPUZSOUONQCBV-MRXNPFEDSA-N 1 0 286.375 3.754 50 0 CHAARO Nc1ncccc1C[N@@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000215128655 570302449 /nfs/dbraw/zinc/30/24/49/570302449.db2.gz AWNUNOMNQZSAMF-KRWDZBQOSA-N 1 0 299.393 3.920 50 0 CHAARO C[N@H+](Cc1ccc2cc(O)ccc2c1)C1CCSCC1 ZINC000215495640 570303355 /nfs/dbraw/zinc/30/33/55/570303355.db2.gz NDVKSTMABDBMNC-UHFFFAOYSA-N 1 0 287.428 3.873 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000023989554 570311477 /nfs/dbraw/zinc/31/14/77/570311477.db2.gz PSUDWYTXGTXFKN-LJQANCHMSA-N 1 0 294.398 3.812 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000229704404 570316596 /nfs/dbraw/zinc/31/65/96/570316596.db2.gz PREZGGBBSHVXGJ-TZMCWYRMSA-N 1 0 284.403 3.779 50 0 CHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC000012445317 570319194 /nfs/dbraw/zinc/31/91/94/570319194.db2.gz DKMSTILZLFPFPQ-KRWDZBQOSA-N 1 0 283.419 3.563 50 0 CHAARO C[N@H+](CCCCCF)Cc1cccc2ncccc12 ZINC000244866618 570320751 /nfs/dbraw/zinc/32/07/51/570320751.db2.gz VZFYDTPZEJXVQO-UHFFFAOYSA-N 1 0 260.356 3.806 50 0 CHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000053573808 570349145 /nfs/dbraw/zinc/34/91/45/570349145.db2.gz RZTYYQXRKGPMMD-QLFBSQMISA-N 1 0 299.418 3.669 50 0 CHAARO CC1(C[NH2+]C(c2ccccc2)c2ccccc2)OCCCO1 ZINC000190655982 570350798 /nfs/dbraw/zinc/35/07/98/570350798.db2.gz LUWYJBJPSADCGH-UHFFFAOYSA-N 1 0 297.398 3.519 50 0 CHAARO COc1cc([C@@H](C)[NH2+]Cc2ccc3occc3c2)ccn1 ZINC000342287850 570354592 /nfs/dbraw/zinc/35/45/92/570354592.db2.gz USXTUEKWUBKXTQ-GFCCVEGCSA-N 1 0 282.343 3.687 50 0 CHAARO C[C@@H]1CSc2ccccc2[C@@H]1[NH2+]Cc1ccco1 ZINC000095427052 570371824 /nfs/dbraw/zinc/37/18/24/570371824.db2.gz DEMVWLOJCWZKQT-IAQYHMDHSA-N 1 0 259.374 3.852 50 0 CHAARO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@@H]3CC=CC[C@H]3[C@H]12 ZINC000252694718 570378539 /nfs/dbraw/zinc/37/85/39/570378539.db2.gz OUQFYCOJMMHQMV-VEVIJQCQSA-N 1 0 264.372 3.663 50 0 biogenic CHAARO CCCCC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000002288996 570384661 /nfs/dbraw/zinc/38/46/61/570384661.db2.gz ONFRGMUPERGCQP-UHFFFAOYSA-N 1 0 259.393 3.658 50 0 CHAARO C[C@@H]([NH3+])c1ccc2cc(Br)ccc2c1 ZINC000163279945 570398698 /nfs/dbraw/zinc/39/86/98/570398698.db2.gz ULQUJKPUWDEUTB-MRVPVSSYSA-N 1 0 250.139 3.622 50 0 CHAARO CCN(CCC[NH+](CC)CC)Cc1cc2ccccc2o1 ZINC000002295034 570385611 /nfs/dbraw/zinc/38/56/11/570385611.db2.gz OSMSELZIIHWHMD-UHFFFAOYSA-N 1 0 288.435 3.987 50 0 CHAARO C[NH+](C)CCCN(Cc1ccccc1)c1ccccc1 ZINC000008577367 570392742 /nfs/dbraw/zinc/39/27/42/570392742.db2.gz VADJDLMUBPSINX-UHFFFAOYSA-N 1 0 268.404 3.645 50 0 CHAARO Cc1ncsc1C[NH2+]CCc1c[nH]c2c1cccc2C ZINC000174447454 570404442 /nfs/dbraw/zinc/40/44/42/570404442.db2.gz GTOSRTKVKPVOAU-UHFFFAOYSA-N 1 0 285.416 3.574 50 0 CHAARO CC(C)=CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000075696348 570404952 /nfs/dbraw/zinc/40/49/52/570404952.db2.gz FCSQUIJRUOMZJM-CQSZACIVSA-N 1 0 270.376 3.973 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037073470 570411344 /nfs/dbraw/zinc/41/13/44/570411344.db2.gz SUNCVWMNPCBADI-ZDUSSCGKSA-N 1 0 293.823 3.698 50 0 CHAARO C[NH2+]CCCN1c2ccccc2Sc2ccccc21 ZINC000002018134 571682710 /nfs/dbraw/zinc/68/27/10/571682710.db2.gz WOCOVPRTRIBGFZ-UHFFFAOYSA-N 1 0 270.401 3.899 50 0 endogenous,world CHAARO CC[C@H]1C=CC[N@@H+]1Cc1c[nH]nc1-c1cc(C)ccc1C ZINC000952970410 615877352 /nfs/dbraw/zinc/87/73/52/615877352.db2.gz AFQVCMMWLJJPSU-INIZCTEOSA-N 1 0 281.403 3.844 50 0 CHAARO C[N@H+](Cc1ccc(-c2ccco2)cc1)C1CCOCC1 ZINC000215984346 1125583734 /nfs/dbraw/zinc/58/37/34/1125583734.db2.gz GHYDFWNWRNMLJJ-UHFFFAOYSA-N 1 0 271.360 3.557 50 0 CHAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(F)cc1 ZINC000245607440 1125584680 /nfs/dbraw/zinc/58/46/80/1125584680.db2.gz ISLLPFFAZGQQSP-RDTXWAMCSA-N 1 0 299.393 3.543 50 0 CHAARO C[C@H](c1ccc(-c2nc3ccccc3[nH]2)cc1)[NH+](C)C ZINC000055326733 1125658981 /nfs/dbraw/zinc/65/89/81/1125658981.db2.gz CVNNZTGCDQHKLC-GFCCVEGCSA-N 1 0 265.360 3.853 50 0 CHAARO C[C@@H]([NH2+]CCCC1(O)CCC1)c1coc2ccccc21 ZINC000863982558 1128709839 /nfs/dbraw/zinc/70/98/39/1128709839.db2.gz SZWOYUMGJUSNAF-CYBMUJFWSA-N 1 0 273.376 3.779 50 0 CHAARO COc1cccc(Cl)c1-c1cc(C[NH3+])ccc1F ZINC000067785649 1117794773 /nfs/dbraw/zinc/79/47/73/1117794773.db2.gz UCUWZCMINHUGKH-UHFFFAOYSA-N 1 0 265.715 3.613 50 0 CHAARO COc1ccc([C@@H](C)[N@H+](C)Cc2cnc(C(C)C)nc2)cc1 ZINC000101279838 1118582626 /nfs/dbraw/zinc/58/26/26/1118582626.db2.gz UTLHPRMEPPWFSY-CQSZACIVSA-N 1 0 299.418 3.802 50 0 CHAARO Cc1ccc(Cl)c(OCCCC[NH+]2CCCC2)c1 ZINC000002932308 1119190403 /nfs/dbraw/zinc/19/04/03/1119190403.db2.gz GPUVIOWBBSFJJI-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO Clc1ccc(SCCOCC[NH+]2CCCC2)cc1 ZINC000003000983 1119265964 /nfs/dbraw/zinc/26/59/64/1119265964.db2.gz KRLINCFMCOPLEW-UHFFFAOYSA-N 1 0 285.840 3.545 50 0 CHAARO CC(C)[C@@H]([NH2+]C[C@H]1CC=CCC1)c1nc(C2CC2)no1 ZINC000122949797 1120339740 /nfs/dbraw/zinc/33/97/40/1120339740.db2.gz JSERQIRYJMGKNG-GXTWGEPZSA-N 1 0 275.396 3.590 50 0 CHAARO c1sc2ccccc2c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000047848621 1120797314 /nfs/dbraw/zinc/79/73/14/1120797314.db2.gz ZLHJVPIQJYYSEJ-OAHLLOKOSA-N 1 0 295.407 3.995 50 0 CHAARO CC[NH+](CC)CCCOc1cc(C)ccc1Cl ZINC000005024247 1120951967 /nfs/dbraw/zinc/95/19/67/1120951967.db2.gz TYLXREQLHWSRBY-UHFFFAOYSA-N 1 0 255.789 3.759 50 0 CHAARO C[C@H]1C[N@H+](C/C=C/c2ccccc2)Cc2ccccc2O1 ZINC000014994246 1121288801 /nfs/dbraw/zinc/28/88/01/1121288801.db2.gz QFVLWNNPSFVYHU-JCVNQNCUSA-N 1 0 279.383 3.983 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000038011114 1121914472 /nfs/dbraw/zinc/91/44/72/1121914472.db2.gz PHOWRRKAQZYGHH-JTQLQIEISA-N 1 0 283.297 3.588 50 0 CHAARO COc1cncc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)c1 ZINC000426606796 1122831853 /nfs/dbraw/zinc/83/18/53/1122831853.db2.gz SZQYEQIJWIPQAU-CQSZACIVSA-N 1 0 282.387 3.914 50 0 CHAARO Fc1ccccc1CCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000684426681 1123468713 /nfs/dbraw/zinc/46/87/13/1123468713.db2.gz QASMBCLWHKVXQF-KRWDZBQOSA-N 1 0 298.405 3.627 50 0 CHAARO C1CC1[C@H]1C[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)CCO1 ZINC000585117462 1131308853 /nfs/dbraw/zinc/30/88/53/1131308853.db2.gz FAXDRBYMVCHQGI-ZWKOTPCHSA-N 1 0 275.436 3.957 50 0 CHAARO COC1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000053906814 1125434281 /nfs/dbraw/zinc/43/42/81/1125434281.db2.gz ZABSOCIKGRJOAQ-NSHDSACASA-N 1 0 253.773 3.512 50 0 CHAARO Cc1cc(NC[C@@H]2CCCC[N@H+]2C)nc2cc(F)ccc12 ZINC000823777903 1129271270 /nfs/dbraw/zinc/27/12/70/1129271270.db2.gz RTZACZDWGTZYFU-AWEZNQCLSA-N 1 0 287.382 3.579 50 0 CHAARO C[C@@H](c1ccc(-c2ccccc2C(=O)N(C)C)cc1)[NH+](C)C ZINC000096151047 1129517281 /nfs/dbraw/zinc/51/72/81/1129517281.db2.gz CYYGLXQLLNKVON-AWEZNQCLSA-N 1 0 296.414 3.678 50 0 CHAARO CC(=O)NC1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000050989802 1129650342 /nfs/dbraw/zinc/65/03/42/1129650342.db2.gz XGMHKXTUSQAWBB-CQSZACIVSA-N 1 0 296.414 3.501 50 0 CHAARO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)CC[C@@]1(O)c1ccccc1 ZINC000013387825 1129832944 /nfs/dbraw/zinc/83/29/44/1129832944.db2.gz MIQQNFDIJGZCGD-MNEFBYGVSA-N 1 0 281.399 3.587 50 0 CHAARO O[C@@H](CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000039408902 1129852167 /nfs/dbraw/zinc/85/21/67/1129852167.db2.gz YRKGHRWEQRXNBR-OALUTQOASA-N 1 0 281.399 3.600 50 0 CHAARO c1ccc2c(c1)CCC[C@H]2[NH2+]C1CSCCSC1 ZINC000952960567 1132017151 /nfs/dbraw/zinc/01/71/51/1132017151.db2.gz VJXPPBFSAYMRNI-OAHLLOKOSA-N 1 0 279.474 3.502 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+][C@H](CC(C)(C)C)c1cccnc1 ZINC000952976071 1132017902 /nfs/dbraw/zinc/01/79/02/1132017902.db2.gz DQKZDZSMXIRQIE-MRXNPFEDSA-N 1 0 286.423 3.689 50 0 CHAARO Cc1nc[nH]c1C[N@@H+](C)C[C@]1(c2ccccc2)CC1(C)C ZINC000952968055 1132018236 /nfs/dbraw/zinc/01/82/36/1132018236.db2.gz JHDGBRJTQHOVRN-SFHVURJKSA-N 1 0 283.419 3.518 50 0 CHAARO Cc1ncsc1C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000096476675 230379857 /nfs/dbraw/zinc/37/98/57/230379857.db2.gz FEQZQEDNIMMYKZ-CQSZACIVSA-N 1 0 275.421 3.724 50 0 CHAARO C[C@H]([NH2+]Cc1cccnc1)c1ccccc1OC(F)(F)F ZINC000097016321 230386361 /nfs/dbraw/zinc/38/63/61/230386361.db2.gz XWFRXXNXSJLRIP-NSHDSACASA-N 1 0 296.292 3.831 50 0 CHAARO CSCC[C@H](C)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000095968200 185046370 /nfs/dbraw/zinc/04/63/70/185046370.db2.gz JANZJMDZOZZRQJ-YQQAZPJKSA-N 1 0 292.492 3.553 50 0 CHAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000095967327 185046443 /nfs/dbraw/zinc/04/64/43/185046443.db2.gz ATOQZLBCFDQYGP-ILXRZTDVSA-N 1 0 290.451 3.739 50 0 CHAARO Cc1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000096077912 185089784 /nfs/dbraw/zinc/08/97/84/185089784.db2.gz UJBCMDVTNHKQTA-IBGZPJMESA-N 1 0 274.367 3.978 50 0 CHAARO CCc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)n[nH]1 ZINC000426623196 529704482 /nfs/dbraw/zinc/70/44/82/529704482.db2.gz IVVFLKIISGGJOF-ZDUSSCGKSA-N 1 0 284.407 3.581 50 0 CHAARO CC(C)[NH+](Cc1csc([C@@H]2CCCO2)n1)C(C)C ZINC000097048560 185515195 /nfs/dbraw/zinc/51/51/95/185515195.db2.gz IVEJFXRDRGRWNZ-ZDUSSCGKSA-N 1 0 268.426 3.613 50 0 CHAARO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2)C12CCCC2 ZINC000085679966 179113277 /nfs/dbraw/zinc/11/32/77/179113277.db2.gz OBCFGXJHXMMKAL-SJORKVTESA-N 1 0 289.419 3.523 50 0 CHAARO CC[C@@H](C)[NH2+]Cc1ccc(Br)c(C)c1 ZINC000085706614 179121280 /nfs/dbraw/zinc/12/12/80/179121280.db2.gz WGQGDMXPICRIDX-SNVBAGLBSA-N 1 0 256.187 3.646 50 0 CHAARO CC(C)(C)[S@](=O)CC[NH2+]Cc1cc2ccccc2s1 ZINC000089694433 179847409 /nfs/dbraw/zinc/84/74/09/179847409.db2.gz CDANTVKBPHSEGB-IBGZPJMESA-N 1 0 295.473 3.538 50 0 CHAARO COc1ccc(OCC[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000089895767 179879527 /nfs/dbraw/zinc/87/95/27/179879527.db2.gz DSUIFNKOMVBJQY-MRXNPFEDSA-N 1 0 299.414 3.685 50 0 CHAARO C[C@@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)C(C)(C)C ZINC000108324672 186211310 /nfs/dbraw/zinc/21/13/10/186211310.db2.gz AHRAFDULWVDUBJ-LZWOXQAQSA-N 1 0 263.425 3.565 50 0 CHAARO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H]2CCCO[C@@H]21 ZINC000169992546 188666633 /nfs/dbraw/zinc/66/66/33/188666633.db2.gz OFROQGZJFGOMIK-NXHRZFHOSA-N 1 0 298.430 3.504 50 0 CHAARO COc1ccc(C[NH+]2CCCCCC2)cc1Br ZINC000000239444 169583358 /nfs/dbraw/zinc/58/33/58/169583358.db2.gz DDNRJKJHZMTOHY-UHFFFAOYSA-N 1 0 298.224 3.834 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)cc1OC ZINC000004021997 184528591 /nfs/dbraw/zinc/52/85/91/184528591.db2.gz DBBKYSFKMHTXAC-IJEWVQPXSA-N 1 0 291.435 3.803 50 0 CHAARO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1F ZINC000097017103 533001767 /nfs/dbraw/zinc/00/17/67/533001767.db2.gz LKPGHFLGVDDJQP-GHMZBOCLSA-N 1 0 293.411 3.693 50 0 CHAARO C[N@H+](CCCOc1ccccc1F)Cc1ccccc1 ZINC000002823623 256857807 /nfs/dbraw/zinc/85/78/07/256857807.db2.gz LQJMUOZKVJSPNH-UHFFFAOYSA-N 1 0 273.351 3.727 50 0 CHAARO c1ccc2ncc(-c3cccc4c3CC[NH2+]C4)cc2c1 ZINC000071762207 256878745 /nfs/dbraw/zinc/87/87/45/256878745.db2.gz WXWCUQXEUIGXQA-UHFFFAOYSA-N 1 0 260.340 3.548 50 0 CHAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C[C@@H]1C ZINC000095451038 184990316 /nfs/dbraw/zinc/99/03/16/184990316.db2.gz WNQZBQCCYVWQBJ-CWRNSKLLSA-N 1 0 295.467 3.913 50 0 CHAARO CC[C@H](C)[NH2+]CCOc1ccc(Br)cc1C ZINC000002823781 169834534 /nfs/dbraw/zinc/83/45/34/169834534.db2.gz SJDPKFRMUBPJOF-NSHDSACASA-N 1 0 286.213 3.524 50 0 CHAARO CC[C@@H](C)c1ccc(OCCC[NH2+]CCCOC)cc1 ZINC000003002652 169848956 /nfs/dbraw/zinc/84/89/56/169848956.db2.gz XCZXAJCVKXPHHC-OAHLLOKOSA-N 1 0 279.424 3.595 50 0 CHAARO Brc1ccccc1OCCCC[NH+]1CCCC1 ZINC000003682086 169908052 /nfs/dbraw/zinc/90/80/52/169908052.db2.gz NBGBQUPVIVFHEM-UHFFFAOYSA-N 1 0 298.224 3.704 50 0 CHAARO c1ccc(COc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000004845158 170029263 /nfs/dbraw/zinc/02/92/63/170029263.db2.gz BBUWRFSVSNGYDB-UHFFFAOYSA-N 1 0 297.398 3.740 50 0 CHAARO c1ccc(-c2ccccc2OCC[NH+]2CCCC2)cc1 ZINC000004845357 170029718 /nfs/dbraw/zinc/02/97/18/170029718.db2.gz ILBOKJSDNPPQBF-UHFFFAOYSA-N 1 0 267.372 3.828 50 0 CHAARO C[C@]12CC3CC([NH2+]Cc4ccccn4)(C1)C[C@@](C)(C3)C2 ZINC000004935087 170042160 /nfs/dbraw/zinc/04/21/60/170042160.db2.gz LUSZWADSAYVKKZ-JGAFYBCUSA-N 1 0 270.420 3.920 50 0 CHAARO Brc1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000004978669 170048070 /nfs/dbraw/zinc/04/80/70/170048070.db2.gz OAYPOBLSOOQPLO-UHFFFAOYSA-N 1 0 298.224 3.704 50 0 CHAARO Cc1ccc([C@@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000005617800 170120753 /nfs/dbraw/zinc/12/07/53/170120753.db2.gz BYKGNHGDMQKYEE-ROUUACIJSA-N 1 0 297.373 3.662 50 0 CHAARO c1c(-c2cccc3ccccc32)n[nH]c1C1CC[NH2+]CC1 ZINC000005762761 170138267 /nfs/dbraw/zinc/13/82/67/170138267.db2.gz KJCOJSQXSSWBOW-UHFFFAOYSA-N 1 0 277.371 3.697 50 0 CHAARO CC(C)c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000006720018 170231938 /nfs/dbraw/zinc/23/19/38/170231938.db2.gz FETXKHAZVOGYIQ-UHFFFAOYSA-N 1 0 283.371 3.829 50 0 CHAARO Clc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCO2)o1 ZINC000006746086 170239035 /nfs/dbraw/zinc/23/90/35/170239035.db2.gz FCTMGISVRDPTGY-GFCCVEGCSA-N 1 0 291.778 3.869 50 0 CHAARO CCCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007261715 170274086 /nfs/dbraw/zinc/27/40/86/170274086.db2.gz ZPHNQYIUKSAZLO-ZDUSSCGKSA-N 1 0 273.376 3.890 50 0 CHAARO c1cc(C[NH2+]CCc2c[nH]c3ccccc23)cs1 ZINC000007525048 170288923 /nfs/dbraw/zinc/28/89/23/170288923.db2.gz VQLDFXXJOXFZHI-UHFFFAOYSA-N 1 0 256.374 3.562 50 0 CHAARO CC[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008344401 170332529 /nfs/dbraw/zinc/33/25/29/170332529.db2.gz MTUFDDWMNDOBEV-DTWKUNHWSA-N 1 0 289.206 3.709 50 0 CHAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1F ZINC000008553294 170339867 /nfs/dbraw/zinc/33/98/67/170339867.db2.gz RVQIYLDWJBKUAL-MJBXVCDLSA-N 1 0 293.382 3.634 50 0 CHAARO Cc1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008700836 170346694 /nfs/dbraw/zinc/34/66/94/170346694.db2.gz FCERUZDINCMNOW-CYBMUJFWSA-N 1 0 284.403 3.932 50 0 CHAARO Cc1cc(C)c2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008713990 170348625 /nfs/dbraw/zinc/34/86/25/170348625.db2.gz VYQXTJSKIDSRNZ-UHFFFAOYSA-N 1 0 284.403 3.852 50 0 CHAARO CCC(C)(C)OC[C@@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000008844703 170357299 /nfs/dbraw/zinc/35/72/99/170357299.db2.gz VCCYUYTYCVNCQE-AWEZNQCLSA-N 1 0 285.472 3.596 50 0 CHAARO CC(C)[C@H](CC[NH2+]Cc1cccnc1)c1ccco1 ZINC000008990950 170360671 /nfs/dbraw/zinc/36/06/71/170360671.db2.gz MWYIOJHPPUWWDW-HNNXBMFYSA-N 1 0 258.365 3.594 50 0 CHAARO CC(C)C[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009417782 170376128 /nfs/dbraw/zinc/37/61/28/170376128.db2.gz GXWUQBBIPGJHIT-UHFFFAOYSA-N 1 0 282.387 3.685 50 0 CHAARO C[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c2ccc(F)cc12 ZINC000009422097 170376385 /nfs/dbraw/zinc/37/63/85/170376385.db2.gz IMCYGPKIVVEORV-CYBMUJFWSA-N 1 0 282.362 3.718 50 0 CHAARO Clc1cccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000009722553 170384922 /nfs/dbraw/zinc/38/49/22/170384922.db2.gz PVHYGQMFJZLFIW-BETUJISGSA-N 1 0 280.824 3.844 50 0 CHAARO Cc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000013770027 170591088 /nfs/dbraw/zinc/59/10/88/170591088.db2.gz LJIMDCQFCWUPIF-UHFFFAOYSA-N 1 0 289.402 3.746 50 0 CHAARO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCCCCCC2)c1 ZINC000014915727 170648592 /nfs/dbraw/zinc/64/85/92/170648592.db2.gz AVDFAGFWISEQEH-INIZCTEOSA-N 1 0 288.435 3.897 50 0 CHAARO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)CCCC(C)(C)O)cc1 ZINC000019607286 170830529 /nfs/dbraw/zinc/83/05/29/170830529.db2.gz NCZBDISAGCYMDK-HOTGVXAUSA-N 1 0 277.452 3.845 50 0 CHAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)cc1 ZINC000019702291 170842308 /nfs/dbraw/zinc/84/23/08/170842308.db2.gz VFUYROFTDOIHPO-SFHVURJKSA-N 1 0 292.382 3.720 50 0 biogenic CHAARO COc1ccccc1CC[NH2+]Cc1ccccc1Cl ZINC000019787279 170865759 /nfs/dbraw/zinc/86/57/59/170865759.db2.gz HCGQPPVETQLWBN-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO Cc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)s1 ZINC000020123161 171004473 /nfs/dbraw/zinc/00/44/73/171004473.db2.gz CVRHOUDUEACLQT-OAHLLOKOSA-N 1 0 290.432 3.576 50 0 CHAARO C[C@@H]1C[NH+](CCCSc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000020167421 171040802 /nfs/dbraw/zinc/04/08/02/171040802.db2.gz DFVNXPWWTNMKPT-CHWSQXEVSA-N 1 0 299.867 3.931 50 0 CHAARO Cc1ccc(OCC2CC[NH2+]CC2)c(C(C)(C)C)c1 ZINC000020221689 171082910 /nfs/dbraw/zinc/08/29/10/171082910.db2.gz BLNYVYGKGOIRNQ-UHFFFAOYSA-N 1 0 261.409 3.671 50 0 CHAARO FC(F)(F)Oc1ccc([C@@H]2[NH2+]CCc3sccc32)cc1 ZINC000020390592 171179456 /nfs/dbraw/zinc/17/94/56/171179456.db2.gz HTPMFEFHLOIZKI-ZDUSSCGKSA-N 1 0 299.317 3.882 50 0 CHAARO CC[C@H](C[N@@H+]1CCN(C(C)C)[C@@H](C)C1)c1ccccc1 ZINC000020406414 171182428 /nfs/dbraw/zinc/18/24/28/171182428.db2.gz IXGWCVFXOJNZBA-DLBZAZTESA-N 1 0 274.452 3.595 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000025313241 171454024 /nfs/dbraw/zinc/45/40/24/171454024.db2.gz HAKRYOXOWKFMBE-YVEFUNNKSA-N 1 0 298.386 3.651 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257775 172088778 /nfs/dbraw/zinc/08/87/78/172088778.db2.gz CLNWRRSKWPLHBE-WDEREUQCSA-N 1 0 276.302 3.502 50 0 CHAARO CC[NH+](CC)Cc1cncc(-c2cccc(OC)c2)c1 ZINC000037279011 173088407 /nfs/dbraw/zinc/08/84/07/173088407.db2.gz RHKBSOIJWFUSEW-UHFFFAOYSA-N 1 0 270.376 3.599 50 0 CHAARO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000038095376 174108643 /nfs/dbraw/zinc/10/86/43/174108643.db2.gz STZUTWBLZGEWQO-SMDDNHRTSA-N 1 0 298.224 3.669 50 0 CHAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccccc1F ZINC000040516507 174306869 /nfs/dbraw/zinc/30/68/69/174306869.db2.gz QUCZNVKPKOBSNT-UHFFFAOYSA-N 1 0 298.361 3.674 50 0 CHAARO CC[C@@H](C)c1cc(Cl)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042771128 174871081 /nfs/dbraw/zinc/87/10/81/174871081.db2.gz QZAHRHHMKIMSBB-NEPJUHHUSA-N 1 0 267.800 3.842 50 0 CHAARO CC[C@@H](C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042770842 174871193 /nfs/dbraw/zinc/87/11/93/174871193.db2.gz NVBHDMFJYNJPOP-NEPJUHHUSA-N 1 0 267.800 3.842 50 0 CHAARO Clc1ccc(OCC[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000042771402 174871460 /nfs/dbraw/zinc/87/14/60/174871460.db2.gz RZMOMANRSIVTTM-LBPRGKRZSA-N 1 0 290.794 3.657 50 0 CHAARO Cc1cc(OCC[C@H]2CCC[NH2+]C2)ccc1C(C)C ZINC000042773553 174872362 /nfs/dbraw/zinc/87/23/62/174872362.db2.gz SBHYWGQUQVYITJ-OAHLLOKOSA-N 1 0 261.409 3.887 50 0 CHAARO CC[C@H](C[NH3+])Sc1cc(Cl)ccc1Cl ZINC000043542453 175063959 /nfs/dbraw/zinc/06/39/59/175063959.db2.gz IHAUJYFNOFHEBN-MRVPVSSYSA-N 1 0 250.194 3.823 50 0 CHAARO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000049801345 175499761 /nfs/dbraw/zinc/49/97/61/175499761.db2.gz QSJYAJPMGBWTRM-KRWDZBQOSA-N 1 0 275.436 3.721 50 0 CHAARO C[C@H](c1ccc(-c2cncnc2)cc1)[NH+]1CCCCC1 ZINC000065371692 175723519 /nfs/dbraw/zinc/72/35/19/175723519.db2.gz AHNPDISPFZRKKQ-CQSZACIVSA-N 1 0 267.376 3.691 50 0 CHAARO c1[nH]c(CC2CCCC2)nc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000071756852 176260584 /nfs/dbraw/zinc/26/05/84/176260584.db2.gz BSZNJFMVLTUQCS-IYBDPMFKSA-N 1 0 285.435 3.540 50 0 CHAARO C[C@H]([NH2+]Cc1ccc(CO)o1)c1ccc2c(c1)CCCC2 ZINC000071915084 176298463 /nfs/dbraw/zinc/29/84/63/176298463.db2.gz BXNHFDPJALZNFU-ZDUSSCGKSA-N 1 0 285.387 3.502 50 0 CHAARO CC(C)[N@@H+]1CCC[C@H](Cc2ccnc(Cl)c2)CC1 ZINC000072343843 176372004 /nfs/dbraw/zinc/37/20/04/176372004.db2.gz LBEJKSLNZLPGAT-ZDUSSCGKSA-N 1 0 266.816 3.788 50 0 CHAARO Fc1ccc(N2CC[C@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000076354827 176998402 /nfs/dbraw/zinc/99/84/02/176998402.db2.gz APFAZYWVQOPFRS-CQSZACIVSA-N 1 0 276.399 3.574 50 0 CHAARO Cc1[nH]c2ccccc2c1[C@H](C[NH3+])c1ccc(C)cc1 ZINC000076680241 177058119 /nfs/dbraw/zinc/05/81/19/177058119.db2.gz OZYZEWHWSRNBHE-MRXNPFEDSA-N 1 0 264.372 3.875 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000007787488 260028048 /nfs/dbraw/zinc/02/80/48/260028048.db2.gz PREZGGBBSHVXGJ-JSGCOSHPSA-N 1 0 284.403 3.779 50 0 CHAARO Cc1nccn1CC[C@@H](C)[NH2+]C1(Cc2cccc(C)c2)CC1 ZINC000534651046 328337191 /nfs/dbraw/zinc/33/71/91/328337191.db2.gz XTEWVCQTOHGWEA-MRXNPFEDSA-N 1 0 297.446 3.643 50 0 CHAARO Cc1ccccc1N1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000534661901 328349821 /nfs/dbraw/zinc/34/98/21/328349821.db2.gz NGNLANXPJMIQIU-INIZCTEOSA-N 1 0 295.430 3.710 50 0 CHAARO Clc1cc(Br)ccc1C[NH2+]CC1CC1 ZINC000037927798 329273168 /nfs/dbraw/zinc/27/31/68/329273168.db2.gz OWEKISQKIJOGAK-UHFFFAOYSA-N 1 0 274.589 3.602 50 0 CHAARO c1cc2c(ccnc2NCC[NH2+]C2CCCCCC2)o1 ZINC000232450351 333337049 /nfs/dbraw/zinc/33/70/49/333337049.db2.gz DCIRYOKNAHZOIN-UHFFFAOYSA-N 1 0 273.380 3.552 50 0 CHAARO CCC1(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)CCC1 ZINC000084056839 334269622 /nfs/dbraw/zinc/26/96/22/334269622.db2.gz QHZBQKKJGSFQNT-UHFFFAOYSA-N 1 0 273.380 3.648 50 0 CHAARO Clc1cccc([C@H]2CC[N@H+](Cc3cncs3)C2)c1 ZINC000552316869 334316204 /nfs/dbraw/zinc/31/62/04/334316204.db2.gz QDIABWZTWPNLHA-LBPRGKRZSA-N 1 0 278.808 3.786 50 0 CHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C(C)C)CC2)o1 ZINC000175802648 335204532 /nfs/dbraw/zinc/20/45/32/335204532.db2.gz BYJHMRCKLHHDGJ-UHFFFAOYSA-N 1 0 273.380 3.504 50 0 CHAARO C[C@H]([NH2+]C1CCSCC1)c1cccc(N2CCCC2)c1 ZINC000096479261 533811815 /nfs/dbraw/zinc/81/18/15/533811815.db2.gz XEXCYCCZASUCCH-AWEZNQCLSA-N 1 0 290.476 3.833 50 0 CHAARO Cc1cnc([C@@H](C)[NH2+][C@H](C)Cc2ccsc2)s1 ZINC000096479078 534622301 /nfs/dbraw/zinc/62/23/01/534622301.db2.gz GYLBFPCIJHFZGC-MWLCHTKSSA-N 1 0 266.435 3.795 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000252512921 524047376 /nfs/dbraw/zinc/04/73/76/524047376.db2.gz WTRTZUAMIRKDFU-VBQJREDUSA-N 1 0 261.409 3.715 50 0 CHAARO Cc1nc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)oc1C ZINC000247916431 526873024 /nfs/dbraw/zinc/87/30/24/526873024.db2.gz MOXMIWMXQQWZPD-ABAIWWIYSA-N 1 0 288.366 3.809 50 0 CHAARO CC(C)[NH+](Cc1csc([C@H]2CCCO2)n1)C(C)C ZINC000097048561 567903540 /nfs/dbraw/zinc/90/35/40/567903540.db2.gz IVEJFXRDRGRWNZ-CYBMUJFWSA-N 1 0 268.426 3.613 50 0 CHAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H]([NH3+])CC[C@]34C)[C@H]1CC[C@H]2O ZINC000004027500 566855417 /nfs/dbraw/zinc/85/54/17/566855417.db2.gz WMEBIWWUBWHAOJ-QFIIDBSYSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO C[C@@H](c1cccc(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093952499 566883094 /nfs/dbraw/zinc/88/30/94/566883094.db2.gz OXRRHZUMZJTZFD-XJKSGUPXSA-N 1 0 278.827 3.571 50 0 CHAARO FC(F)(F)CC[N@H+](Cc1cccnc1)C1CCCC1 ZINC000084425047 566883584 /nfs/dbraw/zinc/88/35/84/566883584.db2.gz JDXLDFDRZOOJNF-UHFFFAOYSA-N 1 0 272.314 3.779 50 0 CHAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)C12CCCCC2 ZINC000075092252 566935108 /nfs/dbraw/zinc/93/51/08/566935108.db2.gz IIRGZAREOFZPFD-IAGOWNOFSA-N 1 0 289.419 3.610 50 0 CHAARO Cc1ccc2oc(N3CC[N@@H+](C)CC34CCCCC4)nc2c1 ZINC000075103610 566935119 /nfs/dbraw/zinc/93/51/19/566935119.db2.gz RELJZPDDLAQLBV-UHFFFAOYSA-N 1 0 299.418 3.591 50 0 CHAARO Cc1ccccc1[C@@H]1[C@@H](C)CCC[C@@H]1OCC[NH+](C)C ZINC000075273153 566940009 /nfs/dbraw/zinc/94/00/09/566940009.db2.gz MBPBUYNCPNBLHG-SZMVWBNQSA-N 1 0 275.436 3.845 50 0 CHAARO CCc1ccc(OCCCC[NH2+]Cc2ccco2)cc1 ZINC000075284368 566940979 /nfs/dbraw/zinc/94/09/79/566940979.db2.gz QNQAHGQOMTXTHL-UHFFFAOYSA-N 1 0 273.376 3.791 50 0 CHAARO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)[nH]n1 ZINC000090532035 566952496 /nfs/dbraw/zinc/95/24/96/566952496.db2.gz KEFRMYALNWOVLA-YPMHNXCESA-N 1 0 283.375 3.746 50 0 CHAARO C[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000239305971 566965890 /nfs/dbraw/zinc/96/58/90/566965890.db2.gz GGCLDJYYOISOSI-BUSDAAPNSA-N 1 0 281.399 3.705 50 0 CHAARO Fc1cc2ncn(C[N@H+](C3CC3)C3CCCC3)c2cc1F ZINC000075666852 566975499 /nfs/dbraw/zinc/97/54/99/566975499.db2.gz QIQJJADUHVYBMD-UHFFFAOYSA-N 1 0 291.345 3.679 50 0 CHAARO Cn1cc(-c2ccc(-c3ccc4c(n3)NCCC4)cc2)cn1 ZINC000426397626 566987548 /nfs/dbraw/zinc/98/75/48/566987548.db2.gz SRXBVLBTDYNNRA-UHFFFAOYSA-N 1 0 290.370 3.507 50 0 CHAARO CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000036098652 566994835 /nfs/dbraw/zinc/99/48/35/566994835.db2.gz CWFMGLCMPNSLFA-QGZVFWFLSA-N 1 0 287.403 3.751 50 0 CHAARO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000170087971 567005321 /nfs/dbraw/zinc/00/53/21/567005321.db2.gz KNGOHSBEJFSJGH-UWVGGRQHSA-N 1 0 293.354 3.812 50 0 CHAARO Cc1sc([C@@H]2CCC[NH2+]2)nc1-c1cc(F)ccc1F ZINC000170091428 567005450 /nfs/dbraw/zinc/00/54/50/567005450.db2.gz PALMWRXWPLTSNV-LBPRGKRZSA-N 1 0 280.343 3.821 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000065464965 567007947 /nfs/dbraw/zinc/00/79/47/567007947.db2.gz OKBGTLFXEGZDDT-ZDUSSCGKSA-N 1 0 263.410 3.657 50 0 CHAARO CC[C@@H]1CC[N@H+](CCCc2nc3ccccc3o2)[C@@H]1C ZINC000170599723 567011692 /nfs/dbraw/zinc/01/16/92/567011692.db2.gz MLEANKHUJMHCKQ-ZIAGYGMSSA-N 1 0 272.392 3.881 50 0 CHAARO CC[C@@H]([NH2+]Cc1cccnc1)c1ccc(OC(F)F)cc1 ZINC000089947821 567029622 /nfs/dbraw/zinc/02/96/22/567029622.db2.gz LEKLIHAZYSBIDE-OAHLLOKOSA-N 1 0 292.329 3.924 50 0 CHAARO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2F)C1 ZINC000076093252 567029882 /nfs/dbraw/zinc/02/98/82/567029882.db2.gz DVFKFQVQRKBJBX-SFHVURJKSA-N 1 0 298.405 3.532 50 0 CHAARO C[C@H]([NH2+]CC1=CCCOC1)c1ccc2ccccc2c1 ZINC000089905138 567030549 /nfs/dbraw/zinc/03/05/49/567030549.db2.gz IJJCDVHNYZAXLG-AWEZNQCLSA-N 1 0 267.372 3.837 50 0 CHAARO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccco1 ZINC000090044588 567033693 /nfs/dbraw/zinc/03/36/93/567033693.db2.gz GIAKNMDXUVVXDW-GFCCVEGCSA-N 1 0 299.399 3.691 50 0 CHAARO c1coc(C[NH2+][C@H]2CCCSc3ccccc32)c1 ZINC000095419188 567039297 /nfs/dbraw/zinc/03/92/97/567039297.db2.gz SPERLRJDECKECP-AWEZNQCLSA-N 1 0 259.374 3.996 50 0 CHAARO Clc1cnccc1N1CCC[C@@H](c2nccs2)C1 ZINC000095994718 567041601 /nfs/dbraw/zinc/04/16/01/567041601.db2.gz XQOZLYZJIQQUIV-SNVBAGLBSA-N 1 0 279.796 3.576 50 0 CHAARO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000252486917 567058169 /nfs/dbraw/zinc/05/81/69/567058169.db2.gz OJLYCWOBLDGNPS-MXASKKJJSA-N 1 0 259.393 3.542 50 0 CHAARO CCc1ccc2oc(=O)cc(C[N@@H+]3CCCC[C@H]3C)c2c1 ZINC000002352811 567103197 /nfs/dbraw/zinc/10/31/97/567103197.db2.gz CJDJHMYQTVCDAS-CYBMUJFWSA-N 1 0 285.387 3.730 50 0 biogenic CHAARO CCCCc1ccc(NC(=O)[C@H](CC)[NH2+]C(C)C)cc1 ZINC000328592590 567119412 /nfs/dbraw/zinc/11/94/12/567119412.db2.gz LJOYBNBZDJIGPL-INIZCTEOSA-N 1 0 276.424 3.744 50 0 CHAARO C[C@H]1CC2=C(C[C@@H]1C[NH+]1CCN(C)CC1)C(C)(C)CCC2 ZINC000019703374 567123191 /nfs/dbraw/zinc/12/31/91/567123191.db2.gz DNZOJJXQVWDKTC-DOTOQJQBSA-N 1 0 290.495 3.787 50 0 biogenic CHAARO Cc1cccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000019832133 567123516 /nfs/dbraw/zinc/12/35/16/567123516.db2.gz ANALMXREFYDTJG-UHFFFAOYSA-N 1 0 294.442 3.621 50 0 CHAARO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccccc1Cl ZINC000095389743 567128124 /nfs/dbraw/zinc/12/81/24/567128124.db2.gz PVWOAYIOLDHXGL-QWHCGFSZSA-N 1 0 295.810 3.676 50 0 CHAARO C[C@H]([NH2+]Cc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000095419221 567131776 /nfs/dbraw/zinc/13/17/76/567131776.db2.gz NHHYBIQVKLMCNC-ZDUSSCGKSA-N 1 0 294.398 3.767 50 0 CHAARO C[C@H]([NH2+]Cc1ccnc(OCC2CC2)c1)c1cccs1 ZINC000095422228 567132071 /nfs/dbraw/zinc/13/20/71/567132071.db2.gz VIWFZMRNWQGUKM-LBPRGKRZSA-N 1 0 288.416 3.783 50 0 CHAARO C[C@@H]1CCCN(Cc2cc(N3CCC[C@H](C)C3)cc[nH+]2)C1 ZINC000095446879 567134588 /nfs/dbraw/zinc/13/45/88/567134588.db2.gz ZTKMJXOZSKARBH-CVEARBPZSA-N 1 0 287.451 3.550 50 0 CHAARO C[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000095460379 567134795 /nfs/dbraw/zinc/13/47/95/567134795.db2.gz OHPNIQDMLSLDPM-LIRRHRJNSA-N 1 0 284.447 3.526 50 0 CHAARO OC1CC[NH+](C2(c3cccc(Cl)c3)CCCCC2)CC1 ZINC000096027268 567138555 /nfs/dbraw/zinc/13/85/55/567138555.db2.gz UXGUXJRVNBNQHZ-UHFFFAOYSA-N 1 0 293.838 3.956 50 0 CHAARO C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCCC1 ZINC000027988375 567146298 /nfs/dbraw/zinc/14/62/98/567146298.db2.gz AKQVDWQQRKYCOZ-IILDEKEXSA-N 1 0 275.436 3.646 50 0 CHAARO CC[NH+](CC)CC(=O)Nc1c(C)cc(Cl)cc1Cl ZINC000670421061 567153358 /nfs/dbraw/zinc/15/33/58/567153358.db2.gz BMVNNSGGELCSJB-UHFFFAOYSA-N 1 0 289.206 3.582 50 0 CHAARO CN(Cc1cc(C2CC2)on1)Cc1cccc2cccnc21 ZINC000670446027 567176320 /nfs/dbraw/zinc/17/63/20/567176320.db2.gz PCKRFBXXBLNVSO-UHFFFAOYSA-N 1 0 293.370 3.732 50 0 CHAARO CCCOC[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000670446924 567178729 /nfs/dbraw/zinc/17/87/29/567178729.db2.gz CJBBQAGCMCAOBX-LBPRGKRZSA-N 1 0 285.790 3.728 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000000176525 567821829 /nfs/dbraw/zinc/82/18/29/567821829.db2.gz MHSVFLHMGULLSY-BETUJISGSA-N 1 0 294.826 3.647 50 0 CHAARO Fc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000207664 567822172 /nfs/dbraw/zinc/82/21/72/567822172.db2.gz PKGIIVXLSMUQAR-UHFFFAOYSA-N 1 0 290.426 3.666 50 0 CHAARO Cc1ccc2c(c1)sc[n+]2Cc1cccc(F)c1 ZINC000000272436 567823659 /nfs/dbraw/zinc/82/36/59/567823659.db2.gz FGCKOHMBXSFSMO-UHFFFAOYSA-N 1 0 258.341 3.685 50 0 CHAARO COc1ccc(C[N@H+](C)CCc2ccccc2)c(C)c1C ZINC000000278902 567823777 /nfs/dbraw/zinc/82/37/77/567823777.db2.gz UREIDOFYDODCEU-UHFFFAOYSA-N 1 0 283.415 3.987 50 0 CHAARO COc1ccccc1Sc1ccccc1C[NH+](C)C ZINC000000347786 567826373 /nfs/dbraw/zinc/82/63/73/567826373.db2.gz QIVHSFHRURYWPB-UHFFFAOYSA-N 1 0 273.401 3.908 50 0 CHAARO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000000394462 567828679 /nfs/dbraw/zinc/82/86/79/567828679.db2.gz VDJCVUDSODBHLN-UHFFFAOYSA-N 1 0 294.826 3.851 50 0 CHAARO O[C@]1(c2ccccc2)c2ccccc2[NH+]=C2CCCCCN21 ZINC000000482088 567832588 /nfs/dbraw/zinc/83/25/88/567832588.db2.gz HRVYRYGFPZSANZ-LJQANCHMSA-N 1 0 292.382 3.800 50 0 CHAARO CC(=O)O[C@]1(c2ccccc2)C[C@@H](C)C[N@@H+](C(C)(C)C)C1 ZINC000001056826 567836076 /nfs/dbraw/zinc/83/60/76/567836076.db2.gz CBBJQWWDAAESRN-RDTXWAMCSA-N 1 0 289.419 3.585 50 0 CHAARO C[N@@H+]1CCc2c3ccccc3[nH]c2Cc2ccccc2CC1 ZINC000001486281 567837695 /nfs/dbraw/zinc/83/76/95/567837695.db2.gz YEWGIGCYIAMFMA-UHFFFAOYSA-N 1 0 290.410 3.789 50 0 in-vivo CHAARO C1CCN([PH+](N2CCCCC2)N2CCCCC2)CC1 ZINC000001653804 567840382 /nfs/dbraw/zinc/84/03/82/567840382.db2.gz GEQBPMNDDHGGPJ-UHFFFAOYSA-N 1 0 283.400 3.671 50 0 CHAARO COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000001995743 567844045 /nfs/dbraw/zinc/84/40/45/567844045.db2.gz MBINHSDRJFYMHA-UHFFFAOYSA-N 1 0 280.371 3.509 50 0 CHAARO Cc1ccc([C@@H](OCC[NH+](C)C)c2ccccc2)cc1 ZINC000002020960 567844148 /nfs/dbraw/zinc/84/41/48/567844148.db2.gz PJUYQWIDNIAHIZ-SFHVURJKSA-N 1 0 269.388 3.663 50 0 in-vitro CHAARO Cc1ccc([C@](O)(CC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000002171721 567845207 /nfs/dbraw/zinc/84/52/07/567845207.db2.gz DOSVXKGIEYUDKJ-FQEVSTJZSA-N 1 0 295.426 3.717 50 0 CHAARO COc1ccc(C(=O)c2ccccc2C[NH+]2CCCC2)cc1 ZINC000002515547 567846757 /nfs/dbraw/zinc/84/67/57/567846757.db2.gz XDDLZEZPXRJSJS-UHFFFAOYSA-N 1 0 295.382 3.522 50 0 CHAARO C[N@H+](CCOC(=O)c1ccc(C(C)(C)C)cc1)C(C)(C)C ZINC000002926408 567850508 /nfs/dbraw/zinc/85/05/08/567850508.db2.gz SIGWPQVSUVHMSN-UHFFFAOYSA-N 1 0 291.435 3.871 50 0 CHAARO CCCC[NH2+]CCCOc1ccc2ccccc2c1 ZINC000002902184 567850734 /nfs/dbraw/zinc/85/07/34/567850734.db2.gz XIZNMAWAFKDPLN-UHFFFAOYSA-N 1 0 257.377 3.998 50 0 CHAARO CCCC[NH2+]CCOCCOc1ccccc1C(C)(C)C ZINC000002981007 567851074 /nfs/dbraw/zinc/85/10/74/567851074.db2.gz IWLKNXZDSPQRRF-UHFFFAOYSA-N 1 0 293.451 3.769 50 0 CHAARO COCCC[NH2+]CCCOc1cc(C)cc(C(C)C)c1 ZINC000003001901 567851285 /nfs/dbraw/zinc/85/12/85/567851285.db2.gz MJKRJIDZDNLBOV-UHFFFAOYSA-N 1 0 279.424 3.513 50 0 CHAARO CC[C@@H](C)c1ccccc1OCCC[NH2+]CCCOC ZINC000003002013 567851347 /nfs/dbraw/zinc/85/13/47/567851347.db2.gz DHSLGNDYQVIOTL-OAHLLOKOSA-N 1 0 279.424 3.595 50 0 CHAARO CCCOc1ccc(C(C)=O)cc1C[NH+](CC)CC ZINC000003187110 567852043 /nfs/dbraw/zinc/85/20/43/567852043.db2.gz DMIDGXFUQOQPLQ-UHFFFAOYSA-N 1 0 263.381 3.520 50 0 CHAARO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12 ZINC000003779249 567853502 /nfs/dbraw/zinc/85/35/02/567853502.db2.gz JCXOJXALBTZEFE-GFCCVEGCSA-N 1 0 293.208 3.567 50 0 in-vitro CHAARO C[C@@H]1C[N@H+](C2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000003683636 567853767 /nfs/dbraw/zinc/85/37/67/567853767.db2.gz OWBYPXYTTWMOTK-DGKWVBSXSA-N 1 0 253.430 3.701 50 0 CHAARO C[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000003886971 567854342 /nfs/dbraw/zinc/85/43/42/567854342.db2.gz HUUOWYZTEOSVSA-CQSZACIVSA-N 1 0 276.177 3.758 50 0 CHAARO CC(C)Oc1ccc([C@H](CC[NH3+])c2ccccc2)cc1 ZINC000004038450 567855125 /nfs/dbraw/zinc/85/51/25/567855125.db2.gz RPELLWPYGBNSOG-GOSISDBHSA-N 1 0 269.388 3.955 50 0 biogenic CHAARO CCC[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000004167791 567855625 /nfs/dbraw/zinc/85/56/25/567855625.db2.gz HYDMCDFIOVNGDG-UHFFFAOYSA-N 1 0 269.388 3.792 50 0 CHAARO Cc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)[N@H+](C)CC3 ZINC000004215661 567855860 /nfs/dbraw/zinc/85/58/60/567855860.db2.gz KBEZZLAAKIIPFK-NJAFHUGGSA-N 1 0 255.405 3.683 50 0 in-man CHAARO C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000004218917 567855927 /nfs/dbraw/zinc/85/59/27/567855927.db2.gz VJRYNAGIPGBFTF-UHFFFAOYSA-N 1 0 291.398 3.876 50 0 CHAARO CC[C@@H](C)C[N@H+]1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000216082541 567860976 /nfs/dbraw/zinc/86/09/76/567860976.db2.gz JHLFCHDHYLMVMS-HIFRSBDPSA-N 1 0 277.408 3.714 50 0 CHAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000013724892 567867466 /nfs/dbraw/zinc/86/74/66/567867466.db2.gz WAXNATWDNUXQAN-UHFFFAOYSA-N 1 0 271.788 3.635 50 0 CHAARO c1ccc2c(c1)cccc2OCC[C@H]1CCCC[NH2+]1 ZINC000014632342 567869545 /nfs/dbraw/zinc/86/95/45/567869545.db2.gz GBJFYVRQODIXHX-OAHLLOKOSA-N 1 0 255.361 3.751 50 0 CHAARO c1cc2cc(C[NH2+]CCc3ccccc3)ccc2[nH]1 ZINC000015424180 567870603 /nfs/dbraw/zinc/87/06/03/567870603.db2.gz QNMQDKKONVTKQI-UHFFFAOYSA-N 1 0 250.345 3.500 50 0 biogenic CHAARO Cc1cccc(OCC[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000019220085 567877537 /nfs/dbraw/zinc/87/75/37/567877537.db2.gz GGHNDQZFMWYFHL-SFHVURJKSA-N 1 0 282.387 3.606 50 0 CHAARO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@H]1C1CCCCC1 ZINC000019688797 567878525 /nfs/dbraw/zinc/87/85/25/567878525.db2.gz OUXYMBSSCUANTF-INIZCTEOSA-N 1 0 254.377 3.935 50 0 CHAARO CC1CCC([NH+]2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000019842502 567879047 /nfs/dbraw/zinc/87/90/47/567879047.db2.gz LRTGIPILKOYLJW-UHFFFAOYSA-N 1 0 290.426 3.522 50 0 CHAARO Cc1cccc(CN2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000019789419 567879208 /nfs/dbraw/zinc/87/92/08/567879208.db2.gz IGTMRLPIFIPTNL-UHFFFAOYSA-N 1 0 286.463 3.835 50 0 CHAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019900111 567879473 /nfs/dbraw/zinc/87/94/73/567879473.db2.gz ADQAWJJCVOTDOE-SQNIBIBYSA-N 1 0 276.468 3.539 50 0 CHAARO Cc1ccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000020118706 567880882 /nfs/dbraw/zinc/88/08/82/567880882.db2.gz BSCUWRHXLUUACY-IAGOWNOFSA-N 1 0 291.435 3.572 50 0 CHAARO COc1cc2c(cc1OC)C[N@H+](CC1CCCCC1)CC2 ZINC000023281953 567882128 /nfs/dbraw/zinc/88/21/28/567882128.db2.gz UHHFHXOKBCCZJZ-UHFFFAOYSA-N 1 0 289.419 3.642 50 0 CHAARO Cc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)s1 ZINC000072294577 567884963 /nfs/dbraw/zinc/88/49/63/567884963.db2.gz MFJNHXIQANQOGD-UHFFFAOYSA-N 1 0 278.446 3.682 50 0 CHAARO c1ccc2nc(N3CCC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000032587302 567886013 /nfs/dbraw/zinc/88/60/13/567886013.db2.gz VSYWZQBQWAEXLJ-MRXNPFEDSA-N 1 0 295.430 3.547 50 0 CHAARO C[C@H]1CC[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000214854 567887480 /nfs/dbraw/zinc/88/74/80/567887480.db2.gz ZRLLHUDFZDCCPR-BBRMVZONSA-N 1 0 278.827 3.651 50 0 CHAARO O[C@]12CCCC[C@H]1[C@@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000022018137 567887947 /nfs/dbraw/zinc/88/79/47/567887947.db2.gz BPSBHMXEIGURBC-ZNMIVQPWSA-N 1 0 299.336 3.661 50 0 CHAARO Fc1cccc(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000034938906 567889071 /nfs/dbraw/zinc/88/90/71/567889071.db2.gz FTCFYCSGHIGDAX-UHFFFAOYSA-N 1 0 294.167 3.878 50 0 CHAARO CC(C)c1[nH]c([C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000036874176 567889570 /nfs/dbraw/zinc/88/95/70/567889570.db2.gz HFUUCKOKFOFBNR-ZDUSSCGKSA-N 1 0 255.365 3.625 50 0 CHAARO Cc1cc(C(C)(C)C)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042774931 567891925 /nfs/dbraw/zinc/89/19/25/567891925.db2.gz HMURCQJHEBYPBB-AWEZNQCLSA-N 1 0 261.409 3.671 50 0 CHAARO CC[C@@H]1CCCC[N@@H+]1Cc1nc2cc(F)ccc2n1CC ZINC000060375377 567896713 /nfs/dbraw/zinc/89/67/13/567896713.db2.gz UBIVJYASTZKXLJ-CQSZACIVSA-N 1 0 289.398 3.960 50 0 CHAARO CC[NH+](CC)CCn1c2ccccc2c2c1CCCC2 ZINC000059842741 567896769 /nfs/dbraw/zinc/89/67/69/567896769.db2.gz DHAHOTFPLVDFOL-UHFFFAOYSA-N 1 0 270.420 3.862 50 0 CHAARO c1nc2c([nH]1)[C@H](c1cccc3c4ccccc4oc31)[NH2+]CC2 ZINC000065427997 567898857 /nfs/dbraw/zinc/89/88/57/567898857.db2.gz HASWYTPQUJNKBR-INIZCTEOSA-N 1 0 289.338 3.544 50 0 CHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000065394994 567899280 /nfs/dbraw/zinc/89/92/80/567899280.db2.gz CMZNZTFPNDDBFG-ZDUSSCGKSA-N 1 0 262.378 3.690 50 0 CHAARO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000065396090 567899299 /nfs/dbraw/zinc/89/92/99/567899299.db2.gz WLURVHJZCYHWKC-XYSGSMRZSA-N 1 0 295.430 3.699 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000065428281 567899344 /nfs/dbraw/zinc/89/93/44/567899344.db2.gz RSGQWUAJUMKKQW-UELRPHRMSA-N 1 0 256.349 3.771 50 0 CHAARO Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1cccs1 ZINC000065489695 567899578 /nfs/dbraw/zinc/89/95/78/567899578.db2.gz IAZABEFLNPNGRN-CYBMUJFWSA-N 1 0 260.406 3.515 50 0 CHAARO COc1ccc(-c2ccoc2)cc1C[NH2+]C1CCCC1 ZINC000067723136 567900013 /nfs/dbraw/zinc/90/00/13/567900013.db2.gz FSMAMVDVAVWOSH-UHFFFAOYSA-N 1 0 271.360 3.987 50 0 CHAARO Oc1cc(-c2csc3ccccc23)cc2c1OCC[NH2+]C2 ZINC000067589080 567900026 /nfs/dbraw/zinc/90/00/26/567900026.db2.gz GIKOLCXSCRAGJC-UHFFFAOYSA-N 1 0 297.379 3.756 50 0 CHAARO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000067724908 567900220 /nfs/dbraw/zinc/90/02/20/567900220.db2.gz BTRIJDPLCDTEHD-OAHLLOKOSA-N 1 0 283.346 3.675 50 0 CHAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ccccc2O)c1 ZINC000067541867 567900238 /nfs/dbraw/zinc/90/02/38/567900238.db2.gz UNWSBMVMSKTAGB-INIZCTEOSA-N 1 0 297.398 3.840 50 0 CHAARO COc1ccc(-c2ccc3c(c2)C[NH2+]CC3)c2cccnc12 ZINC000067724521 567900317 /nfs/dbraw/zinc/90/03/17/567900317.db2.gz DOXGCVRBKBXHLM-UHFFFAOYSA-N 1 0 290.366 3.556 50 0 CHAARO CC[C@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[C@@]1(C)O ZINC000067841286 567900717 /nfs/dbraw/zinc/90/07/17/567900717.db2.gz PTFNHGPEVSUAMV-KBXCAEBGSA-N 1 0 284.403 3.531 50 0 CHAARO C[C@H](c1cccc(-c2ccc3[nH]cnc3c2)c1)[NH+](C)C ZINC000067955014 567901138 /nfs/dbraw/zinc/90/11/38/567901138.db2.gz RYEVMGRASAMQJR-GFCCVEGCSA-N 1 0 265.360 3.853 50 0 CHAARO Cc1ccc2[nH]cc(-c3ccccc3CC[NH3+])c2c1 ZINC000067975050 567901247 /nfs/dbraw/zinc/90/12/47/567901247.db2.gz FFZFUQRAHBFYGD-UHFFFAOYSA-N 1 0 250.345 3.645 50 0 CHAARO c1cn(CC[NH+]2CCCC2)c(-c2cccc3ccccc32)n1 ZINC000071761548 567901647 /nfs/dbraw/zinc/90/16/47/567901647.db2.gz HDIGZQUJXQTDTD-UHFFFAOYSA-N 1 0 291.398 3.799 50 0 CHAARO Cc1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)ccn1 ZINC000071754061 567901863 /nfs/dbraw/zinc/90/18/63/567901863.db2.gz RGFZPNJHOIQTKC-SFHVURJKSA-N 1 0 296.414 3.837 50 0 CHAARO Fc1cccc([C@H]2CCCC[N@@H+]2Cc2ccccn2)c1 ZINC000072433159 567902400 /nfs/dbraw/zinc/90/24/00/567902400.db2.gz YYYGBWLBZKMUBP-QGZVFWFLSA-N 1 0 270.351 3.948 50 0 CHAARO Fc1cccc(OC[C@@H]2CCCN(c3cc[nH+]cc3)C2)c1 ZINC000077425635 567905243 /nfs/dbraw/zinc/90/52/43/567905243.db2.gz UWSPXUDICJSICI-CQSZACIVSA-N 1 0 286.350 3.516 50 0 CHAARO CCC[C@@H]1CN(Cc2[nH]c3ccccc3c2C)C[C@H]1[NH+](C)C ZINC000082107702 567906893 /nfs/dbraw/zinc/90/68/93/567906893.db2.gz QWRWWNVFMDJYQU-DNVCBOLYSA-N 1 0 299.462 3.638 50 0 CHAARO Cc1c(-c2cccc([C@H](C)[NH+](C)C)c2)cnn1C(F)F ZINC000096163025 567909863 /nfs/dbraw/zinc/90/98/63/567909863.db2.gz FILIEDMTBFLJOO-JTQLQIEISA-N 1 0 279.334 3.876 50 0 CHAARO COCCC[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000097514382 567910574 /nfs/dbraw/zinc/91/05/74/567910574.db2.gz OQJGDMNSZQTMKV-CYBMUJFWSA-N 1 0 283.362 3.603 50 0 CHAARO C[N@H+](Cc1cnccn1)Cc1ccccc1-c1ccccc1 ZINC000097675255 567910796 /nfs/dbraw/zinc/91/07/96/567910796.db2.gz CPUFHHIWYFBWOK-UHFFFAOYSA-N 1 0 289.382 3.776 50 0 CHAARO Cc1ccc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)nn1 ZINC000097572250 567910815 /nfs/dbraw/zinc/91/08/15/567910815.db2.gz GVFBJPKGLCKKBU-CQSZACIVSA-N 1 0 267.376 3.609 50 0 CHAARO Cc1ccc(C[N@H+](C)CCC[C@H]2CCCO2)c2cccnc12 ZINC000097574929 567911076 /nfs/dbraw/zinc/91/10/76/567911076.db2.gz QWGLLUPNNDEAQL-KRWDZBQOSA-N 1 0 298.430 3.934 50 0 CHAARO Cc1ccccc1[C@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000066969962 567930698 /nfs/dbraw/zinc/93/06/98/567930698.db2.gz LVDMCGZZABSJOS-AWEZNQCLSA-N 1 0 279.387 3.733 50 0 CHAARO Cc1cc(C[NH2+]C[C@@H](C)c2cccc(Cl)c2)on1 ZINC000188263451 567931483 /nfs/dbraw/zinc/93/14/83/567931483.db2.gz YKLVKIQTJVQJGZ-SNVBAGLBSA-N 1 0 264.756 3.530 50 0 CHAARO CCCOc1cc(C[NH+]2CCCCC2)cc(C(C)=O)c1 ZINC000002332843 567932178 /nfs/dbraw/zinc/93/21/78/567932178.db2.gz RDGDHEVIUDYPMN-UHFFFAOYSA-N 1 0 275.392 3.664 50 0 CHAARO C[N@H+](Cc1ccc(CO)o1)Cc1csc2ccccc12 ZINC000179989613 567933064 /nfs/dbraw/zinc/93/30/64/567933064.db2.gz XOUOAAOWLGLWPT-UHFFFAOYSA-N 1 0 287.384 3.619 50 0 CHAARO COc1ccccc1Sc1ccccc1C[C@@H](C)[NH3+] ZINC000000347792 567935996 /nfs/dbraw/zinc/93/59/96/567935996.db2.gz IZCVLFKUXSXJLR-GFCCVEGCSA-N 1 0 273.401 3.736 50 0 CHAARO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000103341100 567942838 /nfs/dbraw/zinc/94/28/38/567942838.db2.gz GPMFGOGUAMIBKO-AWEZNQCLSA-N 1 0 296.414 3.825 50 0 CHAARO Cc1nc(CNc2ccc(Cl)c(C[NH+](C)C)c2)cs1 ZINC000341512586 567944619 /nfs/dbraw/zinc/94/46/19/567944619.db2.gz OJJJRGHBBLRPOB-UHFFFAOYSA-N 1 0 295.839 3.779 50 0 CHAARO COc1ccccc1CC[NH2+]Cc1ccc(SC)cc1 ZINC000019720351 567944736 /nfs/dbraw/zinc/94/47/36/567944736.db2.gz NQFBWRTTXGVMTI-UHFFFAOYSA-N 1 0 287.428 3.749 50 0 CHAARO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2)c1 ZINC000019899544 567945017 /nfs/dbraw/zinc/94/50/17/567945017.db2.gz ONUASMHUAAZJGJ-ZDUSSCGKSA-N 1 0 271.360 3.555 50 0 CHAARO CC[C@@H]1CCC[C@@H]([NH2+][C@H](CC(=O)OC)c2cccs2)C1 ZINC000108081443 567946039 /nfs/dbraw/zinc/94/60/39/567946039.db2.gz ODYLXWLXXMGZFM-MGPQQGTHSA-N 1 0 295.448 3.911 50 0 CHAARO C[N@H+](CC[C@H]1CCCCO1)Cc1cccc2[nH]ccc21 ZINC000215854507 567947335 /nfs/dbraw/zinc/94/73/35/567947335.db2.gz AYZGVLTXPMJEMT-OAHLLOKOSA-N 1 0 272.392 3.559 50 0 CHAARO CC[N@H+](Cc1ccc2cc(O)ccc2c1)C1CCOCC1 ZINC000216320354 567947623 /nfs/dbraw/zinc/94/76/23/567947623.db2.gz CAYSDTLUCCSFLJ-UHFFFAOYSA-N 1 0 285.387 3.546 50 0 CHAARO CSCCC[N@@H+]1CCC[C@@H](c2ccccc2C)C1 ZINC000216266299 567947662 /nfs/dbraw/zinc/94/76/62/567947662.db2.gz COSBESRJNCUORV-OAHLLOKOSA-N 1 0 263.450 3.928 50 0 CHAARO c1cc2c(cccc2CN2CCCC[C@@H]2C[NH+]2CCCC2)[nH]1 ZINC000216365984 567947669 /nfs/dbraw/zinc/94/76/69/567947669.db2.gz ZTYWWDPSHUICPR-QGZVFWFLSA-N 1 0 297.446 3.618 50 0 CHAARO C[N@@H+](Cc1ccccc1Cl)C[C@H](O)c1ccccc1 ZINC000023280278 567948677 /nfs/dbraw/zinc/94/86/77/567948677.db2.gz VEUVRHMVUVVBFC-INIZCTEOSA-N 1 0 275.779 3.505 50 0 CHAARO CC[NH+](CC)Cc1ccc(C(=O)OC2(C3CC3)CC2)cc1 ZINC000225389088 567953177 /nfs/dbraw/zinc/95/31/77/567953177.db2.gz SNAGSSYTAJZGCM-UHFFFAOYSA-N 1 0 287.403 3.628 50 0 CHAARO CC(C)[C@@H](Cn1cccn1)[NH2+]CC(C)(C)Cc1ccccc1 ZINC000225409875 567953190 /nfs/dbraw/zinc/95/31/90/567953190.db2.gz PYNJDZAVPKXLDR-GOSISDBHSA-N 1 0 299.462 3.766 50 0 CHAARO c1ccc([C@@H](Cc2ccccn2)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000225585819 567954124 /nfs/dbraw/zinc/95/41/24/567954124.db2.gz HCSYVPMFZHCBQS-RBUKOAKNSA-N 1 0 294.398 3.648 50 0 CHAARO [NH3+][C@@H](c1ccncc1)c1ccc(OCc2ccccc2)cc1 ZINC000011832621 570220811 /nfs/dbraw/zinc/22/08/11/570220811.db2.gz KQHSVUCAUIYKQD-LJQANCHMSA-N 1 0 290.366 3.709 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000025313233 570230198 /nfs/dbraw/zinc/23/01/98/570230198.db2.gz HAKRYOXOWKFMBE-PXAZEXFGSA-N 1 0 298.386 3.651 50 0 CHAARO CC(C)c1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000025718883 570230830 /nfs/dbraw/zinc/23/08/30/570230830.db2.gz YHUMFBGWMJDPOI-LJQANCHMSA-N 1 0 283.415 3.975 50 0 CHAARO COc1cccc([C@@H]2[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000084238177 570253113 /nfs/dbraw/zinc/25/31/13/570253113.db2.gz IJEGNJDSCQSXES-SJORKVTESA-N 1 0 253.345 3.513 50 0 CHAARO COc1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1O ZINC000051188665 570286275 /nfs/dbraw/zinc/28/62/75/570286275.db2.gz DXKKATLOFJHMCR-UHFFFAOYSA-N 1 0 283.371 3.570 50 0 CHAARO CCC(CC)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019789049 570291785 /nfs/dbraw/zinc/29/17/85/570291785.db2.gz CHQPQCTWPUOFNP-UHFFFAOYSA-N 1 0 280.843 3.646 50 0 CHAARO CC[C@@H]([NH2+]Cc1cccc(OC)c1OC(F)F)C(C)C ZINC000049127565 570299831 /nfs/dbraw/zinc/29/98/31/570299831.db2.gz DCDGCZSIDYXJAY-GFCCVEGCSA-N 1 0 287.350 3.821 50 0 CHAARO CCc1ncc(C[N@@H+]2CCC[C@@H](c3cccc(C)c3)C2)cn1 ZINC000215177006 570302224 /nfs/dbraw/zinc/30/22/24/570302224.db2.gz XYDPYKPOWZPBCD-GOSISDBHSA-N 1 0 295.430 3.727 50 0 CHAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@@](C)(O)CC2)o1 ZINC000215128774 570302334 /nfs/dbraw/zinc/30/23/34/570302334.db2.gz APFZUJYVPMKFPL-LJQANCHMSA-N 1 0 299.414 3.992 50 0 CHAARO C[N@H+](CCC1(O)CCCC1)Cc1cc2ccccc2o1 ZINC000215453651 570303022 /nfs/dbraw/zinc/30/30/22/570303022.db2.gz VNDZFUKNYGCKRC-UHFFFAOYSA-N 1 0 273.376 3.560 50 0 CHAARO Cc1cccc([C@@H](OCC[NH+](C)C)c2ccccc2)c1 ZINC000000377874 570314023 /nfs/dbraw/zinc/31/40/23/570314023.db2.gz VSIVTUKDXUYWPL-SFHVURJKSA-N 1 0 269.388 3.663 50 0 CHAARO CCCO[C@H]1CCC[N@H+](Cc2cccs2)CC1 ZINC000093316933 570347001 /nfs/dbraw/zinc/34/70/01/570347001.db2.gz WGXQEIWBNKXTEP-ZDUSSCGKSA-N 1 0 253.411 3.529 50 0 CHAARO O=C(CC[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000000145614 570357243 /nfs/dbraw/zinc/35/72/43/570357243.db2.gz NVOKBQBPIVIAGG-UHFFFAOYSA-N 1 0 253.345 3.508 50 0 CHAARO COc1cccc(-c2oncc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000065288911 570361865 /nfs/dbraw/zinc/36/18/65/570361865.db2.gz PAOVLOBRBATQGV-CYBMUJFWSA-N 1 0 286.375 3.582 50 0 CHAARO c1cc2c(cc1[C@@H]1CCC[N@H+]1CC1CCCC1)OCCO2 ZINC000170621954 570363580 /nfs/dbraw/zinc/36/35/80/570363580.db2.gz BQNJAMOUAUKGJO-INIZCTEOSA-N 1 0 287.403 3.785 50 0 CHAARO CC1CC[NH+](CCCCOc2ccc(F)cc2)CC1 ZINC000002190768 570375214 /nfs/dbraw/zinc/37/52/14/570375214.db2.gz VYCMYYFJDHUVGH-UHFFFAOYSA-N 1 0 265.372 3.717 50 0 CHAARO Clc1cccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000000753463 570383223 /nfs/dbraw/zinc/38/32/23/570383223.db2.gz KFKMYTIGQRGQPI-OAHLLOKOSA-N 1 0 290.838 3.818 50 0 CHAARO Cc1nnc(CN(C/C=C\c2ccccc2)C(C)(C)C)o1 ZINC000222126535 1125775402 /nfs/dbraw/zinc/77/54/02/1125775402.db2.gz BQVRRSGKFKDJMS-FLIBITNWSA-N 1 0 285.391 3.692 50 0 CHAARO CC[NH+](CC)Cc1cc(Br)ccc1Cl ZINC000218024712 1131105909 /nfs/dbraw/zinc/10/59/09/1131105909.db2.gz XKUAHQDVTCMGNG-UHFFFAOYSA-N 1 0 276.605 3.944 50 0 CHAARO FC(F)(F)c1cc(NC2CC([NH+]3CCCCC3)C2)ccn1 ZINC000804681107 1118032048 /nfs/dbraw/zinc/03/20/48/1118032048.db2.gz AFWNVEDZHKKLAW-UHFFFAOYSA-N 1 0 299.340 3.529 50 0 CHAARO O[C@]12CCCC[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)[NH2+]CC2 ZINC000002472558 1118561502 /nfs/dbraw/zinc/56/15/02/1118561502.db2.gz SSBAEOONJVCWQK-KFWWJZLASA-N 1 0 299.336 3.661 50 0 CHAARO CO[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000091772370 1119411115 /nfs/dbraw/zinc/41/11/15/1119411115.db2.gz RIOOUPNZWBPADQ-CYBMUJFWSA-N 1 0 261.390 3.512 50 0 CHAARO Cc1coc(-c2cccc(N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)n1 ZINC000253370217 1120036718 /nfs/dbraw/zinc/03/67/18/1120036718.db2.gz NWIFTSMLJPWXKM-SUYBPPKGSA-N 1 0 299.418 3.791 50 0 CHAARO Cc1c[nH]nc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012241257 1120500184 /nfs/dbraw/zinc/50/01/84/1120500184.db2.gz WGGCWIRZQTYHCR-QGZVFWFLSA-N 1 0 283.419 3.530 50 0 CHAARO CC[NH+](CC)CCOc1c(C)cc(C)cc1Cl ZINC000005024248 1120951365 /nfs/dbraw/zinc/95/13/65/1120951365.db2.gz DNXHSEIBVKNNLO-UHFFFAOYSA-N 1 0 255.789 3.677 50 0 CHAARO CC(=O)c1ccc([C@@H]2c3ccccc3C[NH2+]C2(C)C)cc1O ZINC000039347034 1121122217 /nfs/dbraw/zinc/12/22/17/1121122217.db2.gz RBMULGNRLGMXEU-GOSISDBHSA-N 1 0 295.382 3.609 50 0 CHAARO Cc1noc(C)c1CN(C)[C@H](C)c1ccccc1F ZINC000052074266 1121645983 /nfs/dbraw/zinc/64/59/83/1121645983.db2.gz RNCCUJOJVXZVBC-LLVKDONJSA-N 1 0 262.328 3.624 50 0 CHAARO CCc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)on1 ZINC000252482219 1121652731 /nfs/dbraw/zinc/65/27/31/1121652731.db2.gz DAVCCPSYXSJDSQ-OAHLLOKOSA-N 1 0 274.364 3.947 50 0 CHAARO c1n[nH]cc1CC[N@H+](CCC1=CCCCC1)CC1CC1 ZINC000252481459 1121653123 /nfs/dbraw/zinc/65/31/23/1121653123.db2.gz CMLSMGYRZLPHTN-UHFFFAOYSA-N 1 0 273.424 3.555 50 0 CHAARO Cc1ccc(C(c2ccc(C)cc2)[N@@H+]2CCC[C@@H]2O)cc1 ZINC000142493031 1122441428 /nfs/dbraw/zinc/44/14/28/1122441428.db2.gz OJVQTPHTCZUEFO-SFHVURJKSA-N 1 0 281.399 3.807 50 0 CHAARO COc1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(C)c1 ZINC000215006922 1125425830 /nfs/dbraw/zinc/42/58/30/1125425830.db2.gz KNIBPKNEBGQKPR-UHFFFAOYSA-N 1 0 282.387 3.563 50 0 CHAARO Cc1cc2cc(NC(=O)[C@@H]3CCCCC[N@H+]3C)ccc2o1 ZINC000825151497 1129314383 /nfs/dbraw/zinc/31/43/83/1129314383.db2.gz GZLWTECISUJBIM-HNNXBMFYSA-N 1 0 286.375 3.554 50 0 CHAARO Cc1cnc(C2C[NH+](CC3CCCCC3)C2)n1CC1CC1 ZINC000581812880 1129625003 /nfs/dbraw/zinc/62/50/03/1129625003.db2.gz SGAWMPLGEASSCC-UHFFFAOYSA-N 1 0 287.451 3.581 50 0 CHAARO CC1=C(CC[N@@H+]2CCC[C@H](CO)C2)C(C)(C)CCC1 ZINC000000213820 1129736498 /nfs/dbraw/zinc/73/64/98/1129736498.db2.gz DEDIZRGGKALFSE-HNNXBMFYSA-N 1 0 265.441 3.607 50 0 CHAARO CCC1([NH2+]Cc2cc3c(cccc3O)s2)CCOCC1 ZINC000894415985 1129793104 /nfs/dbraw/zinc/79/31/04/1129793104.db2.gz UMOMRRRLNXSEEA-UHFFFAOYSA-N 1 0 291.416 3.656 50 0 CHAARO OCC[N@@H+](Cc1cccs1)C[C@H]1CC12CCCCC2 ZINC000019223555 1129845519 /nfs/dbraw/zinc/84/55/19/1129845519.db2.gz CEBDPERFGXPCCQ-CQSZACIVSA-N 1 0 279.449 3.513 50 0 CHAARO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CCOCC1 ZINC000096476912 230379907 /nfs/dbraw/zinc/37/99/07/230379907.db2.gz IYVDKSXCLRTKBS-SNVBAGLBSA-N 1 0 288.218 3.693 50 0 CHAARO CCC[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1[NH+](C)C ZINC000095512606 185001928 /nfs/dbraw/zinc/00/19/28/185001928.db2.gz APNLMZZIMWZFKQ-MLGOLLRUSA-N 1 0 298.833 3.641 50 0 CHAARO CCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000095562278 185009242 /nfs/dbraw/zinc/00/92/42/185009242.db2.gz RUIFDUVNEYPMGO-UHFFFAOYSA-N 1 0 262.328 3.556 50 0 CHAARO COc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)ccn1 ZINC000096009149 185063777 /nfs/dbraw/zinc/06/37/77/185063777.db2.gz DTYNBAGDRHLBMN-SJORKVTESA-N 1 0 296.414 3.762 50 0 CHAARO CC(C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000096033297 185067920 /nfs/dbraw/zinc/06/79/20/185067920.db2.gz XDAQUXTWTJEXIT-UHFFFAOYSA-N 1 0 262.578 3.601 50 0 CHAARO COc1cccnc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000096149803 185107588 /nfs/dbraw/zinc/10/75/88/185107588.db2.gz YUJLHKSXMBECEE-CQSZACIVSA-N 1 0 282.387 3.914 50 0 CHAARO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)o1 ZINC000097022805 185153815 /nfs/dbraw/zinc/15/38/15/185153815.db2.gz JHFUIFVJLHGYIY-WXHSDQCUSA-N 1 0 279.405 3.812 50 0 CHAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1ccc(OC(F)F)cc1 ZINC000347396130 529930730 /nfs/dbraw/zinc/93/07/30/529930730.db2.gz TWPAPTYCOJLKPD-AWEZNQCLSA-N 1 0 299.361 3.679 50 0 CHAARO C[N@H+](CC[C@H]1CCCCO1)Cc1ccc(OC(F)F)cc1 ZINC000347396131 529931892 /nfs/dbraw/zinc/93/18/92/529931892.db2.gz TWPAPTYCOJLKPD-CQSZACIVSA-N 1 0 299.361 3.679 50 0 CHAARO CC[C@H](C)[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000181308384 189293234 /nfs/dbraw/zinc/29/32/34/189293234.db2.gz VTNLXFTVCDXWHM-DTWKUNHWSA-N 1 0 277.334 3.511 50 0 CHAARO O=[N+]1C(c2cc3ccccc3o2)=CN(O)[C@H]2CCCC[C@@H]21 ZINC000334157212 206120557 /nfs/dbraw/zinc/12/05/57/206120557.db2.gz UABKPNBWBBZDMR-STQMWFEESA-N 1 0 285.323 3.526 50 0 CHAARO CCCC[N@@H+]1CC[C@](OC(=O)CC)(c2ccccc2)[C@H]1C ZINC000255982137 189999153 /nfs/dbraw/zinc/99/91/53/189999153.db2.gz JWNRFLRVCDPGEC-CRAIPNDOSA-N 1 0 289.419 3.729 50 0 CHAARO OC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000000215275 169578056 /nfs/dbraw/zinc/57/80/56/169578056.db2.gz OBSMXOMTTVWPPX-QGZVFWFLSA-N 1 0 281.399 3.558 50 0 CHAARO COC(CC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000000317908 169607026 /nfs/dbraw/zinc/60/70/26/169607026.db2.gz DKZKNEZEUIHBKX-UHFFFAOYSA-N 1 0 269.388 3.528 50 0 CHAARO CC[NH+](CC)C[C@@H](O)c1ccc(C2CCCC2)cc1 ZINC000000347578 169613860 /nfs/dbraw/zinc/61/38/60/169613860.db2.gz OTUPOONJCYPSTC-QGZVFWFLSA-N 1 0 261.409 3.719 50 0 CHAARO O[C@H](c1ccccc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000000346114 169612691 /nfs/dbraw/zinc/61/26/91/169612691.db2.gz PVXJJESJYYEWMJ-RTBURBONSA-N 1 0 281.399 3.600 50 0 CHAARO CC(C)Oc1ccc([C@@H](CC[NH3+])c2ccccc2)cc1 ZINC000004038446 184530260 /nfs/dbraw/zinc/53/02/60/184530260.db2.gz RPELLWPYGBNSOG-SFHVURJKSA-N 1 0 269.388 3.955 50 0 biogenic CHAARO [NH2+]=c1ccn(CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000484697 169653706 /nfs/dbraw/zinc/65/37/06/169653706.db2.gz YGECTRZNKKYOAY-UHFFFAOYSA-N 1 0 288.350 3.517 50 0 CHAARO CNc1nc(C)cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n1 ZINC000097805712 533079464 /nfs/dbraw/zinc/07/94/64/533079464.db2.gz NDWXBPBJFOIOTJ-CQSZACIVSA-N 1 0 296.418 3.651 50 0 CHAARO Cc1nc(CC[C@H](C)[NH+]2CCCC2)n(C2CCCCC2)n1 ZINC000096161985 256778700 /nfs/dbraw/zinc/77/87/00/256778700.db2.gz FMGKFSIWIYJLOY-AWEZNQCLSA-N 1 0 290.455 3.509 50 0 CHAARO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CCc1cccnc1 ZINC000095420051 184975762 /nfs/dbraw/zinc/97/57/62/184975762.db2.gz YTFXKFQNMDPSCS-QGZVFWFLSA-N 1 0 294.398 3.660 50 0 CHAARO c1ccc(N2CCC([NH2+]CC3CCCCCC3)CC2)nc1 ZINC000072298295 134486873 /nfs/dbraw/zinc/48/68/73/134486873.db2.gz QWESHYHMSIMVKK-UHFFFAOYSA-N 1 0 287.451 3.610 50 0 CHAARO Cc1c(CCC[NH3+])c2ccccc2n1Cc1ccccc1 ZINC000002489377 169794854 /nfs/dbraw/zinc/79/48/54/169794854.db2.gz PCEYCCBMVCRENL-UHFFFAOYSA-N 1 0 278.399 3.889 50 0 CHAARO CC(C)(C)[NH2+]CCOc1cccc(Cl)c1Cl ZINC000002490269 169795042 /nfs/dbraw/zinc/79/50/42/169795042.db2.gz FKZRITVRLKRVAE-UHFFFAOYSA-N 1 0 262.180 3.760 50 0 CHAARO CCC[NH2+]Cc1cc(OCC)c(OCC)cc1Cl ZINC000002884243 169841054 /nfs/dbraw/zinc/84/10/54/169841054.db2.gz JSJVWJVYGRVNCD-UHFFFAOYSA-N 1 0 271.788 3.637 50 0 CHAARO CC[C@H](C)c1ccccc1OCCOCC[NH+](CC)CC ZINC000003001181 169848957 /nfs/dbraw/zinc/84/89/57/169848957.db2.gz OAAWKWASGYIDHA-INIZCTEOSA-N 1 0 293.451 3.937 50 0 CHAARO C[C@@H]([NH2+]Cc1ccccn1)C12CC3CC(CC(C3)C1)C2 ZINC000004935079 170042161 /nfs/dbraw/zinc/04/21/61/170042161.db2.gz OEWQNQVEKGVCBE-ZZFFKQLHSA-N 1 0 270.420 3.776 50 0 CHAARO c1cc(-c2ccccc2)oc1C[NH2+]Cc1ccncc1 ZINC000004942844 170043088 /nfs/dbraw/zinc/04/30/88/170043088.db2.gz KGEXTLFGHDYOMC-UHFFFAOYSA-N 1 0 264.328 3.631 50 0 CHAARO CCn1c2ccccc2c2cc(C[NH2+]CCOC)ccc21 ZINC000004942803 170043286 /nfs/dbraw/zinc/04/32/86/170043286.db2.gz XBZAJIXWRSAHFP-UHFFFAOYSA-N 1 0 282.387 3.550 50 0 CHAARO CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000004942901 170043458 /nfs/dbraw/zinc/04/34/58/170043458.db2.gz ZYLINLROTHVONI-UHFFFAOYSA-N 1 0 280.165 3.819 50 0 CHAARO CCOc1ccc(Br)cc1C[NH+](CC)CC ZINC000004981528 170048553 /nfs/dbraw/zinc/04/85/53/170048553.db2.gz DOMRRMQOEDFLKU-UHFFFAOYSA-N 1 0 286.213 3.690 50 0 CHAARO CC[N@H+](Cc1ccccc1)Cc1cc(OC)cc(OC)c1 ZINC000004989069 170049914 /nfs/dbraw/zinc/04/99/14/170049914.db2.gz BSQNOQLVXXULDR-UHFFFAOYSA-N 1 0 285.387 3.726 50 0 CHAARO c1ccc(C(C[NH2+]C[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000004992644 170051033 /nfs/dbraw/zinc/05/10/33/170051033.db2.gz PFYGZRURHRYWBG-SFHVURJKSA-N 1 0 281.399 3.587 50 0 CHAARO COc1ccc(OCCC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000005013505 170055330 /nfs/dbraw/zinc/05/53/30/170055330.db2.gz CJZJFYUPSOMPHQ-HDMKZQKVSA-N 1 0 291.435 3.878 50 0 CHAARO Cc1cc(Cl)cc(Cl)c1OCC[NH+]1CCCC1 ZINC000005024134 170057167 /nfs/dbraw/zinc/05/71/67/170057167.db2.gz BOBFSPSKINMQGD-UHFFFAOYSA-N 1 0 274.191 3.776 50 0 CHAARO CC[NH+](CC)CCSc1ccc(-c2ccccc2)nn1 ZINC000005410516 170095197 /nfs/dbraw/zinc/09/51/97/170095197.db2.gz KQMANHLTJYUAAK-UHFFFAOYSA-N 1 0 287.432 3.578 50 0 CHAARO Cc1ccc2[nH]cc(C(=O)C[N@H+]3C[C@H](C)C[C@H](C)C3)c2c1 ZINC000005562913 170113891 /nfs/dbraw/zinc/11/38/91/170113891.db2.gz HNRFCWZHAGGJBO-OKILXGFUSA-N 1 0 284.403 3.637 50 0 CHAARO OC[C@@H]1CCC[N@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000005775259 170139666 /nfs/dbraw/zinc/13/96/66/170139666.db2.gz OSJBIUWOUITRHG-FUHWJXTLSA-N 1 0 273.420 3.765 50 0 CHAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccc(F)cc1F ZINC000006609400 170218795 /nfs/dbraw/zinc/21/87/95/170218795.db2.gz VEJUQNQZNDXXDT-UHFFFAOYSA-N 1 0 299.324 3.977 50 0 CHAARO NC(=[NH2+])SCCSc1cc(Cl)ccc1Cl ZINC000006881320 170252083 /nfs/dbraw/zinc/25/20/83/170252083.db2.gz OPLDORDWIZMGSB-UHFFFAOYSA-N 1 0 281.233 3.712 50 0 CHAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCCCCC1 ZINC000007339507 170277951 /nfs/dbraw/zinc/27/79/51/170277951.db2.gz OLYBVEMMSRDXDJ-CYBMUJFWSA-N 1 0 270.376 3.615 50 0 CHAARO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000008324719 170331287 /nfs/dbraw/zinc/33/12/87/170331287.db2.gz SIHDTZGLXNRBNZ-AWEZNQCLSA-N 1 0 285.387 3.945 50 0 CHAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008579176 170341967 /nfs/dbraw/zinc/34/19/67/170341967.db2.gz UKCSBMUWCSUAGT-UHFFFAOYSA-N 1 0 272.392 3.789 50 0 CHAARO Cc1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008700834 170346902 /nfs/dbraw/zinc/34/69/02/170346902.db2.gz FUFZRSBQYMMXIF-UHFFFAOYSA-N 1 0 270.376 3.543 50 0 biogenic CHAARO Cc1ccc2c(=O)c(C[NH+]3CCCCC3)c(C)[nH]c2c1C ZINC000008714065 170348467 /nfs/dbraw/zinc/34/84/67/170348467.db2.gz LYNPSTTZIHJMMN-UHFFFAOYSA-N 1 0 284.403 3.852 50 0 CHAARO CC(C)c1ccc(OCCCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000008753012 170354230 /nfs/dbraw/zinc/35/42/30/170354230.db2.gz SCAVDWSAPZLLID-SFHVURJKSA-N 1 0 291.435 3.738 50 0 CHAARO CCn1cc(/C=C\c2cc[n+](C)cc2)c2cc(C)ccc21 ZINC000008997638 170361217 /nfs/dbraw/zinc/36/12/17/170361217.db2.gz XBBOTWVHRLBRTD-UHFFFAOYSA-N 1 0 277.391 3.965 50 0 CHAARO Cc1nc2c3ccccc3oc2c(Nc2cc[nH+]cc2)n1 ZINC000009009473 170361444 /nfs/dbraw/zinc/36/14/44/170361444.db2.gz SLFHUCWLHRKVSG-UHFFFAOYSA-N 1 0 276.299 3.823 50 0 CHAARO CC[C@@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000012151414 170471067 /nfs/dbraw/zinc/47/10/67/170471067.db2.gz PDKBWNGWHZWMNM-HUUCEWRRSA-N 1 0 277.456 3.834 50 0 CHAARO Fc1cccc(Cl)c1CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000014196650 170624021 /nfs/dbraw/zinc/62/40/21/170624021.db2.gz UTXOXQSLOVHAGX-CHWSQXEVSA-N 1 0 298.814 3.983 50 0 CHAARO CSc1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000020123850 171005674 /nfs/dbraw/zinc/00/56/74/171005674.db2.gz RDRISPAPVQVVRD-LBPRGKRZSA-N 1 0 258.390 3.654 50 0 CHAARO Clc1ccc(Cl)c(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020221548 171082752 /nfs/dbraw/zinc/08/27/52/171082752.db2.gz BTDKHBOOXTVCAU-LLVKDONJSA-N 1 0 274.191 3.904 50 0 CHAARO CC(C)[C@@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000020305450 171141475 /nfs/dbraw/zinc/14/14/75/171141475.db2.gz XZFXDIXPMXGVHK-SECBINFHSA-N 1 0 274.177 3.722 50 0 CHAARO c1ccc(-c2ccc(C[NH2+][C@@H]3CN4CCC3CC4)cc2)cc1 ZINC000020477219 171221241 /nfs/dbraw/zinc/22/12/41/171221241.db2.gz QDOXHTUVVNVSEI-HXUWFJFHSA-N 1 0 292.426 3.537 50 0 CHAARO FC(F)(F)c1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020593614 171263122 /nfs/dbraw/zinc/26/31/22/171263122.db2.gz AQQSBWDZDVLLSQ-GFCCVEGCSA-N 1 0 273.298 3.616 50 0 CHAARO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(Cl)s1 ZINC000031232841 171633737 /nfs/dbraw/zinc/63/37/37/171633737.db2.gz JILISHGEDCWKCV-UHFFFAOYSA-N 1 0 294.807 3.715 50 0 CHAARO c1csc(-c2csc(C[NH2+]CCN3CCCC3)c2)c1 ZINC000035256046 172086124 /nfs/dbraw/zinc/08/61/24/172086124.db2.gz XIUSYKDVDJTHJU-UHFFFAOYSA-N 1 0 292.473 3.662 50 0 CHAARO Cc1ccc([C@H]([NH2+]Cc2ccccn2)C2CC2)cc1 ZINC000035257380 172087872 /nfs/dbraw/zinc/08/78/72/172087872.db2.gz YNCHBOPMVWIFHC-KRWDZBQOSA-N 1 0 252.361 3.631 50 0 CHAARO Cc1cccc(C[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000035287273 172105193 /nfs/dbraw/zinc/10/51/93/172105193.db2.gz UYOBRGNFTJRLDZ-UHFFFAOYSA-N 1 0 279.387 3.594 50 0 CHAARO CC[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000035539013 172245209 /nfs/dbraw/zinc/24/52/09/172245209.db2.gz UIADRZHSZNPTFA-AWEZNQCLSA-N 1 0 291.192 3.543 50 0 CHAARO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000037321147 173121895 /nfs/dbraw/zinc/12/18/95/173121895.db2.gz QTVQWACWDSTERV-LSDHHAIUSA-N 1 0 287.428 3.808 50 0 CHAARO CC(C)CCN(CCC(C)C)C[C@H]1CCCCC[NH2+]1 ZINC000039706272 174171408 /nfs/dbraw/zinc/17/14/08/174171408.db2.gz FHUGWLMGVKKUOL-QGZVFWFLSA-N 1 0 268.489 3.913 50 0 CHAARO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040463455 174272937 /nfs/dbraw/zinc/27/29/37/174272937.db2.gz CTFVTRWWEXZJPZ-TUAOUCFPSA-N 1 0 291.420 3.837 50 0 CHAARO c1[nH]c2ccccc2c1C[C@H]1[NH2+]CCC2=C1CCCC2 ZINC000044125792 175144071 /nfs/dbraw/zinc/14/40/71/175144071.db2.gz OLRDBOUBFDLTEI-GOSISDBHSA-N 1 0 266.388 3.943 50 0 CHAARO CC[C@@H](C)[NH2+]Cc1ccccc1-c1cccc(O)c1 ZINC000067803423 175793239 /nfs/dbraw/zinc/79/32/39/175793239.db2.gz UMMXNOFGZIDTKL-CYBMUJFWSA-N 1 0 255.361 3.947 50 0 CHAARO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](CC(=O)OC)c2cccs2)C1 ZINC000071113947 176034361 /nfs/dbraw/zinc/03/43/61/176034361.db2.gz ODYLXWLXXMGZFM-MCIONIFRSA-N 1 0 295.448 3.911 50 0 CHAARO CC[C@H]1CN(Cc2ccc(Cl)cc2F)CC[N@@H+]1C(C)C ZINC000072130668 176321094 /nfs/dbraw/zinc/32/10/94/176321094.db2.gz ZOEKNZBEPVHGCM-HNNXBMFYSA-N 1 0 298.833 3.784 50 0 CHAARO Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccc3nonc3c2)cc1 ZINC000072152899 176327984 /nfs/dbraw/zinc/32/79/84/176327984.db2.gz FJUVCTHEXWDPGE-QGZVFWFLSA-N 1 0 297.333 3.699 50 0 CHAARO FCCC[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000072161923 176330029 /nfs/dbraw/zinc/33/00/29/176330029.db2.gz RTTNUKRXSXZUOP-AWEZNQCLSA-N 1 0 267.363 3.830 50 0 CHAARO c1nc2ccccn2c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000072272612 176354843 /nfs/dbraw/zinc/35/48/43/176354843.db2.gz GAVGKCINDIYQCO-QGZVFWFLSA-N 1 0 277.371 3.502 50 0 CHAARO Cc1ccc(C)c(-c2nccn2CCCc2cnn(C)c2)c1 ZINC000077343891 177254510 /nfs/dbraw/zinc/25/45/10/177254510.db2.gz ZGYDZHAQKGWDJV-UHFFFAOYSA-N 1 0 294.402 3.533 50 0 CHAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000078739015 177380190 /nfs/dbraw/zinc/38/01/90/177380190.db2.gz SEIJXLZAUXTPIB-HZPDHXFCSA-N 1 0 296.414 3.797 50 0 CHAARO c1ccc([C@@H]2CCC[N@@H+](Cc3ccncc3)CC2)cc1 ZINC000078802056 177390298 /nfs/dbraw/zinc/39/02/98/177390298.db2.gz IKXXGMWCCBIECA-GOSISDBHSA-N 1 0 266.388 3.851 50 0 CHAARO c1ccc(C[NH2+]CCc2cccc3cccnc32)cc1 ZINC000092021517 260268107 /nfs/dbraw/zinc/26/81/07/260268107.db2.gz UICKWVJXLBCBEU-UHFFFAOYSA-N 1 0 262.356 3.567 50 0 CHAARO COc1ccc(C[N@H+](C)CCc2ccccc2)cc1C ZINC000023281490 266022812 /nfs/dbraw/zinc/02/28/12/266022812.db2.gz GOAGIAZVECOABQ-UHFFFAOYSA-N 1 0 269.388 3.678 50 0 CHAARO CCc1ncc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)cn1 ZINC000414311786 328154539 /nfs/dbraw/zinc/15/45/39/328154539.db2.gz VKVIEKIYEARAGI-HNNXBMFYSA-N 1 0 297.446 3.885 50 0 CHAARO Cc1nccn1CC[C@H](C)[NH2+]C1(Cc2ccc(C)cc2)CC1 ZINC000534581267 328311891 /nfs/dbraw/zinc/31/18/91/328311891.db2.gz SZVDCESZYIPVTF-INIZCTEOSA-N 1 0 297.446 3.643 50 0 CHAARO COc1cncc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c1 ZINC000534593122 328318836 /nfs/dbraw/zinc/31/88/36/328318836.db2.gz HMPAAKHTPAVTPC-CQSZACIVSA-N 1 0 282.387 3.914 50 0 CHAARO Fc1ccccc1C1(C[NH2+][C@H]2CCSC2)CCCC1 ZINC000534645429 328330502 /nfs/dbraw/zinc/33/05/02/328330502.db2.gz NXRKFCWXDTWHFD-ZDUSSCGKSA-N 1 0 279.424 3.733 50 0 CHAARO Fc1ccccc1C1(C[NH2+][C@@H]2CCSC2)CCCC1 ZINC000534645407 328330588 /nfs/dbraw/zinc/33/05/88/328330588.db2.gz NXRKFCWXDTWHFD-CYBMUJFWSA-N 1 0 279.424 3.733 50 0 CHAARO C[C@H]([NH2+]Cc1ccccc1Cl)[C@@H](O)c1ccccc1 ZINC000019871867 326857497 /nfs/dbraw/zinc/85/74/97/326857497.db2.gz KCYXVAXVDNWVJI-BLLLJJGKSA-N 1 0 275.779 3.552 50 0 CHAARO Cc1ccc(C)n1CCC[NH2+]Cc1ccccc1Cl ZINC000032919503 326898492 /nfs/dbraw/zinc/89/84/92/326898492.db2.gz PXKHNUFBXHBLGR-UHFFFAOYSA-N 1 0 276.811 3.938 50 0 CHAARO C/C(=C/c1ccccc1)CN(C)Cc1cc(C)on1 ZINC000255720352 327008223 /nfs/dbraw/zinc/00/82/23/327008223.db2.gz MLIVQWQCNSBYNT-LCYFTJDESA-N 1 0 256.349 3.518 50 0 CHAARO CC[N@H+](Cc1ccc(F)cc1F)[C@H]1CCOC(C)(C)C1 ZINC000289664242 521315392 /nfs/dbraw/zinc/31/53/92/521315392.db2.gz FNNHZMISCWBGTD-AWEZNQCLSA-N 1 0 283.362 3.744 50 0 CHAARO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000096479088 534104391 /nfs/dbraw/zinc/10/43/91/534104391.db2.gz GCKOMLZPWFBVLY-YPMHNXCESA-N 1 0 290.432 3.742 50 0 CHAARO Cc1cnc([C@@H](C)[NH2+][C@@H](C)Cc2ccsc2)s1 ZINC000096479074 534621514 /nfs/dbraw/zinc/62/15/14/534621514.db2.gz GYLBFPCIJHFZGC-GXSJLCMTSA-N 1 0 266.435 3.795 50 0 CHAARO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000170087969 567005401 /nfs/dbraw/zinc/00/54/01/567005401.db2.gz KNGOHSBEJFSJGH-VHSXEESVSA-N 1 0 293.354 3.812 50 0 CHAARO Cc1nc(C)c(C[NH2+][C@H](C)c2cc(F)cc(F)c2)s1 ZINC000097228393 567905683 /nfs/dbraw/zinc/90/56/83/567905683.db2.gz XRVJZTPGNWGTLW-MRVPVSSYSA-N 1 0 282.359 3.889 50 0 CHAARO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3nc(C)sc32)C1 ZINC000685939702 570318173 /nfs/dbraw/zinc/31/81/73/570318173.db2.gz ZORGCWCTMYEGRR-WZRBSPASSA-N 1 0 282.478 3.703 50 0 CHAARO Cc1nc2cc(N(C)C(=O)c3ccccc3Cl)ccc2[nH]1 ZINC000082351794 566838757 /nfs/dbraw/zinc/83/87/57/566838757.db2.gz IDWWIWGCAQHIMS-UHFFFAOYSA-N 1 0 299.761 3.801 50 0 CHAARO COc1ccc(C(C)=O)cc1C[NH+]1CCCCCCC1 ZINC000034980778 566841551 /nfs/dbraw/zinc/84/15/51/566841551.db2.gz VUWDWNPNNQHJJP-UHFFFAOYSA-N 1 0 275.392 3.664 50 0 CHAARO CCOc1cccc(C[NH2+]CCCc2ccccc2)c1 ZINC000032117397 566864150 /nfs/dbraw/zinc/86/41/50/566864150.db2.gz LQBFSATWLDTKPM-UHFFFAOYSA-N 1 0 269.388 3.808 50 0 CHAARO c1ccc(N[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)cc1 ZINC000084553358 566885375 /nfs/dbraw/zinc/88/53/75/566885375.db2.gz GNBOPMSAKTYPTB-HNNXBMFYSA-N 1 0 293.370 3.514 50 0 CHAARO Cc1cccc(C)c1[C@H](OCC[NH+](C)C)c1ccccc1 ZINC000044559814 566916982 /nfs/dbraw/zinc/91/69/82/566916982.db2.gz MDOKGWJPAAPILV-LJQANCHMSA-N 1 0 283.415 3.971 50 0 CHAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)c1ccccc1 ZINC000043191095 566917249 /nfs/dbraw/zinc/91/72/49/566917249.db2.gz KRYRPLBWLKPZET-UHFFFAOYSA-N 1 0 279.339 3.725 50 0 CHAARO Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCC3)cc1 ZINC000015953377 566929861 /nfs/dbraw/zinc/92/98/61/566929861.db2.gz PZBQWXVZZSOMEC-UHFFFAOYSA-N 1 0 275.375 3.686 50 0 CHAARO CSCc1cc(F)ccc1C[NH2+]Cc1cccc(O)c1 ZINC000088751904 566934704 /nfs/dbraw/zinc/93/47/04/566934704.db2.gz LFQOPQVNPALXSD-UHFFFAOYSA-N 1 0 291.391 3.684 50 0 CHAARO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](C)C1 ZINC000225256577 566950904 /nfs/dbraw/zinc/95/09/04/566950904.db2.gz XXQWTMSXVMQLIY-WDEREUQCSA-N 1 0 277.393 3.591 50 0 CHAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000224082029 566950964 /nfs/dbraw/zinc/95/09/64/566950964.db2.gz ADQAWJJCVOTDOE-KURKYZTESA-N 1 0 276.468 3.539 50 0 CHAARO c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC000064034273 566952535 /nfs/dbraw/zinc/95/25/35/566952535.db2.gz NKJBWZQGCAPMGQ-GOSISDBHSA-N 1 0 267.372 3.730 50 0 CHAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCCC1 ZINC000016445181 566960604 /nfs/dbraw/zinc/96/06/04/566960604.db2.gz KQAZTNHQUIYOSH-OAHLLOKOSA-N 1 0 294.398 3.776 50 0 CHAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCCC1 ZINC000016445183 566960966 /nfs/dbraw/zinc/96/09/66/566960966.db2.gz KQAZTNHQUIYOSH-HNNXBMFYSA-N 1 0 294.398 3.776 50 0 CHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)Cc1ccccc1 ZINC000036100575 566993370 /nfs/dbraw/zinc/99/33/70/566993370.db2.gz SDESERDGCGUSIZ-HXUWFJFHSA-N 1 0 297.442 3.811 50 0 CHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)C(C)C)c1 ZINC000036100334 566994647 /nfs/dbraw/zinc/99/46/47/566994647.db2.gz RPFXQAQHDMXBMB-GOSISDBHSA-N 1 0 293.451 3.560 50 0 CHAARO Cc1n[nH]cc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000036901555 567008696 /nfs/dbraw/zinc/00/86/96/567008696.db2.gz OMICGNNLUAXQSD-UHFFFAOYSA-N 1 0 277.371 3.597 50 0 CHAARO Cc1nc2ccccc2n1CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000170592511 567012751 /nfs/dbraw/zinc/01/27/51/567012751.db2.gz IZIBNMDOTVZFQT-QGZVFWFLSA-N 1 0 294.402 3.510 50 0 CHAARO c1cn(C2CC[NH+](Cc3cc4ccccc4s3)CC2)cn1 ZINC000092648483 567036530 /nfs/dbraw/zinc/03/65/30/567036530.db2.gz IMOWDZWPIBSSGC-UHFFFAOYSA-N 1 0 297.427 3.935 50 0 CHAARO CCc1cc(OCCOCC[NH2+][C@@H](C)CC)ccc1Cl ZINC000002823962 567036635 /nfs/dbraw/zinc/03/66/35/567036635.db2.gz AWSMSAVKKBDDSY-ZDUSSCGKSA-N 1 0 299.842 3.686 50 0 CHAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)s1)c1cnn(C)c1 ZINC000195540557 567070087 /nfs/dbraw/zinc/07/00/87/567070087.db2.gz BUAUKORTRXMEAI-WCQYABFASA-N 1 0 263.410 3.592 50 0 CHAARO CC[NH2+]CC[C@H](CCC(C)C)c1ccc2c(c1)OCO2 ZINC000002327276 567099091 /nfs/dbraw/zinc/09/90/91/567099091.db2.gz FZIPBALKOKMKJE-AWEZNQCLSA-N 1 0 277.408 3.935 50 0 CHAARO CC(=O)Nc1ccccc1C[N@@H+](C[C@H]1C[C@H]1C)C(C)C ZINC000093661790 567123477 /nfs/dbraw/zinc/12/34/77/567123477.db2.gz XXXLBZURADZAMR-CZUORRHYSA-N 1 0 274.408 3.511 50 0 CHAARO Cc1ccc([C@H]([NH2+]C2CCOCC2)c2ccccc2)cc1 ZINC000095419055 567130843 /nfs/dbraw/zinc/13/08/43/567130843.db2.gz VTTHYKGYTUUSFO-LJQANCHMSA-N 1 0 281.399 3.853 50 0 CHAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCc1cccnc1 ZINC000095420052 567132128 /nfs/dbraw/zinc/13/21/28/567132128.db2.gz YTFXKFQNMDPSCS-KRWDZBQOSA-N 1 0 294.398 3.660 50 0 CHAARO Cc1cc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c(C)s1 ZINC000095422600 567132219 /nfs/dbraw/zinc/13/22/19/567132219.db2.gz KPJPXWRRBNRULJ-ZMZPIMSZSA-N 1 0 287.494 3.563 50 0 CHAARO CCc1ncc(CNc2cc(C[NH+](C)C)ccc2C)s1 ZINC000095429321 567134752 /nfs/dbraw/zinc/13/47/52/567134752.db2.gz OHQIQOLZSYHNHY-UHFFFAOYSA-N 1 0 289.448 3.688 50 0 CHAARO Cc1cc(NC[C@H]2CCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000095458013 567134841 /nfs/dbraw/zinc/13/48/41/567134841.db2.gz ZFRBPGDWGDAJRV-KGLIPLIRSA-N 1 0 270.376 3.770 50 0 CHAARO Cc1ccc(C)c([C@H](OCC[NH+](C)C)c2ccccc2)c1 ZINC000096026353 567136385 /nfs/dbraw/zinc/13/63/85/567136385.db2.gz VITQRFZZRZNCGK-LJQANCHMSA-N 1 0 283.415 3.971 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037898560 567136581 /nfs/dbraw/zinc/13/65/81/567136581.db2.gz XBBKJZBBNCYZPY-VIFPVBQESA-N 1 0 283.297 3.588 50 0 CHAARO CCCC[NH2+]C[C@@H]1COc2c(C)cc(Cl)c(C)c2C1=O ZINC000096026841 567138026 /nfs/dbraw/zinc/13/80/26/567138026.db2.gz WDRDIOBNUTZOIX-GFCCVEGCSA-N 1 0 295.810 3.538 50 0 CHAARO CC[N@H+](CCc1cccc(C(=O)OC)c1)Cc1ccccc1 ZINC000096027696 567138547 /nfs/dbraw/zinc/13/85/47/567138547.db2.gz TZKVCZKSNRNJPK-UHFFFAOYSA-N 1 0 297.398 3.538 50 0 CHAARO C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]([NH3+])CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000254519137 567140319 /nfs/dbraw/zinc/14/03/19/567140319.db2.gz WMEBIWWUBWHAOJ-RTYZRGRQSA-N 1 0 291.479 3.717 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cc2cc(F)ccc2s1 ZINC000097160084 567144295 /nfs/dbraw/zinc/14/42/95/567144295.db2.gz IGMOKKQYUZMLCK-UHFFFAOYSA-N 1 0 289.379 3.670 50 0 CHAARO C[C@@H]([NH2+]C(C)(C)C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000027988411 567145054 /nfs/dbraw/zinc/14/50/54/567145054.db2.gz MIAWBOWAAZHWMV-SFCYXTAJSA-N 1 0 263.425 3.549 50 0 CHAARO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1ccccn1 ZINC000055403623 567145888 /nfs/dbraw/zinc/14/58/88/567145888.db2.gz PIJRMEXPMFSILN-CQSZACIVSA-N 1 0 258.365 3.721 50 0 CHAARO Cn1c[n+](Cc2cccc3ccccc32)c2ccccc21 ZINC000003289760 567167764 /nfs/dbraw/zinc/16/77/64/567167764.db2.gz YOARQDMQJAAMSI-UHFFFAOYSA-N 1 0 273.359 3.667 50 0 CHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(F)c2)cc1 ZINC000042201742 567204156 /nfs/dbraw/zinc/20/41/56/567204156.db2.gz CKNVCTHYYYRDSW-UHFFFAOYSA-N 1 0 299.324 3.645 50 0 CHAARO CCCCN1C(=O)c2ccccc2[C@H]1[NH2+]CCC(C)C ZINC000009730992 567205225 /nfs/dbraw/zinc/20/52/25/567205225.db2.gz SAHDIDPLTPXPDL-INIZCTEOSA-N 1 0 274.408 3.577 50 0 CHAARO [NH3+]C[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000042900071 567205249 /nfs/dbraw/zinc/20/52/49/567205249.db2.gz JYVIHYIVTJTHJZ-CQSZACIVSA-N 1 0 281.277 3.784 50 0 CHAARO COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000000263177 567823270 /nfs/dbraw/zinc/82/32/70/567823270.db2.gz RQZSKQXLWGINHV-SFHVURJKSA-N 1 0 267.372 3.862 50 0 CHAARO CC1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000279567 567823476 /nfs/dbraw/zinc/82/34/76/567823476.db2.gz FDRXYHMDSMRQCH-UHFFFAOYSA-N 1 0 286.463 3.819 50 0 CHAARO COc1ccc(CNc2ccc3c(c2)[nH+]c(C)n3C)cc1 ZINC000000274885 567823574 /nfs/dbraw/zinc/82/35/74/567823574.db2.gz JXCZXKMJBLPFEY-UHFFFAOYSA-N 1 0 281.359 3.502 50 0 CHAARO [NH3+][C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000000335638 567825564 /nfs/dbraw/zinc/82/55/64/567825564.db2.gz AKMMVPFDNDRZLO-ZDUSSCGKSA-N 1 0 251.251 3.754 50 0 CHAARO [NH3+][C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000000335640 567825622 /nfs/dbraw/zinc/82/56/22/567825622.db2.gz AKMMVPFDNDRZLO-CYBMUJFWSA-N 1 0 251.251 3.754 50 0 CHAARO C[NH+](C)Cc1ccccc1Sc1ccc(O)cc1 ZINC000000347788 567826274 /nfs/dbraw/zinc/82/62/74/567826274.db2.gz BJOPZPFZQQKACQ-UHFFFAOYSA-N 1 0 259.374 3.605 50 0 CHAARO CC[NH+](CC)C[C@H](O)c1ccc(C2CCCC2)cc1 ZINC000000347576 567826367 /nfs/dbraw/zinc/82/63/67/567826367.db2.gz OTUPOONJCYPSTC-KRWDZBQOSA-N 1 0 261.409 3.719 50 0 CHAARO Cc1ccc(CN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000000447824 567830784 /nfs/dbraw/zinc/83/07/84/567830784.db2.gz INFPUWJMMVGEEY-UHFFFAOYSA-N 1 0 277.371 3.581 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1C1CCN(Cc2ccccc2)CC1 ZINC000000757882 567834637 /nfs/dbraw/zinc/83/46/37/567834637.db2.gz LGWGJGAVDCGFRS-MRXNPFEDSA-N 1 0 272.436 3.525 50 0 CHAARO CCCCCn1c2c(c(=[NH2+])c3ccccc31)CCC2 ZINC000001773559 567843617 /nfs/dbraw/zinc/84/36/17/567843617.db2.gz NUUYLSYEZFKFHN-UHFFFAOYSA-N 1 0 254.377 3.800 50 0 CHAARO O=C(c1ccc(F)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514564 567846368 /nfs/dbraw/zinc/84/63/68/567846368.db2.gz XTWABMVCOMCJPO-UHFFFAOYSA-N 1 0 283.346 3.653 50 0 CHAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)cc1 ZINC000002514881 567846430 /nfs/dbraw/zinc/84/64/30/567846430.db2.gz LUEJZAYEDSYNMB-UHFFFAOYSA-N 1 0 277.367 3.598 50 0 CHAARO COc1ccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000002515051 567846449 /nfs/dbraw/zinc/84/64/49/567846449.db2.gz MRRDXGCFSJVULR-UHFFFAOYSA-N 1 0 295.382 3.522 50 0 CHAARO CC[C@@H](C)[NH2+]CCOc1ccc(Br)cc1C ZINC000002823780 567849440 /nfs/dbraw/zinc/84/94/40/567849440.db2.gz SJDPKFRMUBPJOF-LLVKDONJSA-N 1 0 286.213 3.524 50 0 CHAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(Cl)c(C)c1C ZINC000002823312 567849626 /nfs/dbraw/zinc/84/96/26/567849626.db2.gz SSWTVYLFQUWTFI-GFCCVEGCSA-N 1 0 299.842 3.740 50 0 CHAARO Cc1cc(C)c(OCCC[NH+]2CCCCC2)c(C)c1 ZINC000002899173 567850219 /nfs/dbraw/zinc/85/02/19/567850219.db2.gz JGKKGHIZWYJVII-UHFFFAOYSA-N 1 0 261.409 3.867 50 0 CHAARO CC[NH+](CC)CCCCCCOc1cccc(OC)c1 ZINC000002880364 567850302 /nfs/dbraw/zinc/85/03/02/567850302.db2.gz WHCZMMNRTKHVMU-UHFFFAOYSA-N 1 0 279.424 3.976 50 0 CHAARO CC1(C)C[C@@](CC[NH+]2CCCC2)(c2ccccc2)CCO1 ZINC000003683880 567853682 /nfs/dbraw/zinc/85/36/82/567853682.db2.gz YEPJCKVUKZDYKS-IBGZPJMESA-N 1 0 287.447 3.999 50 0 CHAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccccc1F ZINC000003904961 567854325 /nfs/dbraw/zinc/85/43/25/567854325.db2.gz RVQIYLDWJBKUAL-MGPQQGTHSA-N 1 0 293.382 3.634 50 0 CHAARO C[C@H]([NH2+]C1CCCCC1)[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000004363337 567857050 /nfs/dbraw/zinc/85/70/50/567857050.db2.gz QHPUFCJLHPLOQB-FYSCAJFOSA-N 1 0 291.479 3.875 50 0 CHAARO c1cc(-c2ccccc2)oc1C[NH2+]Cc1cccnc1 ZINC000004414794 567857524 /nfs/dbraw/zinc/85/75/24/567857524.db2.gz NMIMXKTXHQPLTK-UHFFFAOYSA-N 1 0 264.328 3.631 50 0 CHAARO CCOc1ccccc1/C=C/c1cccc[n+]1CC ZINC000004774925 567859076 /nfs/dbraw/zinc/85/90/76/567859076.db2.gz KBUSOEXDALNBOX-OUKQBFOZSA-N 1 0 254.353 3.563 50 0 CHAARO Cc1cccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000004980980 567859176 /nfs/dbraw/zinc/85/91/76/567859176.db2.gz RHLSDHLQMWAOGZ-UHFFFAOYSA-N 1 0 294.442 3.934 50 0 CHAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cnc(Cl)s1 ZINC000005720679 567859733 /nfs/dbraw/zinc/85/97/33/567859733.db2.gz OIWOVKUIMUZSTC-NSHDSACASA-N 1 0 280.824 3.907 50 0 CHAARO CC(C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000010435956 567861368 /nfs/dbraw/zinc/86/13/68/567861368.db2.gz UCFRYLISROETOU-UHFFFAOYSA-N 1 0 273.351 3.903 50 0 CHAARO CCc1[nH+]c2c(c(C)c(C)n2Cc2ccncc2)c(N)c1C ZINC000012324873 567862646 /nfs/dbraw/zinc/86/26/46/567862646.db2.gz DBRJPJLMYKPRPG-UHFFFAOYSA-N 1 0 294.402 3.549 50 0 CHAARO Cc1ccccc1CC[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000012307189 567862668 /nfs/dbraw/zinc/86/26/68/567862668.db2.gz QIXZRMGUNHMMPB-QGZVFWFLSA-N 1 0 297.446 3.573 50 0 CHAARO C[C@H]1CCC[C@]2(C1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000032666103 567864502 /nfs/dbraw/zinc/86/45/02/567864502.db2.gz LPEYZMKDCFQJKR-YVEFUNNKSA-N 1 0 254.377 3.719 50 0 CHAARO COc1ccc(OCCC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000014083964 567868456 /nfs/dbraw/zinc/86/84/56/567868456.db2.gz CJZJFYUPSOMPHQ-RLFYNMQTSA-N 1 0 291.435 3.878 50 0 CHAARO c1ccc(Oc2ccc(OC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631245 567869539 /nfs/dbraw/zinc/86/95/39/567869539.db2.gz RWFQHFAWSSDSRQ-OAHLLOKOSA-N 1 0 283.371 3.857 50 0 CHAARO Clc1ccc(OCCCn2ccnc2)cc1Cl ZINC000016192722 567872123 /nfs/dbraw/zinc/87/21/23/567872123.db2.gz GTODKSBPPVFPNV-UHFFFAOYSA-N 1 0 271.147 3.659 50 0 CHAARO CCC(CC)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019788351 567879036 /nfs/dbraw/zinc/87/90/36/567879036.db2.gz NTLHSYMIFIKLEK-UHFFFAOYSA-N 1 0 280.843 3.646 50 0 CHAARO CC1CCC(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000019790115 567879154 /nfs/dbraw/zinc/87/91/54/567879154.db2.gz SOZFAPALWISQBU-LXPRWKDFSA-N 1 0 276.468 3.539 50 0 CHAARO c1ccc(CCCN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019900086 567879842 /nfs/dbraw/zinc/87/98/42/567879842.db2.gz PIUGLYAIASQPLN-FQEVSTJZSA-N 1 0 298.474 3.593 50 0 CHAARO Cc1ccc(SCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000019989087 567880404 /nfs/dbraw/zinc/88/04/04/567880404.db2.gz IZURCORKMWHCCJ-GJZGRUSLSA-N 1 0 279.449 3.586 50 0 CHAARO COc1ccccc1[C@@H](C)[NH2+]Cc1sccc1C ZINC000020096644 567880917 /nfs/dbraw/zinc/88/09/17/567880917.db2.gz MMERQMLMIXAIQY-GFCCVEGCSA-N 1 0 261.390 3.916 50 0 CHAARO CN(Cc1ncc(Cl)n1C)[C@H]1CCCc2ccccc21 ZINC000026815916 567883108 /nfs/dbraw/zinc/88/31/08/567883108.db2.gz XBGZPRYITCOORV-AWEZNQCLSA-N 1 0 289.810 3.583 50 0 CHAARO CCCCCCOCC[NH2+]CCOCCCCCC ZINC000030836390 567884783 /nfs/dbraw/zinc/88/47/83/567884783.db2.gz SIVDZOSNINXFCR-UHFFFAOYSA-N 1 0 273.461 3.770 50 0 CHAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000030641038 567884856 /nfs/dbraw/zinc/88/48/56/567884856.db2.gz WZIGLMVFPDPIPH-LBPRGKRZSA-N 1 0 288.416 3.947 50 0 CHAARO Cc1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)s1 ZINC000030690100 567884877 /nfs/dbraw/zinc/88/48/77/567884877.db2.gz MRQVCRQWXCQMRV-UHFFFAOYSA-N 1 0 297.383 3.554 50 0 CHAARO [NH3+]CCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032629478 567886229 /nfs/dbraw/zinc/88/62/29/567886229.db2.gz BAIWUKMVMBQKBH-UHFFFAOYSA-N 1 0 297.789 3.694 50 0 CHAARO C[C@@H](Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000000182670 567887468 /nfs/dbraw/zinc/88/74/68/567887468.db2.gz UCHLBQBKXVDILA-INIZCTEOSA-N 1 0 298.405 3.579 50 0 CHAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc2ccccc2c1 ZINC000022078278 567888085 /nfs/dbraw/zinc/88/80/85/567888085.db2.gz RUZOSVXUXMDZIJ-DNVCBOLYSA-N 1 0 280.415 3.508 50 0 CHAARO [NH3+]C[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000137251179 567888575 /nfs/dbraw/zinc/88/85/75/567888575.db2.gz VBTSSRPPXRITBZ-NSHDSACASA-N 1 0 293.288 3.635 50 0 CHAARO CC[NH2+][C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000036819984 567889838 /nfs/dbraw/zinc/88/98/38/567889838.db2.gz XCLOFVSSVHNWOB-QGZVFWFLSA-N 1 0 254.377 3.904 50 0 CHAARO [NH3+]Cc1ccc(Br)cc1Oc1ccccc1 ZINC000036985466 567890001 /nfs/dbraw/zinc/89/00/01/567890001.db2.gz BRHBNMZJULCWFA-UHFFFAOYSA-N 1 0 278.149 3.700 50 0 CHAARO Cc1cc(C)c(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770726 567891514 /nfs/dbraw/zinc/89/15/14/567891514.db2.gz DXCQMOKWFCUHKT-CYBMUJFWSA-N 1 0 267.800 3.725 50 0 CHAARO Cc1ccc(C(C)C)c(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772861 567891612 /nfs/dbraw/zinc/89/16/12/567891612.db2.gz UETPBILWMDKGBS-HNNXBMFYSA-N 1 0 261.409 3.887 50 0 CHAARO Clc1cccc(OCC[C@H]2CCC[NH2+]C2)c1Cl ZINC000042772236 567891650 /nfs/dbraw/zinc/89/16/50/567891650.db2.gz AHCDZTSNGBIESR-SNVBAGLBSA-N 1 0 274.191 3.762 50 0 CHAARO CC[C@H](C)c1cc(Cl)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042771131 567891673 /nfs/dbraw/zinc/89/16/73/567891673.db2.gz QZAHRHHMKIMSBB-RYUDHWBXSA-N 1 0 267.800 3.842 50 0 CHAARO CC[C@H](C)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773226 567891697 /nfs/dbraw/zinc/89/16/97/567891697.db2.gz QRBPPUWAVHFXJH-LSDHHAIUSA-N 1 0 261.409 3.969 50 0 CHAARO Clc1ccc(OC[C@@H]2CC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042771181 567891741 /nfs/dbraw/zinc/89/17/41/567891741.db2.gz KBIVIDXWOXGZBO-CYBMUJFWSA-N 1 0 287.790 3.995 50 0 CHAARO CC(C)c1cc(Cl)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042775178 567891908 /nfs/dbraw/zinc/89/19/08/567891908.db2.gz ZZCCJPIMFDWYIW-GFCCVEGCSA-N 1 0 267.800 3.842 50 0 CHAARO Cc1cc(C)c(C[N@@H+](C)[C@H](C)c2ccco2)c(C)c1CO ZINC000055227288 567894203 /nfs/dbraw/zinc/89/42/03/567894203.db2.gz FVWJLBHNHTURRQ-OAHLLOKOSA-N 1 0 287.403 3.890 50 0 CHAARO Cc1cccc(N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000055543071 567894521 /nfs/dbraw/zinc/89/45/21/567894521.db2.gz MCZFMYCNQLVMDA-UHFFFAOYSA-N 1 0 286.444 3.687 50 0 CHAARO Brc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000057274470 567895030 /nfs/dbraw/zinc/89/50/30/567895030.db2.gz WBNMDPFFOKNCFH-UHFFFAOYSA-N 1 0 282.206 3.800 50 0 CHAARO COc1ccc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000057263113 567895151 /nfs/dbraw/zinc/89/51/51/567895151.db2.gz IGPMSBDGRUCNOG-UHFFFAOYSA-N 1 0 267.781 3.700 50 0 CHAARO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCCCC1 ZINC000058018594 567895266 /nfs/dbraw/zinc/89/52/66/567895266.db2.gz IJRQLYOKDUSUBS-NSHDSACASA-N 1 0 291.782 3.937 50 0 CHAARO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000058368366 567895850 /nfs/dbraw/zinc/89/58/50/567895850.db2.gz AKYPDZSMRHUDOV-CYBMUJFWSA-N 1 0 282.387 3.509 50 0 CHAARO CC[N@H+](C)C1CCN(c2cccc(-c3ccco3)c2)CC1 ZINC000063845248 567897747 /nfs/dbraw/zinc/89/77/47/567897747.db2.gz IAUXOHDVHKTCMN-UHFFFAOYSA-N 1 0 284.403 3.867 50 0 CHAARO C/C(=C\c1ccccc1)CN1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000065385202 567898668 /nfs/dbraw/zinc/89/86/68/567898668.db2.gz OMPZPSCQSYZBIV-NWNNTGRJSA-N 1 0 284.447 3.649 50 0 CHAARO c1nc2c([nH]1)[C@@H](c1cccc3c4ccccc4oc31)[NH2+]CC2 ZINC000065427993 567899319 /nfs/dbraw/zinc/89/93/19/567899319.db2.gz HASWYTPQUJNKBR-MRXNPFEDSA-N 1 0 289.338 3.544 50 0 CHAARO Fc1ccc([C@@H]2CCC[N@@H+]2CCc2ccccn2)cc1 ZINC000066350264 567899799 /nfs/dbraw/zinc/89/97/99/567899799.db2.gz IOXDJUKJQOKXLB-KRWDZBQOSA-N 1 0 270.351 3.600 50 0 CHAARO Fc1ccc([C@H]2CCC[N@@H+]2CCc2ccccn2)cc1 ZINC000066350263 567899876 /nfs/dbraw/zinc/89/98/76/567899876.db2.gz IOXDJUKJQOKXLB-QGZVFWFLSA-N 1 0 270.351 3.600 50 0 CHAARO Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)c2c1 ZINC000067803771 567900452 /nfs/dbraw/zinc/90/04/52/567900452.db2.gz JUBPIEQDMZZQOF-LPHOPBHVSA-N 1 0 298.430 3.603 50 0 CHAARO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3ccc4occc4c3)c2O1 ZINC000067871436 567900509 /nfs/dbraw/zinc/90/05/09/567900509.db2.gz DOXAAVINIXLGKF-AWEZNQCLSA-N 1 0 283.302 3.501 50 0 CHAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000097113705 567904716 /nfs/dbraw/zinc/90/47/16/567904716.db2.gz IXWXYVOCHVMNBE-ZDUSSCGKSA-N 1 0 265.360 3.756 50 0 CHAARO Cc1cccc2[nH]c([C@H]3CCCN(c4cc[nH+]cc4)C3)nc21 ZINC000077471556 567905327 /nfs/dbraw/zinc/90/53/27/567905327.db2.gz JLUHSTOHZCRICI-AWEZNQCLSA-N 1 0 292.386 3.650 50 0 CHAARO Cc1nc(C)c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)s1 ZINC000097228391 567905840 /nfs/dbraw/zinc/90/58/40/567905840.db2.gz XRVJZTPGNWGTLW-QMMMGPOBSA-N 1 0 282.359 3.889 50 0 CHAARO Cc1noc(C)c1CCC[NH2+][C@H](C)c1cccs1 ZINC000097228488 567906040 /nfs/dbraw/zinc/90/60/40/567906040.db2.gz XLMOEJDMOVRUTK-LLVKDONJSA-N 1 0 264.394 3.636 50 0 CHAARO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1ccccc1 ZINC000096318758 567910211 /nfs/dbraw/zinc/91/02/11/567910211.db2.gz DVFVULWSBWKNRS-QZTJIDSGSA-N 1 0 294.442 3.781 50 0 CHAARO Cc1ccc(C[NH+]2CCC(c3ccnc(C)n3)CC2)s1 ZINC000097295305 567910542 /nfs/dbraw/zinc/91/05/42/567910542.db2.gz UHTZAQCBBXICLO-UHFFFAOYSA-N 1 0 287.432 3.535 50 0 CHAARO Cc1cc([C@@H]2CCCC[N@@H+]2CCc2ccccc2)no1 ZINC000097307471 567910559 /nfs/dbraw/zinc/91/05/59/567910559.db2.gz ZKPOGZUCUBAJBR-KRWDZBQOSA-N 1 0 270.376 3.753 50 0 CHAARO Fc1ccc([C@H]2CCN2Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000097610238 567910987 /nfs/dbraw/zinc/91/09/87/567910987.db2.gz IJYOEXHAWGZOCI-MRXNPFEDSA-N 1 0 297.333 3.756 50 0 CHAARO CC(C)C[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000000251377 567925727 /nfs/dbraw/zinc/92/57/27/567925727.db2.gz RIACBHDSQZAQOT-UHFFFAOYSA-N 1 0 294.483 3.726 50 0 CHAARO CCc1nocc1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000408523727 567927635 /nfs/dbraw/zinc/92/76/35/567927635.db2.gz MSQRNJFPVMFQTM-KRWDZBQOSA-N 1 0 288.391 3.733 50 0 CHAARO Fc1ccc(CC2([NH2+]Cc3ccccc3)CC2)cc1 ZINC000408525917 567927716 /nfs/dbraw/zinc/92/77/16/567927716.db2.gz OPJOVCZNKDSDMV-UHFFFAOYSA-N 1 0 255.336 3.691 50 0 CHAARO CCCC[N@H+](Cc1ccccc1)C1CCN(CC)CC1 ZINC000002499259 567937727 /nfs/dbraw/zinc/93/77/27/567937727.db2.gz MNPWDROLZBPKSB-UHFFFAOYSA-N 1 0 274.452 3.773 50 0 CHAARO O[C@@H](C[N@H+]1CC=C(c2ccccc2)CC1)c1cccc(F)c1 ZINC000051112458 567940710 /nfs/dbraw/zinc/94/07/10/567940710.db2.gz LIBWANYWGXZZGO-IBGZPJMESA-N 1 0 297.373 3.648 50 0 CHAARO Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000000238167 567941923 /nfs/dbraw/zinc/94/19/23/567941923.db2.gz LDTXHSXRDQSUGN-UHFFFAOYSA-N 1 0 298.405 3.765 50 0 CHAARO Fc1ccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(Cl)c1 ZINC000014196668 567942547 /nfs/dbraw/zinc/94/25/47/567942547.db2.gz MZLCWNMQPLWQFP-BETUJISGSA-N 1 0 298.814 3.983 50 0 CHAARO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2)c1 ZINC000019899543 567945106 /nfs/dbraw/zinc/94/51/06/567945106.db2.gz ONUASMHUAAZJGJ-CYBMUJFWSA-N 1 0 271.360 3.555 50 0 CHAARO CC1(C)CC(N2CCCCC2)=CC(=[N+]2CCCCC2)C1 ZINC000049537583 567946967 /nfs/dbraw/zinc/94/69/67/567946967.db2.gz KQOGHJUNYNFRTN-UHFFFAOYSA-N 1 0 275.460 3.814 50 0 CHAARO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000214995439 567947092 /nfs/dbraw/zinc/94/70/92/567947092.db2.gz MQWKRASGGZCVSL-CQSZACIVSA-N 1 0 273.401 3.636 50 0 CHAARO CSCCC[N@@H+]1CCC[C@H](c2ccccc2C)C1 ZINC000216266344 567947513 /nfs/dbraw/zinc/94/75/13/567947513.db2.gz COSBESRJNCUORV-HNNXBMFYSA-N 1 0 263.450 3.928 50 0 CHAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(F)c1 ZINC000000819108 567948300 /nfs/dbraw/zinc/94/83/00/567948300.db2.gz MVMJPGJHGAKLFX-UHFFFAOYSA-N 1 0 299.324 3.977 50 0 CHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2)cc1C ZINC000000819506 567948438 /nfs/dbraw/zinc/94/84/38/567948438.db2.gz STCAESDRZUMVEB-UHFFFAOYSA-N 1 0 291.398 3.983 50 0 CHAARO CCc1ccc(CC[NH2+][C@H](C)c2ccnc(OC)c2)cc1 ZINC000225408549 567953350 /nfs/dbraw/zinc/95/33/50/567953350.db2.gz ZXKRIWGCVBTTFE-CQSZACIVSA-N 1 0 284.403 3.546 50 0 CHAARO c1ccc([C@H](Cc2ccccn2)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000225585877 567954109 /nfs/dbraw/zinc/95/41/09/567954109.db2.gz HCSYVPMFZHCBQS-OALUTQOASA-N 1 0 294.398 3.648 50 0 CHAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000011789838 570220512 /nfs/dbraw/zinc/22/05/12/570220512.db2.gz ZBJDYUPPOBSMOV-QAPCUYQASA-N 1 0 297.446 3.955 50 0 CHAARO CC[C@@H](CO)[N@H+](CCCC(F)(F)F)Cc1ccsc1 ZINC000055371441 570242888 /nfs/dbraw/zinc/24/28/88/570242888.db2.gz QFTAONOKQYVESX-LBPRGKRZSA-N 1 0 295.370 3.664 50 0 CHAARO CC1=C[C@H](C)[C@H](C[N@H+]2CCO[C@@H]2C(C)C)[C@@H](C)C1 ZINC000061854985 570273949 /nfs/dbraw/zinc/27/39/49/570273949.db2.gz ZINAYKAEPVIUEM-YHUYYLMFSA-N 1 0 251.414 3.539 50 0 CHAARO CCC[C@H](C[N@@H+]1CCC[C@H]([C@H](C)O)C1)c1ccccc1 ZINC000108176434 570294618 /nfs/dbraw/zinc/29/46/18/570294618.db2.gz FXTDLOQKWDLYFF-RYQLBKOJSA-N 1 0 275.436 3.663 50 0 CHAARO Fc1cccc(Cl)c1CN1CCOC2(CCCC2)C1 ZINC000215374964 570302797 /nfs/dbraw/zinc/30/27/97/570302797.db2.gz XRRWJAXOWJLBDE-UHFFFAOYSA-N 1 0 283.774 3.624 50 0 CHAARO COc1ccc(C[N@H+](C)CCC[C@@H]2CCCO2)c(C)c1C ZINC000215757207 570303849 /nfs/dbraw/zinc/30/38/49/570303849.db2.gz LERQOMUVWJTKLG-QGZVFWFLSA-N 1 0 291.435 3.703 50 0 CHAARO C[N@H+](CCOc1ccccc1)[C@H](c1ccccn1)C1CC1 ZINC000244874617 570321340 /nfs/dbraw/zinc/32/13/40/570321340.db2.gz XEKRCBFQOXGOSL-SFHVURJKSA-N 1 0 282.387 3.544 50 0 CHAARO Cc1ccc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)s1 ZINC000084205560 570336617 /nfs/dbraw/zinc/33/66/17/570336617.db2.gz RISMQCJGZZJAQP-UHFFFAOYSA-N 1 0 297.427 3.591 50 0 CHAARO O[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000035111611 570339387 /nfs/dbraw/zinc/33/93/87/570339387.db2.gz NZWXINLHBKTCLN-HNNXBMFYSA-N 1 0 295.304 3.529 50 0 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50 0 CHAARO CCCC[N@H+](CC)C[C@@H](O)COc1ccccc1C(C)C ZINC000003344857 570398870 /nfs/dbraw/zinc/39/88/70/570398870.db2.gz LTYIDVOKOVSMMW-MRXNPFEDSA-N 1 0 293.451 3.672 50 0 CHAARO CCCC[N@H+](CC)C[C@H](O)COc1ccccc1C(C)C ZINC000003344854 570398948 /nfs/dbraw/zinc/39/89/48/570398948.db2.gz LTYIDVOKOVSMMW-INIZCTEOSA-N 1 0 293.451 3.672 50 0 CHAARO CCCOC[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000670451876 570400102 /nfs/dbraw/zinc/40/01/02/570400102.db2.gz ZCPBOEMKDUXZJY-AWEZNQCLSA-N 1 0 299.361 3.537 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](C)[C@H](C)CO)o1 ZINC000077420738 570404984 /nfs/dbraw/zinc/40/49/84/570404984.db2.gz UHFIKTIOBBEJTC-YPMHNXCESA-N 1 0 291.366 3.501 50 0 CHAARO CC[C@@H]([NH2+]Cc1cnc(SC)nc1)c1cccs1 ZINC000952982703 615536131 /nfs/dbraw/zinc/53/61/31/615536131.db2.gz QRHNVBNYZZMTSP-LLVKDONJSA-N 1 0 279.434 3.501 50 0 CHAARO Cc1c(C)n(C(=O)C[N@H+]2CCCC[C@@H]2C)c2ccccc12 ZINC000054097430 1125652258 /nfs/dbraw/zinc/65/22/58/1125652258.db2.gz HJYZWHVDIUUFDA-ZDUSSCGKSA-N 1 0 284.403 3.773 50 0 CHAARO CCOC(=O)CCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000222238704 1125777301 /nfs/dbraw/zinc/77/73/01/1125777301.db2.gz SMNGSEFKXHXZFE-MUSGIIIZSA-N 1 0 287.403 3.508 50 0 CHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000249084054 1126751505 /nfs/dbraw/zinc/75/15/05/1126751505.db2.gz BAVMIBQEBOCUHJ-XJFOESAGSA-N 1 0 291.357 3.655 50 0 CHAARO Cc1cc(C)cc(C[NH2+][C@@](C)(CO)C2CCCCC2)c1 ZINC000170635599 1128105168 /nfs/dbraw/zinc/10/51/68/1128105168.db2.gz FXRGVRZHHBGGLY-SFHVURJKSA-N 1 0 275.436 3.724 50 0 CHAARO COCC[C@@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000670449229 1128540840 /nfs/dbraw/zinc/54/08/40/1128540840.db2.gz QJVZXIMPHUPYFK-SFHVURJKSA-N 1 0 275.436 3.758 50 0 CHAARO C[NH2+]CCC[C@]1(O)c2ccccc2CSc2ccccc21 ZINC000006639580 1117849329 /nfs/dbraw/zinc/84/93/29/1117849329.db2.gz LJPIJKHELBOUMI-SFHVURJKSA-N 1 0 299.439 3.528 50 0 CHAARO COc1ccc(CCc2sc3ccccc3[n+]2C)cc1 ZINC000000404972 1117862006 /nfs/dbraw/zinc/86/20/06/1117862006.db2.gz FCMKUTVSJOEKRP-UHFFFAOYSA-N 1 0 284.404 3.520 50 0 CHAARO COc1cc(C[N@H+](C)CCC(C)C)ccc1SC ZINC000060212936 1118100188 /nfs/dbraw/zinc/10/01/88/1118100188.db2.gz XLYCONSPXCFWGK-UHFFFAOYSA-N 1 0 267.438 3.895 50 0 CHAARO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000078947884 1118335723 /nfs/dbraw/zinc/33/57/23/1118335723.db2.gz SPHOTXIWNLCTLH-CHWSQXEVSA-N 1 0 270.467 3.558 50 0 CHAARO Cc1c(C)n(C(=O)C[NH+]2CCC(C)CC2)c2ccccc12 ZINC000054097288 1118466007 /nfs/dbraw/zinc/46/60/07/1118466007.db2.gz TZDKNVWAMSXZSM-UHFFFAOYSA-N 1 0 284.403 3.630 50 0 CHAARO CC(C)=CCC[C@@H](C)C[N@H+](C)CCc1ccccn1 ZINC000002489726 1118568477 /nfs/dbraw/zinc/56/84/77/1118568477.db2.gz RCMXYUQVUVBWAJ-MRXNPFEDSA-N 1 0 260.425 3.938 50 0 CHAARO COc1ccccc1CC[NH2+]Cc1c[nH]c2ccccc12 ZINC000023634677 1119996674 /nfs/dbraw/zinc/99/66/74/1119996674.db2.gz FGOMWIDNXMGCII-UHFFFAOYSA-N 1 0 280.371 3.509 50 0 CHAARO CCCC[N@H+](C)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000011784218 1120310453 /nfs/dbraw/zinc/31/04/53/1120310453.db2.gz GJCZBCMHZFAEKW-KRWDZBQOSA-N 1 0 294.483 3.680 50 0 CHAARO Cc1cncc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000181845458 1128908683 /nfs/dbraw/zinc/90/86/83/1128908683.db2.gz UACHQMYBTBKXOZ-QGZVFWFLSA-N 1 0 294.398 3.926 50 0 CHAARO Cc1noc2ncc(C[NH2+]C(C)(C)c3ccccc3)cc12 ZINC000585137249 1120532364 /nfs/dbraw/zinc/53/23/64/1120532364.db2.gz OONPVUHUJQCUJQ-UHFFFAOYSA-N 1 0 281.359 3.556 50 0 CHAARO CSCC[C@H](C)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000108357765 1120746303 /nfs/dbraw/zinc/74/63/03/1120746303.db2.gz JANZJMDZOZZRQJ-ZMSDIMECSA-N 1 0 292.492 3.553 50 0 CHAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000004982744 1120938077 /nfs/dbraw/zinc/93/80/77/1120938077.db2.gz DQVHMLVFTJQPBH-GOSISDBHSA-N 1 0 282.387 3.817 50 0 CHAARO CCOC(=O)C1CC[NH+](C[C@@H](C)CCC=C(C)C)CC1 ZINC000000757347 1120973583 /nfs/dbraw/zinc/97/35/83/1120973583.db2.gz DAPCMVFWMLZVTC-HNNXBMFYSA-N 1 0 281.440 3.644 50 0 CHAARO CC[C@@H]1C[N@H+](Cc2ccccc2)Cc2cc(OC)ccc2O1 ZINC000014963525 1120994130 /nfs/dbraw/zinc/99/41/30/1120994130.db2.gz QYNGAKLFTHDZQR-QGZVFWFLSA-N 1 0 297.398 3.868 50 0 CHAARO CC[N@@H+]1CC[C@H](CNc2ccc3cccc(Cl)c3n2)C1 ZINC000823104899 1121989594 /nfs/dbraw/zinc/98/95/94/1121989594.db2.gz NVOFWRPPERUXOC-GFCCVEGCSA-N 1 0 289.810 3.642 50 0 CHAARO CCC(CC)[N@H+](CC)Cc1nc(Cc2ccccc2)no1 ZINC000808781868 1123433019 /nfs/dbraw/zinc/43/30/19/1123433019.db2.gz VFCBWKPDBCPJNF-UHFFFAOYSA-N 1 0 287.407 3.671 50 0 CHAARO Cc1ncsc1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000585084655 1131274876 /nfs/dbraw/zinc/27/48/76/1131274876.db2.gz FPICVYLHKOOEGK-UHFFFAOYSA-N 1 0 288.416 3.625 50 0 CHAARO Cc1ccc([C@@H](C)CCN(C)Cc2csc(C)n2)o1 ZINC000215067342 1125425630 /nfs/dbraw/zinc/42/56/30/1125425630.db2.gz OALXCTMFFHGALP-NSHDSACASA-N 1 0 278.421 3.979 50 0 CHAARO c1ccc(-c2ncc(C[NH+]3CCCCCC3)cn2)cc1 ZINC000220185677 1125432043 /nfs/dbraw/zinc/43/20/43/1125432043.db2.gz YIIYJLRCSOFTRY-UHFFFAOYSA-N 1 0 267.376 3.520 50 0 CHAARO CCCC[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)C1CCC1 ZINC000184875855 1129259733 /nfs/dbraw/zinc/25/97/33/1129259733.db2.gz SHQWBPQZAZZXFQ-AWEZNQCLSA-N 1 0 289.379 3.778 50 0 CHAARO O=C(Nc1ccccc1C[NH+]1CCCC1)[C@H]1CC=CCC1 ZINC000041970847 1131653694 /nfs/dbraw/zinc/65/36/94/1131653694.db2.gz RHAVWTYZIZGUNG-HNNXBMFYSA-N 1 0 284.403 3.577 50 0 CHAARO COC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cccc(F)c1 ZINC000952873087 1132015780 /nfs/dbraw/zinc/01/57/80/1132015780.db2.gz GAJIOOBSFMUHMR-CYBMUJFWSA-N 1 0 293.407 3.924 50 0 CHAARO C[C@@H]([NH2+]Cc1cnc(-c2ccco2)nc1)C1=CCCCC1 ZINC000952966442 1132016592 /nfs/dbraw/zinc/01/65/92/1132016592.db2.gz TZUCGKPXNUMJFF-CYBMUJFWSA-N 1 0 283.375 3.715 50 0 CHAARO CN(C)C1(C[NH2+]Cc2ccc3[nH]ccc3c2)CCCCC1 ZINC000229621658 1132321857 /nfs/dbraw/zinc/32/18/57/1132321857.db2.gz KFXCNEIYVRDQQI-UHFFFAOYSA-N 1 0 285.435 3.522 50 0 CHAARO CC(C)[N@H+](C)CCCOc1cccc2ccccc21 ZINC000095918141 185031073 /nfs/dbraw/zinc/03/10/73/185031073.db2.gz ANKSKOVUIXMBIS-UHFFFAOYSA-N 1 0 257.377 3.949 50 0 CHAARO C[C@H](c1ccccc1)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000095947919 185038223 /nfs/dbraw/zinc/03/82/23/185038223.db2.gz JXJUDOWNFXSLKZ-QAPCUYQASA-N 1 0 296.414 3.686 50 0 CHAARO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1C ZINC000095968481 185046494 /nfs/dbraw/zinc/04/64/94/185046494.db2.gz PBCFQAYEUNFVCA-HUUCEWRRSA-N 1 0 271.408 3.757 50 0 CHAARO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)[C@@H](C)CC)c1 ZINC000095967326 185047197 /nfs/dbraw/zinc/04/71/97/185047197.db2.gz ATOQZLBCFDQYGP-SOUVJXGZSA-N 1 0 290.451 3.739 50 0 CHAARO Cc1nn(C(C)C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000095969258 185047817 /nfs/dbraw/zinc/04/78/17/185047817.db2.gz NBHVALBJZYFCFB-BXUZGUMPSA-N 1 0 281.469 3.627 50 0 CHAARO Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000095969259 185047987 /nfs/dbraw/zinc/04/79/87/185047987.db2.gz NBHVALBJZYFCFB-SMDDNHRTSA-N 1 0 281.469 3.627 50 0 CHAARO CC[NH2+]Cc1ccccc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000095971511 185048298 /nfs/dbraw/zinc/04/82/98/185048298.db2.gz VWUJCTNHSPWXOF-OAHLLOKOSA-N 1 0 296.414 3.928 50 0 CHAARO CCc1ccc(C[NH2+][C@](C)(COC)c2ccccc2)cc1 ZINC000095985809 185054869 /nfs/dbraw/zinc/05/48/69/185054869.db2.gz XFQPOFXVIGSDRP-LJQANCHMSA-N 1 0 283.415 3.900 50 0 CHAARO CC[C@H]([NH2+]Cc1ccc(C(C)C)cc1)c1cncn1C ZINC000095996307 185060220 /nfs/dbraw/zinc/06/02/20/185060220.db2.gz ZRMUNANHRBLFBF-INIZCTEOSA-N 1 0 271.408 3.784 50 0 CHAARO CC1(C)[C@H]([NH2+]CCc2ccccn2)C[C@H]1c1ccccc1 ZINC000096009130 185063975 /nfs/dbraw/zinc/06/39/75/185063975.db2.gz FTXAAYUKEPUHMN-ZWKOTPCHSA-N 1 0 280.415 3.796 50 0 CHAARO Clc1cccc(Cc2cnc([C@@H]3CCCC[NH2+]3)o2)c1 ZINC000096032184 185067409 /nfs/dbraw/zinc/06/74/09/185067409.db2.gz LJSQCUJIFSBJLP-AWEZNQCLSA-N 1 0 276.767 3.733 50 0 CHAARO Clc1cccc(Cl)c1SC[C@H]1CCC[NH2+]1 ZINC000083308935 178380130 /nfs/dbraw/zinc/38/01/30/178380130.db2.gz LXDXYSHOVORJLN-MRVPVSSYSA-N 1 0 262.205 3.838 50 0 CHAARO C[NH+](C)CCOc1ccccc1-c1cccc2cccnc21 ZINC000096149116 185107442 /nfs/dbraw/zinc/10/74/42/185107442.db2.gz UEUNJHLELOIMTK-UHFFFAOYSA-N 1 0 292.382 3.842 50 0 CHAARO c1cc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)c[nH]1 ZINC000086251110 179256024 /nfs/dbraw/zinc/25/60/24/179256024.db2.gz FIWUIKCFWGIILD-UHFFFAOYSA-N 1 0 292.382 3.884 50 0 CHAARO CCCC(CCC)[NH2+]CCn1cnc2ccccc21 ZINC000089949504 179891596 /nfs/dbraw/zinc/89/15/96/179891596.db2.gz FNOOCLJPGRQNHV-UHFFFAOYSA-N 1 0 259.397 3.595 50 0 CHAARO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000106521601 186124022 /nfs/dbraw/zinc/12/40/22/186124022.db2.gz KGAQXFONLOFKIA-LSDHHAIUSA-N 1 0 296.414 3.899 50 0 CHAARO O=[N+]1C(c2cc3ccccc3o2)=CN(O)[C@@H]2CCCC[C@H]21 ZINC000334157209 206120006 /nfs/dbraw/zinc/12/00/06/206120006.db2.gz UABKPNBWBBZDMR-CHWSQXEVSA-N 1 0 285.323 3.526 50 0 CHAARO O=[N+]1C(c2cc3ccccc3o2)=CN(O)[C@H]2CCCC[C@H]21 ZINC000334157211 206120941 /nfs/dbraw/zinc/12/09/41/206120941.db2.gz UABKPNBWBBZDMR-QWHCGFSZSA-N 1 0 285.323 3.526 50 0 CHAARO Cc1cc(C)n(CC[N@@H+]2CCCCC[C@H]2c2ccco2)n1 ZINC000265661126 190197789 /nfs/dbraw/zinc/19/77/89/190197789.db2.gz XFRDATIBNSXGPE-INIZCTEOSA-N 1 0 287.407 3.710 50 0 CHAARO C[NH2+][C@H](CN1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000022029083 184536465 /nfs/dbraw/zinc/53/64/65/184536465.db2.gz CFHKBGMDNLXECQ-LJQANCHMSA-N 1 0 280.415 3.710 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(F)c(Cl)c1 ZINC000226560346 256853007 /nfs/dbraw/zinc/85/30/07/256853007.db2.gz OZHYFDOAVRFVAF-LLVKDONJSA-N 1 0 293.769 3.822 50 0 CHAARO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C2CCOCC2)cc1 ZINC000095420544 184975971 /nfs/dbraw/zinc/97/59/71/184975971.db2.gz USOLXJDNKUSQBJ-OAHLLOKOSA-N 1 0 291.435 3.564 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000002497450 169795896 /nfs/dbraw/zinc/79/58/96/169795896.db2.gz SLKXXSXUKFOWKK-KGLIPLIRSA-N 1 0 281.415 3.676 50 0 CHAARO CN(C)c1cc[n+](C(c2ccccc2)c2ccccc2)cc1 ZINC000004529325 169977788 /nfs/dbraw/zinc/97/77/88/169977788.db2.gz GVDSKOWNTINJRD-UHFFFAOYSA-N 1 0 289.402 3.678 50 0 CHAARO CCOc1c(C[NH2+]Cc2ccc(F)cc2)cccc1OC ZINC000004657557 169994153 /nfs/dbraw/zinc/99/41/53/169994153.db2.gz HDHIIQHMXNPICW-UHFFFAOYSA-N 1 0 289.350 3.523 50 0 CHAARO COc1ccccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000004700525 170001462 /nfs/dbraw/zinc/00/14/62/170001462.db2.gz FNMJEHAPYJKVDI-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO Cc1cc(C)cc(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004724649 170005975 /nfs/dbraw/zinc/00/59/75/170005975.db2.gz OCLHVHHCVCPPFH-HOTGVXAUSA-N 1 0 288.435 3.610 50 0 CHAARO CC1CC[NH+](CCOCCSc2ccccc2)CC1 ZINC000004869107 170033898 /nfs/dbraw/zinc/03/38/98/170033898.db2.gz CHKIMSMFBLOQGT-UHFFFAOYSA-N 1 0 279.449 3.527 50 0 CHAARO COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1OC ZINC000004891816 170036948 /nfs/dbraw/zinc/03/69/48/170036948.db2.gz MXBNOXVVADBBNM-KRWDZBQOSA-N 1 0 297.398 3.871 50 0 CHAARO CCC1CCC([NH2+]CCc2ccc(OC)cc2)CC1 ZINC000004986218 170049210 /nfs/dbraw/zinc/04/92/10/170049210.db2.gz SMPMQCLCUXPREI-UHFFFAOYSA-N 1 0 261.409 3.796 50 0 CHAARO C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000004989535 170050005 /nfs/dbraw/zinc/05/00/05/170050005.db2.gz RBOBTSNPUDJFPQ-LPHOPBHVSA-N 1 0 286.463 3.819 50 0 CHAARO CC[NH+](CC)CCOc1ccc(Cl)cc1Cl ZINC000004989636 170050302 /nfs/dbraw/zinc/05/03/02/170050302.db2.gz KPLHBOYECFJBDW-UHFFFAOYSA-N 1 0 262.180 3.714 50 0 CHAARO CC[NH+](CC)CCOc1cc(Cl)ccc1Cl ZINC000005024007 170057256 /nfs/dbraw/zinc/05/72/56/170057256.db2.gz KFFYLYJVVNDKJT-UHFFFAOYSA-N 1 0 262.180 3.714 50 0 CHAARO C[NH2+][C@@H](C)Cc1ccccc1Sc1ccccc1 ZINC000005747163 170136113 /nfs/dbraw/zinc/13/61/13/170136113.db2.gz HOPYVEWIFRKSQV-ZDUSSCGKSA-N 1 0 257.402 3.988 50 0 CHAARO CCCCNc1c2ccccc2[nH+]c2c1[C@@H](O)CC(C)(C)C2 ZINC000006569721 170214153 /nfs/dbraw/zinc/21/41/53/170214153.db2.gz LFWFLIANIUXLHX-INIZCTEOSA-N 1 0 298.430 3.875 50 0 CHAARO CCc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000006645700 170221928 /nfs/dbraw/zinc/22/19/28/170221928.db2.gz DFIRNEWUMYFSCL-MRXNPFEDSA-N 1 0 264.372 3.821 50 0 CHAARO Cc1nc(C[NH2+]CC23CC4CC(CC(C4)C2)C3)cs1 ZINC000006651077 170222361 /nfs/dbraw/zinc/22/23/61/170222361.db2.gz ZWAQXTVLGMNDEC-UHFFFAOYSA-N 1 0 276.449 3.758 50 0 CHAARO CCOc1cc(C[NH2+]C2CC2)ccc1OCc1ccccc1 ZINC000006662799 170223599 /nfs/dbraw/zinc/22/35/99/170223599.db2.gz SCFUZZIGERORGG-UHFFFAOYSA-N 1 0 297.398 3.916 50 0 CHAARO CCC[N@@H+](Cc1ccc(OC)c(C)c1OC)CC1CC1 ZINC000006667534 170224258 /nfs/dbraw/zinc/22/42/58/170224258.db2.gz WMCXZBYQOAKBMK-UHFFFAOYSA-N 1 0 277.408 3.634 50 0 CHAARO CCOc1cccc(C[NH2+]C)c1OCc1ccc(C)cc1 ZINC000006743163 170238456 /nfs/dbraw/zinc/23/84/56/170238456.db2.gz IIKAZLMBWWWSDT-UHFFFAOYSA-N 1 0 285.387 3.692 50 0 CHAARO Brc1csc(C[NH2+]Cc2ccccc2)c1 ZINC000006787325 170243531 /nfs/dbraw/zinc/24/35/31/170243531.db2.gz JKMXHZNPYCHJSJ-UHFFFAOYSA-N 1 0 282.206 3.800 50 0 CHAARO Brc1ccc(C[n+]2ccc3ccccc3c2)cc1 ZINC000007714877 170298994 /nfs/dbraw/zinc/29/89/94/170298994.db2.gz AIJQPGJXIFUJKH-UHFFFAOYSA-N 1 0 299.191 3.938 50 0 CHAARO Cc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000008550076 170339646 /nfs/dbraw/zinc/33/96/46/170339646.db2.gz YNRJYAZETVKSFN-UHFFFAOYSA-N 1 0 255.405 3.909 50 0 CHAARO Cc1cccc2c(=O)c(C[N@H+]3CCCC[C@@H]3C)c(C)[nH]c12 ZINC000008714600 170348751 /nfs/dbraw/zinc/34/87/51/170348751.db2.gz BKKMOZKDUDRLCS-ZDUSSCGKSA-N 1 0 284.403 3.932 50 0 biogenic,in-vitro CHAARO C[C@H](C[NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000010475190 170408334 /nfs/dbraw/zinc/40/83/34/170408334.db2.gz ZKCWONYBMYHMMY-CQSZACIVSA-N 1 0 257.352 3.762 50 0 CHAARO c1ccc(-c2ccc(COC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631118 170640301 /nfs/dbraw/zinc/64/03/01/170640301.db2.gz SLINNCCMERCMOC-QGZVFWFLSA-N 1 0 281.399 3.870 50 0 CHAARO Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019831616 170882547 /nfs/dbraw/zinc/88/25/47/170882547.db2.gz KUMNLLUQVVTQEH-HKUYNNGSSA-N 1 0 286.463 3.691 50 0 CHAARO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000020027997 170973395 /nfs/dbraw/zinc/97/33/95/170973395.db2.gz OKTLQXOVKNSJAJ-SFHVURJKSA-N 1 0 294.398 3.570 50 0 CHAARO C[C@H]1C[NH+](CCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000020167424 171040988 /nfs/dbraw/zinc/04/09/88/171040988.db2.gz DFVNXPWWTNMKPT-STQMWFEESA-N 1 0 299.867 3.931 50 0 CHAARO Cc1cccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000020166717 171041046 /nfs/dbraw/zinc/04/10/46/171041046.db2.gz UXWMOFDKRIUWHZ-UHFFFAOYSA-N 1 0 298.405 3.984 50 0 CHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2F)c1 ZINC000020187631 171052772 /nfs/dbraw/zinc/05/27/72/171052772.db2.gz OAUKGJJFUZMVFQ-LBPRGKRZSA-N 1 0 286.350 3.635 50 0 CHAARO COc1ccc([C@@H]([NH3+])c2ccccc2)cc1Br ZINC000020522143 171235486 /nfs/dbraw/zinc/23/54/86/171235486.db2.gz LFKWMXRUUQRHBU-AWEZNQCLSA-N 1 0 292.176 3.506 50 0 CHAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000020781365 171272920 /nfs/dbraw/zinc/27/29/20/171272920.db2.gz IMUZFWJHEOFWSL-GOSISDBHSA-N 1 0 297.446 3.969 50 0 CHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000021720719 171320531 /nfs/dbraw/zinc/32/05/31/171320531.db2.gz SYBOPPSFGISSKD-HNNXBMFYSA-N 1 0 256.349 3.629 50 0 CHAARO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000022197651 171372160 /nfs/dbraw/zinc/37/21/60/171372160.db2.gz CQAZTFFHPNQMJB-LLVKDONJSA-N 1 0 298.789 3.540 50 0 CHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCCCC1 ZINC000035161734 172021269 /nfs/dbraw/zinc/02/12/69/172021269.db2.gz JVELNROASIOTSO-UHFFFAOYSA-N 1 0 283.419 3.911 50 0 CHAARO Cc1ccc([C@@H]([NH2+]Cc2ccccn2)C2CC2)cc1 ZINC000035257381 172088155 /nfs/dbraw/zinc/08/81/55/172088155.db2.gz YNCHBOPMVWIFHC-QGZVFWFLSA-N 1 0 252.361 3.631 50 0 CHAARO [NH3+]Cc1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000035719859 172373806 /nfs/dbraw/zinc/37/38/06/172373806.db2.gz RMAYRKSZIPLOID-UHFFFAOYSA-N 1 0 269.131 3.639 50 0 CHAARO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000037321144 173122205 /nfs/dbraw/zinc/12/22/05/173122205.db2.gz QTVQWACWDSTERV-CABCVRRESA-N 1 0 287.428 3.808 50 0 CHAARO Cc1cc(Br)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042773786 174872672 /nfs/dbraw/zinc/87/26/72/174872672.db2.gz CORVFSZBCFMOHE-LBPRGKRZSA-N 1 0 298.224 3.526 50 0 CHAARO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3[NH3+])cc1 ZINC000047218872 175405257 /nfs/dbraw/zinc/40/52/57/175405257.db2.gz ZWZWJABZNNTAJU-HNNXBMFYSA-N 1 0 269.392 3.506 50 0 CHAARO C[N@H+]1CC=C(c2c[nH]c3cc(Br)ccc32)CC1 ZINC000071613946 176233572 /nfs/dbraw/zinc/23/35/72/176233572.db2.gz ZJHSPAMSFOLWGE-UHFFFAOYSA-N 1 0 291.192 3.649 50 0 CHAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ccccn2)c1 ZINC000071749641 176259370 /nfs/dbraw/zinc/25/93/70/176259370.db2.gz IGLQJQPHLOAMRU-INIZCTEOSA-N 1 0 282.387 3.529 50 0 CHAARO CSc1cccc([C@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000071790395 176262798 /nfs/dbraw/zinc/26/27/98/176262798.db2.gz LVQVJODXVMBRLF-AWEZNQCLSA-N 1 0 265.328 3.735 50 0 CHAARO CCn1nc(C)c(C[N@@H+]2CCCC[C@H]2c2ccccn2)c1C ZINC000072125267 176320630 /nfs/dbraw/zinc/32/06/30/176320630.db2.gz QNPDWVMUFFNFQX-SFHVURJKSA-N 1 0 298.434 3.642 50 0 CHAARO Fc1ccc(N2CCC[N@H+](Cc3cccs3)CC2)cc1 ZINC000072164874 176331170 /nfs/dbraw/zinc/33/11/70/176331170.db2.gz NEGBLSSFGWIJST-UHFFFAOYSA-N 1 0 290.407 3.600 50 0 CHAARO C[C@@H]([NH2+]Cc1cnc2ccccn12)c1cccc(Cl)c1 ZINC000072272614 176355118 /nfs/dbraw/zinc/35/51/18/176355118.db2.gz BRDFJVXAMZNQBB-GFCCVEGCSA-N 1 0 285.778 3.839 50 0 CHAARO COCCC[C@H]1CCCC[N@@H+]1Cc1csc(C(C)=O)c1 ZINC000077288156 177249335 /nfs/dbraw/zinc/24/93/35/177249335.db2.gz AJNZQMQJEZUZTD-OAHLLOKOSA-N 1 0 295.448 3.732 50 0 CHAARO Cc1ccc(-c2nc(CC[NH2+]Cc3ccco3)co2)cc1 ZINC000078552477 177353444 /nfs/dbraw/zinc/35/34/44/177353444.db2.gz RZKYVXYLXFSGFC-UHFFFAOYSA-N 1 0 282.343 3.575 50 0 CHAARO Cc1ccc(SCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016488746 260099347 /nfs/dbraw/zinc/09/93/47/260099347.db2.gz IZURCORKMWHCCJ-GASCZTMLSA-N 1 0 279.449 3.586 50 0 CHAARO Cc1c(C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)cnn1C ZINC000090888183 260263186 /nfs/dbraw/zinc/26/31/86/260263186.db2.gz GVJLDNOYTKRYPR-TVQRCGJNSA-N 1 0 293.461 3.505 50 0 CHAARO Cc1nccn1CC[C@@H](C)[NH2+]C1(Cc2ccc(C)cc2)CC1 ZINC000534581268 328311703 /nfs/dbraw/zinc/31/17/03/328311703.db2.gz SZVDCESZYIPVTF-MRXNPFEDSA-N 1 0 297.446 3.643 50 0 CHAARO C[C@H](c1cccc(-c2ccc(=O)[nH]c2)c1)[NH+]1CCCC1 ZINC000534584982 328315011 /nfs/dbraw/zinc/31/50/11/328315011.db2.gz UIVHPQWBOOMSJD-CYBMUJFWSA-N 1 0 268.360 3.611 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC000019871877 326857402 /nfs/dbraw/zinc/85/74/02/326857402.db2.gz IIIZQVIHVSROJK-WBMJQRKESA-N 1 0 275.779 3.552 50 0 CHAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCCCCC2)c1 ZINC000000176310 518188522 /nfs/dbraw/zinc/18/85/22/518188522.db2.gz CIXVXDGXKMAGHG-UHFFFAOYSA-N 1 0 274.408 3.508 50 0 CHAARO CCOc1ccccc1C[NH2+]CCc1ccc(F)cc1 ZINC000019871751 521502275 /nfs/dbraw/zinc/50/22/75/521502275.db2.gz LDKYYVXWLNOFAL-UHFFFAOYSA-N 1 0 273.351 3.557 50 0 CHAARO CCc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000003001018 567850812 /nfs/dbraw/zinc/85/08/12/567850812.db2.gz FFGFBFXQGVHHDH-UHFFFAOYSA-N 1 0 261.409 3.894 50 0 CHAARO CCc1cc(CCC[NH2+][C@@H](C)c2csc(CC)n2)on1 ZINC000242263333 566826456 /nfs/dbraw/zinc/82/64/56/566826456.db2.gz XYEZXIDFMOQSLD-NSHDSACASA-N 1 0 293.436 3.539 50 0 CHAARO CC(C)(C)OC(=O)CCC(C)(C)[NH2+]Cc1cccs1 ZINC000079051413 566830327 /nfs/dbraw/zinc/83/03/27/566830327.db2.gz LGPOCFNRHSUFBG-UHFFFAOYSA-N 1 0 283.437 3.738 50 0 CHAARO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)o1 ZINC000034993693 566842510 /nfs/dbraw/zinc/84/25/10/566842510.db2.gz WQMBISOSEBWQNM-AWEZNQCLSA-N 1 0 281.359 3.625 50 0 CHAARO C[C@H](c1cccnc1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000183730955 566842769 /nfs/dbraw/zinc/84/27/69/566842769.db2.gz HUXVSBNYTDQPCP-CYBMUJFWSA-N 1 0 265.360 3.756 50 0 CHAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC)C2)o1 ZINC000299772622 566853945 /nfs/dbraw/zinc/85/39/45/566853945.db2.gz AGKBCSPILYUEJH-CQSZACIVSA-N 1 0 287.407 3.507 50 0 CHAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]([NH3+])CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000004027498 566855216 /nfs/dbraw/zinc/85/52/16/566855216.db2.gz WMEBIWWUBWHAOJ-MQJSTHQHSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO C[C@H](c1ccccc1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000084656501 566884609 /nfs/dbraw/zinc/88/46/09/566884609.db2.gz JPNZJIZHVVWEDW-OAHLLOKOSA-N 1 0 266.388 3.700 50 0 CHAARO Cc1c2ccccc2n2c1[C@H](c1ccccc1)[NH2+]CC2 ZINC000053151232 566888551 /nfs/dbraw/zinc/88/85/51/566888551.db2.gz JVXQRIWBIYJXBI-KRWDZBQOSA-N 1 0 262.356 3.642 50 0 CHAARO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2)C12CCCCC2 ZINC000075092251 566936461 /nfs/dbraw/zinc/93/64/61/566936461.db2.gz IIRGZAREOFZPFD-IRXDYDNUSA-N 1 0 289.419 3.610 50 0 CHAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000224082138 566950839 /nfs/dbraw/zinc/95/08/39/566950839.db2.gz ADQAWJJCVOTDOE-KZNAEPCWSA-N 1 0 276.468 3.539 50 0 CHAARO C[C@H]1[C@H](O)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000239305972 566965953 /nfs/dbraw/zinc/96/59/53/566965953.db2.gz GGCLDJYYOISOSI-CTMNZFAUSA-N 1 0 281.399 3.705 50 0 CHAARO C[C@H]1[C@H](O)[C@@H](C)[C@@H](c2cccs2)[NH2+][C@H]1c1cccs1 ZINC000239562563 566966869 /nfs/dbraw/zinc/96/68/69/566966869.db2.gz CPNYMZKNSCYTRC-LUAZQSQASA-N 1 0 293.457 3.828 50 0 CHAARO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000521394097 566976689 /nfs/dbraw/zinc/97/66/89/566976689.db2.gz JDUVRNMVYUITBU-PVUWLOKVSA-N 1 0 277.383 3.682 50 0 CHAARO Cc1nn(C)cc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426420278 566988919 /nfs/dbraw/zinc/98/89/19/566988919.db2.gz VQBBKDNCOYJWOC-CQSZACIVSA-N 1 0 269.392 3.552 50 0 CHAARO Cc1ccnc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426723861 566991570 /nfs/dbraw/zinc/99/15/70/566991570.db2.gz KCIATYPFENBGBJ-CQSZACIVSA-N 1 0 267.376 3.609 50 0 CHAARO CC[C@](C)([NH2+]CC[C@H]1CCCCO1)c1nc(C)cs1 ZINC000170076836 567005778 /nfs/dbraw/zinc/00/57/78/567005778.db2.gz QQIAVNYMQSXZIM-HIFRSBDPSA-N 1 0 282.453 3.626 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000065473225 567008492 /nfs/dbraw/zinc/00/84/92/567008492.db2.gz AKRAPELHNVXLPI-MRXNPFEDSA-N 1 0 289.810 3.921 50 0 CHAARO C[C@H]1CC[C@@H](C[NH2+]C2(c3ccc(F)cc3F)CCCC2)O1 ZINC000170608594 567013610 /nfs/dbraw/zinc/01/36/10/567013610.db2.gz PVOVHZVENKVSNS-JSGCOSHPSA-N 1 0 295.373 3.891 50 0 CHAARO CC(C)(C)C1CCC([NH2+]CCCOC[C@H]2CCOC2)CC1 ZINC000170642688 567056496 /nfs/dbraw/zinc/05/64/96/567056496.db2.gz VWNUBGWQJYKHIB-KLAILNCOSA-N 1 0 297.483 3.624 50 0 CHAARO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(C)c(C)cc2C)cc1 ZINC000170646612 567062542 /nfs/dbraw/zinc/06/25/42/567062542.db2.gz RQNPIPBFNNWOLR-IBGZPJMESA-N 1 0 283.415 3.743 50 0 CHAARO C[NH+](C)CC[C@H]1Cc2ccc(F)cc2C(=O)c2ccccc21 ZINC000019865046 567088554 /nfs/dbraw/zinc/08/85/54/567088554.db2.gz AJDSKAIDFXGPJF-AWEZNQCLSA-N 1 0 297.373 3.648 50 0 CHAARO CC[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000253424800 567098281 /nfs/dbraw/zinc/09/82/81/567098281.db2.gz KYAICWIVWVWVMJ-QLOLRVAOSA-N 1 0 273.420 3.654 50 0 CHAARO Fc1ccc(OCCCCCC[NH+]2CCSCC2)cc1 ZINC000002314155 567100204 /nfs/dbraw/zinc/10/02/04/567100204.db2.gz XVHFEZGDLOZWRO-UHFFFAOYSA-N 1 0 297.439 3.814 50 0 CHAARO C[NH2+][C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000261361093 567118233 /nfs/dbraw/zinc/11/82/33/567118233.db2.gz HWRBGLOICMEQJI-QGZVFWFLSA-N 1 0 282.387 3.709 50 0 CHAARO C[C@@H]1CC2=C(C[C@H]1C[NH+]1CCN(C)CC1)C(C)(C)CCC2 ZINC000019703376 567121871 /nfs/dbraw/zinc/12/18/71/567121871.db2.gz DNZOJJXQVWDKTC-WBVHZDCISA-N 1 0 290.495 3.787 50 0 biogenic CHAARO CC(=O)Nc1ccccc1C[N@@H+](C[C@@H]1C[C@@H]1C)C(C)C ZINC000093661793 567122637 /nfs/dbraw/zinc/12/26/37/567122637.db2.gz XXXLBZURADZAMR-BBRMVZONSA-N 1 0 274.408 3.511 50 0 CHAARO C[C@H](CC[C@@H]1CCCO1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415435 567130761 /nfs/dbraw/zinc/13/07/61/567130761.db2.gz APIFIPSYFVBPMC-OCCSQVGLSA-N 1 0 294.464 3.848 50 0 CHAARO CCSc1ccc([C@@H](C)[NH2+]C2CCOCC2)cc1 ZINC000095421780 567130835 /nfs/dbraw/zinc/13/08/35/567130835.db2.gz CFXCNGFCHNLBFQ-GFCCVEGCSA-N 1 0 265.422 3.628 50 0 CHAARO COc1ccc(C[NH2+][C@H](C)c2ccc(C)s2)s1 ZINC000095418512 567131626 /nfs/dbraw/zinc/13/16/26/567131626.db2.gz GIKXYOPWYYGJGP-SNVBAGLBSA-N 1 0 267.419 3.977 50 0 CHAARO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000095460378 567133554 /nfs/dbraw/zinc/13/35/54/567133554.db2.gz OHPNIQDMLSLDPM-KUHUBIRLSA-N 1 0 284.447 3.526 50 0 CHAARO Cc1cc(NC[C@@H]2CCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000095458012 567134683 /nfs/dbraw/zinc/13/46/83/567134683.db2.gz ZFRBPGDWGDAJRV-ZIAGYGMSSA-N 1 0 270.376 3.770 50 0 CHAARO CCCC[NH+]1CCN(c2ccccc2SCC)CC1 ZINC000096026630 567138300 /nfs/dbraw/zinc/13/83/00/567138300.db2.gz FOOBSEINSXQYFP-UHFFFAOYSA-N 1 0 278.465 3.721 50 0 CHAARO C[NH+](C)CCCN(Cc1cccs1)c1ccccc1 ZINC000096027976 567138393 /nfs/dbraw/zinc/13/83/93/567138393.db2.gz RNUDDEGCFZNQRS-UHFFFAOYSA-N 1 0 274.433 3.706 50 0 CHAARO C[NH+](C)CCCOC1(c2ccccc2)CCCCC1 ZINC000096026671 567139164 /nfs/dbraw/zinc/13/91/64/567139164.db2.gz YMXMSWXYZPHHMD-UHFFFAOYSA-N 1 0 261.409 3.814 50 0 CHAARO C[N@H+](Cc1cccnc1)Cc1cccc(-c2cccnc2)c1 ZINC000097058631 567143961 /nfs/dbraw/zinc/14/39/61/567143961.db2.gz KUYYKWTXRXZTFS-UHFFFAOYSA-N 1 0 289.382 3.776 50 0 CHAARO CCCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000057095786 567155158 /nfs/dbraw/zinc/15/51/58/567155158.db2.gz FVGXVARSBZSODC-WRFANHODSA-N 1 0 292.467 3.706 50 0 CHAARO CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000029951975 567160451 /nfs/dbraw/zinc/16/04/51/567160451.db2.gz VVOHFVZEJRCXRL-SFHVURJKSA-N 1 0 296.414 3.881 50 0 CHAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1 ZINC000003172192 567162405 /nfs/dbraw/zinc/16/24/05/567162405.db2.gz ANDVCSYZBRZFJU-ZFWWWQNUSA-N 1 0 295.810 3.617 50 0 CHAARO C[NH+](C)C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(Cl)cc1 ZINC000003172189 567163267 /nfs/dbraw/zinc/16/32/67/567163267.db2.gz ANDVCSYZBRZFJU-DZGCQCFKSA-N 1 0 295.810 3.617 50 0 CHAARO Cc1ncc(C[N@@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000670446018 567176742 /nfs/dbraw/zinc/17/67/42/567176742.db2.gz QKVILWRFDCAFRW-GOSISDBHSA-N 1 0 283.419 3.518 50 0 CHAARO c1cc(C[NH2+]C2CCCCC2)n(-c2ccccc2)c1 ZINC000000033052 567816651 /nfs/dbraw/zinc/81/66/51/567816651.db2.gz ROIYMBVAWKSTIT-UHFFFAOYSA-N 1 0 254.377 3.900 50 0 CHAARO C[NH2+][C@H](C)CN1c2ccccc2Sc2ccccc21 ZINC000000083388 567817730 /nfs/dbraw/zinc/81/77/30/567817730.db2.gz IJOZCCILCJIHOA-GFCCVEGCSA-N 1 0 270.401 3.897 50 0 in-vitro CHAARO Cc1c(Cl)cccc1NC(=O)CC[N@H+]1CCC[C@H](C)C1 ZINC000000176199 567821390 /nfs/dbraw/zinc/82/13/90/567821390.db2.gz AQYOJUSOIYQPOJ-LBPRGKRZSA-N 1 0 294.826 3.709 50 0 CHAARO CCOc1ccc(CNc2ccc3c(c2)[nH+]c(C)n3C)cc1 ZINC000000239189 567822809 /nfs/dbraw/zinc/82/28/09/567822809.db2.gz VGXKZZJKZUGZQX-UHFFFAOYSA-N 1 0 295.386 3.893 50 0 CHAARO CC(C)Oc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000000288908 567823931 /nfs/dbraw/zinc/82/39/31/567823931.db2.gz LXLNQDXQTIDKMZ-OAHLLOKOSA-N 1 0 277.408 3.521 50 0 biogenic CHAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@@H]1C ZINC000000343278 567826004 /nfs/dbraw/zinc/82/60/04/567826004.db2.gz HBBYVYNODQXLEK-AWEZNQCLSA-N 1 0 254.377 3.974 50 0 CHAARO [NH2+]=c1c2c(n(Cc3ccc(Cl)cc3)c3c1CCC3)CCC2 ZINC000000478453 567832747 /nfs/dbraw/zinc/83/27/47/567832747.db2.gz OYOPDPNOZYCMMQ-UHFFFAOYSA-N 1 0 298.817 3.647 50 0 CHAARO Fc1ccc(N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000000757074 567834709 /nfs/dbraw/zinc/83/47/09/567834709.db2.gz URYRJXVQMAPTTF-UHFFFAOYSA-N 1 0 276.399 3.671 50 0 CHAARO CCc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000001227292 567836522 /nfs/dbraw/zinc/83/65/22/567836522.db2.gz DXKZPRZZMRQJBI-UHFFFAOYSA-N 1 0 294.442 3.880 50 0 CHAARO O=C1CCCC[C@@]1([NH2+]CC1CC1)c1ccccc1Cl ZINC000096027869 567836728 /nfs/dbraw/zinc/83/67/28/567836728.db2.gz YFQQMKUESHERIX-MRXNPFEDSA-N 1 0 277.795 3.678 50 0 CHAARO Fc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000001848107 567843417 /nfs/dbraw/zinc/84/34/17/567843417.db2.gz GNAOYSCNQZGVBP-UHFFFAOYSA-N 1 0 268.335 3.639 50 0 biogenic CHAARO CCCCOc1ccc(CSCC[NH3+])cc1Cl ZINC000001810730 567843507 /nfs/dbraw/zinc/84/35/07/567843507.db2.gz VYDAOQRVAOEGAW-UHFFFAOYSA-N 1 0 273.829 3.711 50 0 CHAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000002514547 567846373 /nfs/dbraw/zinc/84/63/73/567846373.db2.gz YTFCJRMAWOOWPC-UHFFFAOYSA-N 1 0 279.383 3.822 50 0 CHAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1F ZINC000002514575 567846416 /nfs/dbraw/zinc/84/64/16/567846416.db2.gz RVBRWQXILHFKBR-UHFFFAOYSA-N 1 0 283.346 3.653 50 0 CHAARO COc1cc(C)c(C[NH2+]CCc2ccc(F)cc2)cc1C ZINC000002737245 567849265 /nfs/dbraw/zinc/84/92/65/567849265.db2.gz VFWFZVPMAOOPEA-UHFFFAOYSA-N 1 0 287.378 3.783 50 0 CHAARO CC[NH+](CC)CCOCCOc1cc(C(C)C)ccc1C ZINC000003000482 567851020 /nfs/dbraw/zinc/85/10/20/567851020.db2.gz NMTAPEFXWRVOCX-UHFFFAOYSA-N 1 0 293.451 3.856 50 0 CHAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1F ZINC000003904960 567854398 /nfs/dbraw/zinc/85/43/98/567854398.db2.gz RVQIYLDWJBKUAL-MELADBBJSA-N 1 0 293.382 3.634 50 0 CHAARO C[NH+](C)CCOC1c2ccccc2C=Cc2ccccc21 ZINC000004167830 567855627 /nfs/dbraw/zinc/85/56/27/567855627.db2.gz DUONCNQHPXEHDQ-UHFFFAOYSA-N 1 0 279.383 3.838 50 0 CHAARO Clc1ccc(C[NH2+]Cc2cccnc2)cc1Cl ZINC000004413480 567857365 /nfs/dbraw/zinc/85/73/65/567857365.db2.gz HVVCLQYSDJBBES-UHFFFAOYSA-N 1 0 267.159 3.678 50 0 CHAARO C[NH2+]CCO[C@]1(c2ccccc2C)CCCC[C@@H]1C ZINC000004655645 567858369 /nfs/dbraw/zinc/85/83/69/567858369.db2.gz PGWSTYAZLHDNFQ-DOTOQJQBSA-N 1 0 261.409 3.636 50 0 CHAARO C[NH2+]CCO[C@]1(c2ccccc2C)CCCC[C@H]1C ZINC000004655647 567858643 /nfs/dbraw/zinc/85/86/43/567858643.db2.gz PGWSTYAZLHDNFQ-NVXWUHKLSA-N 1 0 261.409 3.636 50 0 CHAARO C/C=C(\C)CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000584904429 567860037 /nfs/dbraw/zinc/86/00/37/567860037.db2.gz XQVHUDAFCAUCJH-ARINDLOOSA-N 1 0 276.468 3.682 50 0 CHAARO CCOc1c(Cl)cc(C[NH2+]C(C)C)cc1Cl ZINC000010436469 567861906 /nfs/dbraw/zinc/86/19/06/567861906.db2.gz IWPNYVXIBSYKET-UHFFFAOYSA-N 1 0 262.180 3.890 50 0 CHAARO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000012584658 567863340 /nfs/dbraw/zinc/86/33/40/567863340.db2.gz NDWCHZVKDYKROF-ZDUSSCGKSA-N 1 0 289.444 3.856 50 0 CHAARO Cc1cc(C)c2oc(=O)cc(C[N@H+]3CCCC[C@H]3C)c2c1 ZINC000004340540 567863611 /nfs/dbraw/zinc/86/36/11/567863611.db2.gz VWTDWWJXPHNTEY-CQSZACIVSA-N 1 0 285.387 3.784 50 0 CHAARO C[N@H+](Cc1cc(Cl)cc2c1OCOC2)C1CCCCC1 ZINC000032668122 567864297 /nfs/dbraw/zinc/86/42/97/567864297.db2.gz DRRCGFUXZNWWED-UHFFFAOYSA-N 1 0 295.810 3.971 50 0 CHAARO c1ccc2cc(OCC[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000014632344 567869614 /nfs/dbraw/zinc/86/96/14/567869614.db2.gz SQKQNHUVSJLWMO-MRXNPFEDSA-N 1 0 255.361 3.751 50 0 CHAARO CC[C@@H](C)c1ccccc1OCCCn1ccnc1 ZINC000016193395 567872366 /nfs/dbraw/zinc/87/23/66/567872366.db2.gz QRJSKSCVCZQPAQ-CQSZACIVSA-N 1 0 258.365 3.866 50 0 CHAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000016695698 567873822 /nfs/dbraw/zinc/87/38/22/567873822.db2.gz HQVRDTIOJOQVGL-OAHLLOKOSA-N 1 0 295.810 3.971 50 0 CHAARO Cc1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)cn1 ZINC000019222288 567877138 /nfs/dbraw/zinc/87/71/38/567877138.db2.gz FKIMMZPIDXYXOX-UHFFFAOYSA-N 1 0 298.405 3.984 50 0 CHAARO CC(C)c1cccc(C(C)C)c1OCCN1CCOCC1 ZINC000019637874 567878094 /nfs/dbraw/zinc/87/80/94/567878094.db2.gz NDTNJULLLQXYPM-UHFFFAOYSA-N 1 0 291.435 3.644 50 0 CHAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000019744319 567878727 /nfs/dbraw/zinc/87/87/27/567878727.db2.gz OXZUQRGFRUVTHX-HNNXBMFYSA-N 1 0 287.407 3.581 50 0 CHAARO CCCCCCOc1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000019737902 567878865 /nfs/dbraw/zinc/87/88/65/567878865.db2.gz PXLSEKFYYRXMSB-QGZVFWFLSA-N 1 0 291.435 3.914 50 0 CHAARO CC(C)COc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000019738001 567878902 /nfs/dbraw/zinc/87/89/02/567878902.db2.gz QXRZDOQAYBRZGU-UHFFFAOYSA-N 1 0 259.349 3.604 50 0 CHAARO Fc1ccccc1CC1CC[NH+](Cc2cccnc2)CC1 ZINC000019782491 567879038 /nfs/dbraw/zinc/87/90/38/567879038.db2.gz SMNFZIXZTPJFCJ-UHFFFAOYSA-N 1 0 284.378 3.675 50 0 CHAARO CC1CCC(N2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000019790114 567879164 /nfs/dbraw/zinc/87/91/64/567879164.db2.gz SOZFAPALWISQBU-ADKAHSJRSA-N 1 0 276.468 3.539 50 0 CHAARO Clc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000019788649 567879271 /nfs/dbraw/zinc/87/92/71/567879271.db2.gz DAYPHYDOPIRMCD-UHFFFAOYSA-N 1 0 292.854 3.790 50 0 CHAARO CCC(CC)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019884044 567879634 /nfs/dbraw/zinc/87/96/34/567879634.db2.gz CLIDQWFSHFNJCF-UHFFFAOYSA-N 1 0 274.177 3.866 50 0 CHAARO CCCCC[NH2+]Cc1cc(Br)ccc1F ZINC000019901222 567879673 /nfs/dbraw/zinc/87/96/73/567879673.db2.gz DDNYLUJOLSBDGP-UHFFFAOYSA-N 1 0 274.177 3.868 50 0 CHAARO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(F)cc1 ZINC000019957867 567880229 /nfs/dbraw/zinc/88/02/29/567880229.db2.gz PGRKEHDQDLLYOH-KRWDZBQOSA-N 1 0 280.346 3.851 50 0 CHAARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cccs1 ZINC000023650140 567882169 /nfs/dbraw/zinc/88/21/69/567882169.db2.gz WOXRCIZWECJOQA-UHFFFAOYSA-N 1 0 270.401 3.870 50 0 CHAARO CCCc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1 ZINC000024988356 567882752 /nfs/dbraw/zinc/88/27/52/567882752.db2.gz VZFZXDFRRKJSGO-KRWDZBQOSA-N 1 0 298.361 3.862 50 0 CHAARO Cc1nc2ccccc2nc1NCC(C)(C)[NH+]1CCCCC1 ZINC000030007858 567884250 /nfs/dbraw/zinc/88/42/50/567884250.db2.gz DXDFPAIVMHBNQH-UHFFFAOYSA-N 1 0 298.434 3.615 50 0 CHAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(Cl)c1 ZINC000072298483 567885044 /nfs/dbraw/zinc/88/50/44/567885044.db2.gz UJJLSEIGQSYKBC-HNNXBMFYSA-N 1 0 289.810 3.724 50 0 CHAARO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)CCCC(C)(C)O ZINC000032582165 567886003 /nfs/dbraw/zinc/88/60/03/567886003.db2.gz IJKDOEINWGCDQK-UONOGXRCSA-N 1 0 281.415 3.676 50 0 CHAARO Cc1cc(Cl)cc(C)c1OCCC[NH+]1CCCC1 ZINC000002472347 567887628 /nfs/dbraw/zinc/88/76/28/567887628.db2.gz CXBQXKFXEFNMHT-UHFFFAOYSA-N 1 0 267.800 3.822 50 0 CHAARO CC[NH+](CC)CCN(C)Cc1cccc(Cl)c1Cl ZINC000019805724 567887746 /nfs/dbraw/zinc/88/77/46/567887746.db2.gz KHEBJFUBCCJJEH-UHFFFAOYSA-N 1 0 289.250 3.767 50 0 CHAARO CC[C@@H](C)c1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000020118064 567887780 /nfs/dbraw/zinc/88/77/80/567887780.db2.gz DPYHNEPEJIWDCT-MRXNPFEDSA-N 1 0 291.435 3.691 50 0 CHAARO CCN(CC)CC[N@H+](CC)CC[C@@H](C)c1ccccc1 ZINC000019633339 567887977 /nfs/dbraw/zinc/88/79/77/567887977.db2.gz ZOKXNAGTJJTXKE-QGZVFWFLSA-N 1 0 276.468 3.844 50 0 CHAARO CCCC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001674 567890140 /nfs/dbraw/zinc/89/01/40/567890140.db2.gz RUJOVBANFACBNC-MRVPVSSYSA-N 1 0 262.216 3.961 50 0 CHAARO COc1ccc(Nc2cc[nH+]c3ccc(OC)cc23)cc1 ZINC000041055412 567890872 /nfs/dbraw/zinc/89/08/72/567890872.db2.gz ZVJNGBYGXVMOAR-UHFFFAOYSA-N 1 0 280.327 3.996 50 0 CHAARO CC(C)(C)c1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772444 567891501 /nfs/dbraw/zinc/89/15/01/567891501.db2.gz CERGIWJCBHXBTH-AWEZNQCLSA-N 1 0 261.409 3.753 50 0 CHAARO Clc1cc(-c2ccccc2)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042770763 567891526 /nfs/dbraw/zinc/89/15/26/567891526.db2.gz PIUSXJQWXHFWLY-CYBMUJFWSA-N 1 0 287.790 3.995 50 0 CHAARO Cc1cc(OCC[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000042770602 567891595 /nfs/dbraw/zinc/89/15/95/567891595.db2.gz XDOCNISWKMYWKZ-LBPRGKRZSA-N 1 0 298.224 3.526 50 0 CHAARO CC(C)(C)c1cccc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772804 567891717 /nfs/dbraw/zinc/89/17/17/567891717.db2.gz GSNFYKAJDSLOOH-CQSZACIVSA-N 1 0 261.409 3.753 50 0 CHAARO Cc1ccc(Cl)c(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000042772372 567891746 /nfs/dbraw/zinc/89/17/46/567891746.db2.gz VEWSQFRLEQRDEJ-LBPRGKRZSA-N 1 0 253.773 3.559 50 0 CHAARO CC[C@@H](C)C[N@@H+]1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000043041569 567891992 /nfs/dbraw/zinc/89/19/92/567891992.db2.gz PDKBWNGWHZWMNM-CABCVRRESA-N 1 0 277.456 3.834 50 0 CHAARO CC(C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774705 567892151 /nfs/dbraw/zinc/89/21/51/567892151.db2.gz XUONBQDRNBTXNO-LBPRGKRZSA-N 1 0 298.224 3.703 50 0 CHAARO O[C@@H](C[NH2+]Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000048555427 567892878 /nfs/dbraw/zinc/89/28/78/567892878.db2.gz AEWYIHDASOFNPG-HNNXBMFYSA-N 1 0 295.304 3.529 50 0 CHAARO O=C(OC[NH2+]C1CCCCC1)Sc1ccccc1 ZINC000063360870 567897563 /nfs/dbraw/zinc/89/75/63/567897563.db2.gz ZHXSWRCEDVXEAC-UHFFFAOYSA-N 1 0 265.378 3.795 50 0 CHAARO CCc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000064666892 567897808 /nfs/dbraw/zinc/89/78/08/567897808.db2.gz WMUTXCSKBXBQSJ-INIZCTEOSA-N 1 0 270.376 3.883 50 0 CHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)c(C)c2)on1 ZINC000064666821 567898024 /nfs/dbraw/zinc/89/80/24/567898024.db2.gz QAGWTDYZUGIEES-MRXNPFEDSA-N 1 0 270.376 3.937 50 0 CHAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2)on1 ZINC000064667030 567898145 /nfs/dbraw/zinc/89/81/45/567898145.db2.gz BAUNFNWNRAVJEJ-INIZCTEOSA-N 1 0 270.376 3.883 50 0 CHAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000065381939 567898380 /nfs/dbraw/zinc/89/83/80/567898380.db2.gz RHTQLJVUFOVOSB-AWEZNQCLSA-N 1 0 280.371 3.891 50 0 CHAARO CC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2Cl)on1 ZINC000065396530 567899090 /nfs/dbraw/zinc/89/90/90/567899090.db2.gz NOSOIHMGTQTKTA-SNVBAGLBSA-N 1 0 264.756 3.883 50 0 CHAARO COC(=O)c1cccc(-c2ccc([C@@H](C)[NH+](C)C)cc2)c1 ZINC000065423485 567899099 /nfs/dbraw/zinc/89/90/99/567899099.db2.gz VVZQRUHRHAUSCN-CYBMUJFWSA-N 1 0 283.371 3.763 50 0 CHAARO COc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1C[NH+](C)C ZINC000067688681 567900064 /nfs/dbraw/zinc/90/00/64/567900064.db2.gz JBYSMEZMHMSDOE-UHFFFAOYSA-N 1 0 295.386 3.609 50 0 CHAARO Cc1ccc2[nH]cc(C[N@@H+](C)Cc3ncccc3C)c2c1 ZINC000067587410 567900359 /nfs/dbraw/zinc/90/03/59/567900359.db2.gz UYAMZDMQOITUSH-UHFFFAOYSA-N 1 0 279.387 3.812 50 0 CHAARO COc1cc(C[N@H+](C)Cc2sccc2C)cc(F)c1O ZINC000067850294 567900503 /nfs/dbraw/zinc/90/05/03/567900503.db2.gz YZFYUKDCYRIUTA-UHFFFAOYSA-N 1 0 295.379 3.542 50 0 CHAARO CC(C)[N@@H+]1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067788057 567900604 /nfs/dbraw/zinc/90/06/04/567900604.db2.gz IRMZWNZVIMFBAI-UHFFFAOYSA-N 1 0 276.767 3.762 50 0 CHAARO CCSC[C@@H](C)[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000067790734 567900650 /nfs/dbraw/zinc/90/06/50/567900650.db2.gz OBGGIZBBQZWYFX-OAHLLOKOSA-N 1 0 292.492 3.695 50 0 CHAARO c1c2ccccc2oc1-c1ccccc1N1CC[NH2+]CC1 ZINC000067803217 567900653 /nfs/dbraw/zinc/90/06/53/567900653.db2.gz QNIMWIZHWSMELQ-UHFFFAOYSA-N 1 0 278.355 3.509 50 0 CHAARO Cc1cc(C)c(-c2ccc(COCC[NH3+])cc2)c(C)c1 ZINC000067909363 567901080 /nfs/dbraw/zinc/90/10/80/567901080.db2.gz NTERRAWKWOZICC-UHFFFAOYSA-N 1 0 269.388 3.754 50 0 CHAARO CCC[C@@](OC(=O)CC)(c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000071772261 567902289 /nfs/dbraw/zinc/90/22/89/567902289.db2.gz VCMZAYBZVOWQJQ-FUHWJXTLSA-N 1 0 289.419 3.587 50 0 CHAARO Cc1cccc([C@@H](Cn2ccnc2-c2ccco2)[NH+](C)C)c1 ZINC000072479269 567902997 /nfs/dbraw/zinc/90/29/97/567902997.db2.gz GPTXVQCOTNBIJB-MRXNPFEDSA-N 1 0 295.386 3.754 50 0 CHAARO C[N@@H+]1CCC[C@@H]1c1nc(-c2cccc3ccccc32)no1 ZINC000097102694 567904423 /nfs/dbraw/zinc/90/44/23/567904423.db2.gz GVOOZCDCFWAVJA-OAHLLOKOSA-N 1 0 279.343 3.657 50 0 CHAARO C[C@H]1C[C@@H]([N@H+](C)C2CCC2)CCN1Cc1ccccc1 ZINC000095441674 567907967 /nfs/dbraw/zinc/90/79/67/567907967.db2.gz AGYDJTMPFLQYCT-YJBOKZPZSA-N 1 0 272.436 3.524 50 0 CHAARO Cc1cccc(CN(C)Cc2cnc3ccccc3c2)n1 ZINC000097604247 567910780 /nfs/dbraw/zinc/91/07/80/567910780.db2.gz QHVHJULJKGQCOO-UHFFFAOYSA-N 1 0 277.371 3.570 50 0 CHAARO Cc1ccc(C[N@H+](C)Cc2cc(-c3ccccn3)no2)s1 ZINC000097694897 567911094 /nfs/dbraw/zinc/91/10/94/567911094.db2.gz CPSMQIASEWJODI-UHFFFAOYSA-N 1 0 299.399 3.739 50 0 CHAARO CSc1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000097823206 567911381 /nfs/dbraw/zinc/91/13/81/567911381.db2.gz AHKYFPWOPWAPEZ-OAHLLOKOSA-N 1 0 299.443 3.578 50 0 CHAARO c1csc(-c2ccc(-c3nc4c([nH]3)C[NH2+]CC4)s2)c1 ZINC000097797289 567911416 /nfs/dbraw/zinc/91/14/16/567911416.db2.gz RBCCNUPXJKHXJZ-UHFFFAOYSA-N 1 0 287.413 3.512 50 0 CHAARO Cc1cc2c3ccc(C)n3ccn2c1C[NH+]1CCCCC1 ZINC000018193245 567940603 /nfs/dbraw/zinc/94/06/03/567940603.db2.gz LLVPULZSIHXPSY-UHFFFAOYSA-N 1 0 281.403 3.795 50 0 CHAARO COc1ccc(C[NH2+]CCC2=CCCCC2)c(OC)c1 ZINC000013723773 567942177 /nfs/dbraw/zinc/94/21/77/567942177.db2.gz DDUNRXZWRAHTKZ-UHFFFAOYSA-N 1 0 275.392 3.684 50 0 CHAARO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000103341102 567942664 /nfs/dbraw/zinc/94/26/64/567942664.db2.gz GPMFGOGUAMIBKO-CQSZACIVSA-N 1 0 296.414 3.825 50 0 CHAARO COc1ccccc1CC[NH2+]Cc1ccc(C)cc1C ZINC000016667875 567944441 /nfs/dbraw/zinc/94/44/41/567944441.db2.gz BGCVCHMHWZOGLW-UHFFFAOYSA-N 1 0 269.388 3.644 50 0 CHAARO CSc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000216428035 567947634 /nfs/dbraw/zinc/94/76/34/567947634.db2.gz WNUYNWSJAXCBGX-UHFFFAOYSA-N 1 0 287.432 3.511 50 0 CHAARO CC[NH+](CC)CC(=O)Nc1c(C)cc(C(C)(C)C)cc1C ZINC000000126352 567951373 /nfs/dbraw/zinc/95/13/73/567951373.db2.gz YGSPPIHKUQRPAF-UHFFFAOYSA-N 1 0 290.451 3.881 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H]2CCCO2)o1 ZINC000225392242 567953501 /nfs/dbraw/zinc/95/35/01/567953501.db2.gz PRCFDFCWQACROC-ZDUSSCGKSA-N 1 0 289.350 3.663 50 0 CHAARO CC[C@@H](O)CC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225477664 567953579 /nfs/dbraw/zinc/95/35/79/567953579.db2.gz LRGUXUCOHWGOIH-CYBMUJFWSA-N 1 0 291.366 3.645 50 0 CHAARO CC(C)Cn1cc[nH+]c1NCc1ccc(F)cc1Cl ZINC000225516035 567953623 /nfs/dbraw/zinc/95/36/23/567953623.db2.gz CWSYTHKLSCFBKE-UHFFFAOYSA-N 1 0 281.762 3.944 50 0 CHAARO CC[C@H](O)CC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225477701 567953802 /nfs/dbraw/zinc/95/38/02/567953802.db2.gz LRGUXUCOHWGOIH-ZDUSSCGKSA-N 1 0 291.366 3.645 50 0 CHAARO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cncc(F)c1)CCC2 ZINC000225566416 567953951 /nfs/dbraw/zinc/95/39/51/567953951.db2.gz HOPZOCASTKEOQR-RNCFNFMXSA-N 1 0 291.395 3.714 50 0 CHAARO C[N@H+](CCSC1CCCCC1)CCc1ccncc1 ZINC000225722298 567954668 /nfs/dbraw/zinc/95/46/68/567954668.db2.gz VBYPBDRHYDGYOV-UHFFFAOYSA-N 1 0 278.465 3.622 50 0 CHAARO OCc1ccc(C[N@@H+]2CCC[C@@H](CCc3ccccc3)C2)o1 ZINC000011874838 570220798 /nfs/dbraw/zinc/22/07/98/570220798.db2.gz XYWIVKCJZUMXCS-KRWDZBQOSA-N 1 0 299.414 3.617 50 0 CHAARO c1nc2ccccc2n1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000025286242 570230106 /nfs/dbraw/zinc/23/01/06/570230106.db2.gz AVGIQRYAGVZRCF-UHFFFAOYSA-N 1 0 289.382 3.783 50 0 CHAARO Cc1ccccc1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000025686308 570231033 /nfs/dbraw/zinc/23/10/33/570231033.db2.gz CRPLCQUYSXUDRJ-UHFFFAOYSA-N 1 0 259.780 3.981 50 0 CHAARO CSc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000039454742 570234958 /nfs/dbraw/zinc/23/49/58/570234958.db2.gz UIXXCPIZWSSKOW-AWEZNQCLSA-N 1 0 287.432 3.511 50 0 CHAARO Cc1ncc(C[N@@H+]2CCC[C@H](CCc3ccccc3C)C2)[nH]1 ZINC000055120218 570240971 /nfs/dbraw/zinc/24/09/71/570240971.db2.gz VEKGSSYOBVZSFM-QGZVFWFLSA-N 1 0 297.446 3.871 50 0 CHAARO Cc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C)C2)[nH]1 ZINC000055120217 570241261 /nfs/dbraw/zinc/24/12/61/570241261.db2.gz VEKGSSYOBVZSFM-KRWDZBQOSA-N 1 0 297.446 3.871 50 0 CHAARO C[N@H+](CCCSc1ccccc1)Cc1ccoc1 ZINC000055196215 570241448 /nfs/dbraw/zinc/24/14/48/570241448.db2.gz SWBKUCULDVSESI-UHFFFAOYSA-N 1 0 261.390 3.894 50 0 CHAARO Cc1ccc(O)c(C[N@@H+](Cc2ccco2)[C@H](C)C(C)C)n1 ZINC000055393684 570243160 /nfs/dbraw/zinc/24/31/60/570243160.db2.gz SXRYYJURSAFUCL-CQSZACIVSA-N 1 0 288.391 3.735 50 0 CHAARO C[C@H]([NH2+]C1CCCC1)c1nc2c(s1)CCCC2 ZINC000065525994 570244657 /nfs/dbraw/zinc/24/46/57/570244657.db2.gz BOAWKNGSUGKAPE-JTQLQIEISA-N 1 0 250.411 3.615 50 0 CHAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1c[nH]c2ccccc12 ZINC000002738721 570278017 /nfs/dbraw/zinc/27/80/17/570278017.db2.gz RNQKFVUQTYKTMI-UHFFFAOYSA-N 1 0 289.382 3.982 50 0 CHAARO CCOc1ccc(Cl)cc1C[NH+]1CCCCC1 ZINC000000530039 570286266 /nfs/dbraw/zinc/28/62/66/570286266.db2.gz KYOSLKSRHLEPAC-UHFFFAOYSA-N 1 0 253.773 3.725 50 0 CHAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000048288836 570296910 /nfs/dbraw/zinc/29/69/10/570296910.db2.gz UHYNQMDIAZOFPE-INIZCTEOSA-N 1 0 269.392 3.637 50 0 CHAARO O=C(C[C@@H]1C=CCC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000048314214 570297240 /nfs/dbraw/zinc/29/72/40/570297240.db2.gz FULGSUWOZWHCCX-MRXNPFEDSA-N 1 0 298.430 3.967 50 0 CHAARO c1c2ccccc2[nH]c1C[N@@H+]1CCC2(CCCC2)C1 ZINC000215169331 570302332 /nfs/dbraw/zinc/30/23/32/570302332.db2.gz JAGMYFLLAQKSBS-UHFFFAOYSA-N 1 0 254.377 3.934 50 0 CHAARO COCC[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000215289458 570302835 /nfs/dbraw/zinc/30/28/35/570302835.db2.gz OXVXBFSTRALDEG-CQSZACIVSA-N 1 0 273.376 3.681 50 0 CHAARO c1cc2cccc(C[N@@H+]3CCCC4(CCOCC4)C3)c2[nH]1 ZINC000215747778 570303845 /nfs/dbraw/zinc/30/38/45/570303845.db2.gz TZDJLXXNAUPTFR-UHFFFAOYSA-N 1 0 284.403 3.561 50 0 CHAARO C[C@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000063308490 570325923 /nfs/dbraw/zinc/32/59/23/570325923.db2.gz YGFMNDDVMCISSZ-NSHDSACASA-N 1 0 281.783 3.691 50 0 CHAARO C[C@H](C[NH+]1CCCCC1)Nc1nc2ccccc2s1 ZINC000047873393 570341651 /nfs/dbraw/zinc/34/16/51/570341651.db2.gz FKMDFAOYUGNJPD-GFCCVEGCSA-N 1 0 275.421 3.583 50 0 CHAARO CCCO[C@@H]1CCC[N@H+](Cc2cccs2)CC1 ZINC000093316932 570346806 /nfs/dbraw/zinc/34/68/06/570346806.db2.gz WGXQEIWBNKXTEP-CYBMUJFWSA-N 1 0 253.411 3.529 50 0 CHAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccsc1 ZINC000075584146 570356166 /nfs/dbraw/zinc/35/61/66/570356166.db2.gz VUNVNEGLMMDNCT-AWEZNQCLSA-N 1 0 289.448 3.867 50 0 CHAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000013136778 570360684 /nfs/dbraw/zinc/36/06/84/570360684.db2.gz GWFPZNWTHIITBJ-SJORKVTESA-N 1 0 299.801 3.868 50 0 CHAARO Cc1cc(C)n(CCCNc2cc(C)[nH+]c3ccccc23)n1 ZINC000089594193 570366581 /nfs/dbraw/zinc/36/65/81/570366581.db2.gz ZSISFTNOCYCEPK-UHFFFAOYSA-N 1 0 294.402 3.859 50 0 CHAARO C[C@@H]1CSc2ccccc2[C@H]1[NH2+]Cc1cccnc1 ZINC000095427020 570371701 /nfs/dbraw/zinc/37/17/01/570371701.db2.gz RACKREXTFQOYNZ-WBMJQRKESA-N 1 0 270.401 3.654 50 0 CHAARO c1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2nnc(C3CCC3)o2)cc1 ZINC000133552309 570400098 /nfs/dbraw/zinc/40/00/98/570400098.db2.gz WKFWNBHSASJUJF-HOTGVXAUSA-N 1 0 297.402 3.763 50 0 CHAARO COc1cc2c(cc1Cl)CC[NH2+]C[C@@H]2c1ccccc1 ZINC000039342372 570401179 /nfs/dbraw/zinc/40/11/79/570401179.db2.gz CTVBFLYYMMBIQW-OAHLLOKOSA-N 1 0 287.790 3.626 50 0 CHAARO CC(C)=CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000075696345 570404975 /nfs/dbraw/zinc/40/49/75/570404975.db2.gz FCSQUIJRUOMZJM-AWEZNQCLSA-N 1 0 270.376 3.973 50 0 CHAARO CC[C@H](C)Oc1cccc(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000952966713 615681722 /nfs/dbraw/zinc/68/17/22/615681722.db2.gz FRHFXJYVLUTZMU-HNNXBMFYSA-N 1 0 299.414 3.646 50 0 CHAARO CC[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000024809030 1125587060 /nfs/dbraw/zinc/58/70/60/1125587060.db2.gz NWZADFDTBBTORU-QGZVFWFLSA-N 1 0 296.414 3.881 50 0 CHAARO C[N@@H+](C/C=C/c1ccccc1)CCc1ccccc1 ZINC000027911709 1127039975 /nfs/dbraw/zinc/03/99/75/1127039975.db2.gz BUCJRDNLWSHRGQ-MDWZMJQESA-N 1 0 251.373 3.874 50 0 CHAARO c1ccc(CNc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032582084 1128010285 /nfs/dbraw/zinc/01/02/85/1128010285.db2.gz MZJUGRDAGPNNTK-UHFFFAOYSA-N 1 0 266.388 3.895 50 0 CHAARO Cc1ncsc1CC[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000352353568 1128555627 /nfs/dbraw/zinc/55/56/27/1128555627.db2.gz ZFKRPMZSGZKPED-UHFFFAOYSA-N 1 0 298.455 3.932 50 0 CHAARO CC[NH+](CC)Cc1ccccc1[C@H](O)c1ccccc1 ZINC000000228511 1118015581 /nfs/dbraw/zinc/01/55/81/1118015581.db2.gz TVVQMHPFHACSJP-GOSISDBHSA-N 1 0 269.388 3.610 50 0 CHAARO CC(C)[NH2+]Cc1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000050479187 1118502285 /nfs/dbraw/zinc/50/22/85/1118502285.db2.gz AFLXBLQMPALRBN-UHFFFAOYSA-N 1 0 284.190 3.882 50 0 CHAARO C[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000083442694 1118729723 /nfs/dbraw/zinc/72/97/23/1118729723.db2.gz QGCHPDGYVYGLTE-SNVBAGLBSA-N 1 0 254.171 3.606 50 0 CHAARO Clc1ccc(OCCC[NH+]2CCCC2)c(Cl)c1 ZINC000002902686 1119156396 /nfs/dbraw/zinc/15/63/96/1119156396.db2.gz MTZAVHMITRHSPO-UHFFFAOYSA-N 1 0 274.191 3.858 50 0 CHAARO Cc1cccc(Cl)c1OCCC[NH+]1CCCC1 ZINC000002903512 1119157881 /nfs/dbraw/zinc/15/78/81/1119157881.db2.gz FTYXOPDCSBVADL-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO Cc1ccc(Cl)c(OCCC[NH+]2CCCC2)c1 ZINC000002933430 1119193131 /nfs/dbraw/zinc/19/31/31/1119193131.db2.gz RMJDIRCCSOXJSA-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO Cc1noc(C)c1[C@@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000194519856 1119230089 /nfs/dbraw/zinc/23/00/89/1119230089.db2.gz PAFSCRLDADODMS-OLZOCXBDSA-N 1 0 272.392 3.788 50 0 CHAARO COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)C2CC2)c1 ZINC000177367045 1119799984 /nfs/dbraw/zinc/79/99/84/1119799984.db2.gz ORJOLNKOJPDUAO-ZDUSSCGKSA-N 1 0 298.386 3.771 50 0 CHAARO C[C@@H](CCc1ccc(O)cc1)[N@H+](C)CCc1ccccc1 ZINC000002499384 1119989879 /nfs/dbraw/zinc/98/98/79/1119989879.db2.gz KJAVDHZFEIJNMJ-INIZCTEOSA-N 1 0 283.415 3.888 50 0 CHAARO CC(C)C[NH2+]Cc1cccnc1Oc1ccc(F)cc1F ZINC000012320078 1120179294 /nfs/dbraw/zinc/17/92/94/1120179294.db2.gz KYIUCANKKNRURY-UHFFFAOYSA-N 1 0 292.329 3.898 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1CCCc1ccc(N(C)C)cc1 ZINC000020118168 1120196824 /nfs/dbraw/zinc/19/68/24/1120196824.db2.gz JLWKHBTUZZWYKK-OAHLLOKOSA-N 1 0 260.425 3.560 50 0 CHAARO CC[N@@H+]1C[C@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257177056 1120289787 /nfs/dbraw/zinc/28/97/87/1120289787.db2.gz VPCZNLIOBREICF-OAHLLOKOSA-N 1 0 297.402 3.716 50 0 CHAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)CC[C@]1(O)c1ccccc1 ZINC000004011745 1120294710 /nfs/dbraw/zinc/29/47/10/1120294710.db2.gz MIQQNFDIJGZCGD-ATZDWAIDSA-N 1 0 281.399 3.587 50 0 CHAARO CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2)nc1 ZINC000674862551 1120387168 /nfs/dbraw/zinc/38/71/68/1120387168.db2.gz BUFAYWDXXWWUAY-UHFFFAOYSA-N 1 0 270.376 3.505 50 0 CHAARO Cc1cn2c(C[NH2+]CCc3ccccc3C)c(C)nc2s1 ZINC000111158378 1120747094 /nfs/dbraw/zinc/74/70/94/1120747094.db2.gz CAOMTXGVYWPPMC-UHFFFAOYSA-N 1 0 299.443 3.653 50 0 CHAARO COc1ccc(C2=CC[N@H+](Cc3c(C)noc3C)CC2)cc1 ZINC000047798302 1120795742 /nfs/dbraw/zinc/79/57/42/1120795742.db2.gz LVHDDNRFVZWTDL-UHFFFAOYSA-N 1 0 298.386 3.589 50 0 CHAARO C[C@H]([C@@H](O)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000000276794 1120894786 /nfs/dbraw/zinc/89/47/86/1120894786.db2.gz PFSKVIADTYAMME-RDTXWAMCSA-N 1 0 269.388 3.748 50 0 CHAARO CC(C)[C@@H](CO)[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000032534792 1121155513 /nfs/dbraw/zinc/15/55/13/1121155513.db2.gz MNHMDRWOBPCGNS-QFBILLFUSA-N 1 0 297.442 3.814 50 0 CHAARO OCC[N@@H+]1CCC[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000001666316 1121227717 /nfs/dbraw/zinc/22/77/17/1121227717.db2.gz HIQQFDVZPBVYFL-OALUTQOASA-N 1 0 281.399 3.600 50 0 CHAARO c1coc(CCC[N@@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000252485702 1121653199 /nfs/dbraw/zinc/65/31/99/1121653199.db2.gz HBUOCBTVZZUTJW-KRWDZBQOSA-N 1 0 270.376 3.834 50 0 CHAARO c1cc([C@H]2CCCO2)sc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000820420196 1121898413 /nfs/dbraw/zinc/89/84/13/1121898413.db2.gz IVJWYURTPAMXJN-IJEWVQPXSA-N 1 0 289.444 3.998 50 0 CHAARO COc1cccc([C@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000037771643 1129019617 /nfs/dbraw/zinc/01/96/17/1129019617.db2.gz WXKPKLAVKSNIAI-LBPRGKRZSA-N 1 0 261.390 3.916 50 0 CHAARO CCSc1ccccc1NC(=O)C[C@H]1CCCC[N@@H+]1C ZINC000823426700 1122003122 /nfs/dbraw/zinc/00/31/22/1122003122.db2.gz AXYAJUODZIZAHN-CYBMUJFWSA-N 1 0 292.448 3.612 50 0 CHAARO C[C@H]1CCCN(Cn2nc(C3CC3)sc2=S)CC1 ZINC000074719739 1124016073 /nfs/dbraw/zinc/01/60/73/1124016073.db2.gz FNHSFXUXHVWSHU-JTQLQIEISA-N 1 0 283.466 3.631 50 0 CHAARO C1CC1[C@@H]1C[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)CCO1 ZINC000585117461 1131308804 /nfs/dbraw/zinc/30/88/04/1131308804.db2.gz FAXDRBYMVCHQGI-ROUUACIJSA-N 1 0 275.436 3.957 50 0 CHAARO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1 ZINC000215022352 1125425576 /nfs/dbraw/zinc/42/55/76/1125425576.db2.gz YYQCAAMLAIGWCT-KRWDZBQOSA-N 1 0 299.414 3.930 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000215787291 1125426884 /nfs/dbraw/zinc/42/68/84/1125426884.db2.gz PPVQAVVKSNZNRS-KRWDZBQOSA-N 1 0 299.418 3.674 50 0 CHAARO CN(Cc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000000200765 1129735063 /nfs/dbraw/zinc/73/50/63/1129735063.db2.gz CCMXKDYPMGUPQY-UHFFFAOYSA-N 1 0 287.234 3.519 50 0 CHAARO C[C@H](CCc1ccccc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000020545321 1129848571 /nfs/dbraw/zinc/84/85/71/1129848571.db2.gz DGWFWVYRHGQJHI-QGZVFWFLSA-N 1 0 288.479 3.862 50 0 CHAARO c1nc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)co1 ZINC000191940405 1131198865 /nfs/dbraw/zinc/19/88/65/1131198865.db2.gz LGAJJMJWACRBKZ-UHFFFAOYSA-N 1 0 298.386 3.554 50 0 CHAARO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]Cc1ccccc1 ZINC000952992742 1132019043 /nfs/dbraw/zinc/01/90/43/1132019043.db2.gz JTXNVGBMUNFHGI-UHFFFAOYSA-N 1 0 297.398 3.639 50 0 CHAARO CCOc1ccnc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n1 ZINC000426517768 230421894 /nfs/dbraw/zinc/42/18/94/230421894.db2.gz DKPIWASCCPCZCF-CQSZACIVSA-N 1 0 297.402 3.699 50 0 CHAARO CC[NH+](CC)CCS[C@@H](C)c1ccccc1F ZINC000095964353 185045000 /nfs/dbraw/zinc/04/50/00/185045000.db2.gz ZAQUNWYBSCWSNI-LBPRGKRZSA-N 1 0 255.402 3.962 50 0 CHAARO CC[C@@H](C)[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000096971320 185144750 /nfs/dbraw/zinc/14/47/50/185144750.db2.gz DPIFYGUQULZYQT-LLVKDONJSA-N 1 0 257.324 3.793 50 0 CHAARO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000097016972 529667389 /nfs/dbraw/zinc/66/73/89/529667389.db2.gz MNIAZBORNDDSKR-KOLCDFICSA-N 1 0 283.828 3.937 50 0 CHAARO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108929059 186237344 /nfs/dbraw/zinc/23/73/44/186237344.db2.gz MXNXUGZLEBGSEG-FRRDWIJNSA-N 1 0 294.826 3.645 50 0 CHAARO Cc1nc2c(s1)[C@@H]([N@H+](C)CC1CCCC1)CCC2 ZINC000111312364 186396350 /nfs/dbraw/zinc/39/63/50/186396350.db2.gz NSWXRBUSVIKFRH-AWEZNQCLSA-N 1 0 264.438 3.951 50 0 CHAARO O[C@H](C[NH2+]C1CC(c2ccc(Cl)cc2)C1)c1ccco1 ZINC000154098907 188122991 /nfs/dbraw/zinc/12/29/91/188122991.db2.gz BSAQFPFHOCZYLB-PESDSKBTSA-N 1 0 291.778 3.502 50 0 CHAARO COCCC1([NH2+]Cc2cc(F)c(F)cc2F)CCCC1 ZINC000154266731 188132271 /nfs/dbraw/zinc/13/22/71/188132271.db2.gz HGCHVILAMJSMSC-UHFFFAOYSA-N 1 0 287.325 3.543 50 0 CHAARO Cc1[nH+]c2cc(NCc3cccs3)ccc2n1C ZINC000000535352 169664248 /nfs/dbraw/zinc/66/42/48/169664248.db2.gz FYIIBIPOTHDWIV-UHFFFAOYSA-N 1 0 257.362 3.555 50 0 CHAARO CC(C)OCc1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000095420468 184976088 /nfs/dbraw/zinc/97/60/88/184976088.db2.gz XVCMVTILOLZQEL-HNNXBMFYSA-N 1 0 291.435 3.516 50 0 CHAARO Cc1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000006667483 134661454 /nfs/dbraw/zinc/66/14/54/134661454.db2.gz VRDRTVUWSKRXQT-VMPITWQZSA-N 1 0 292.426 3.830 50 0 CHAARO COc1ccc(CC[NH2+]Cc2ccc(C)cc2C)cc1OC ZINC000002380263 169789411 /nfs/dbraw/zinc/78/94/11/169789411.db2.gz LZLZCIQFEUCNHX-UHFFFAOYSA-N 1 0 299.414 3.653 50 0 biogenic CHAARO O=C(c1ccc(F)cc1)c1ccccc1C[NH+]1CCCC1 ZINC000002515561 169798859 /nfs/dbraw/zinc/79/88/59/169798859.db2.gz NBOFRIRCITVUQY-UHFFFAOYSA-N 1 0 283.346 3.653 50 0 CHAARO CCCC[NH2+]CCCCCOc1ccc(OC)cc1 ZINC000002900224 169842949 /nfs/dbraw/zinc/84/29/49/169842949.db2.gz WUVZRCMJWIAOMS-UHFFFAOYSA-N 1 0 265.397 3.634 50 0 CHAARO c1ccc(COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)cc1 ZINC000004700845 170001326 /nfs/dbraw/zinc/00/13/26/170001326.db2.gz IOAMRPKRUAPWOJ-LJQANCHMSA-N 1 0 297.398 3.534 50 0 CHAARO Cc1ccc(C)c(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004743742 170009813 /nfs/dbraw/zinc/00/98/13/170009813.db2.gz SNFXETNYWHPWJA-GASCZTMLSA-N 1 0 288.435 3.610 50 0 CHAARO COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C)C3)on2)cc1 ZINC000004776602 170015903 /nfs/dbraw/zinc/01/59/03/170015903.db2.gz CFGZHDKSMHPDJF-CYBMUJFWSA-N 1 0 286.375 3.582 50 0 CHAARO CCC(=O)c1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000004842917 170029002 /nfs/dbraw/zinc/02/90/02/170029002.db2.gz WHMCXTZXYFLJFK-UHFFFAOYSA-N 1 0 289.419 3.924 50 0 CHAARO Cc1ccc(OCC[NH+]2CCCCC2)c(Br)c1 ZINC000004845216 170029388 /nfs/dbraw/zinc/02/93/88/170029388.db2.gz UOOLBVKZAMKPTA-UHFFFAOYSA-N 1 0 298.224 3.622 50 0 CHAARO CC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000004845435 170029760 /nfs/dbraw/zinc/02/97/60/170029760.db2.gz INVFMJKFELVUKU-UHFFFAOYSA-N 1 0 298.224 3.560 50 0 CHAARO COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(OC)c1 ZINC000004891727 170036888 /nfs/dbraw/zinc/03/68/88/170036888.db2.gz STSLPNQNBVMGPK-SFHVURJKSA-N 1 0 297.398 3.871 50 0 CHAARO CC(C)(CO)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942963 170043452 /nfs/dbraw/zinc/04/34/52/170043452.db2.gz ZFKNVVIQECKZTH-UHFFFAOYSA-N 1 0 297.757 3.600 50 0 CHAARO COc1ccc(CC[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000004989223 170049868 /nfs/dbraw/zinc/04/98/68/170049868.db2.gz SZMDMWBJUKDRMG-UHFFFAOYSA-N 1 0 285.431 3.652 50 0 CHAARO Cc1ccc2c(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc(=O)oc2c1C ZINC000005252569 170079984 /nfs/dbraw/zinc/07/99/84/170079984.db2.gz VGENLWPZZMPKNW-BETUJISGSA-N 1 0 299.414 3.888 50 0 biogenic CHAARO FC(F)(F)c1cccc(-c2cc(C3CC[NH2+]CC3)[nH]n2)c1 ZINC000005626223 170121374 /nfs/dbraw/zinc/12/13/74/170121374.db2.gz WTNXOBKJOIECIA-UHFFFAOYSA-N 1 0 295.308 3.563 50 0 CHAARO CC[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000005807778 170142096 /nfs/dbraw/zinc/14/20/96/170142096.db2.gz CBZIGGLPIYJLLU-QGZVFWFLSA-N 1 0 255.361 3.589 50 0 CHAARO CCOCCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000006536879 170211259 /nfs/dbraw/zinc/21/12/59/170211259.db2.gz NXNUQAQMKWFWSZ-UHFFFAOYSA-N 1 0 299.414 3.782 50 0 CHAARO O[C@H](c1ccccc1)C1([NH+]2CCCCC2)CCCCC1 ZINC000006582060 170215573 /nfs/dbraw/zinc/21/55/73/170215573.db2.gz AJESULDYRGRWRS-QGZVFWFLSA-N 1 0 273.420 3.909 50 0 CHAARO FC(F)(F)c1ccc(Cl)c(NC[C@H]2CCC[NH2+]2)c1 ZINC000006658214 170223143 /nfs/dbraw/zinc/22/31/43/170223143.db2.gz RKXSUNILEHMVLP-SECBINFHSA-N 1 0 278.705 3.523 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000006699690 170228554 /nfs/dbraw/zinc/22/85/54/170228554.db2.gz JVWMMVUYCONOFI-CQSZACIVSA-N 1 0 282.387 3.653 50 0 CHAARO CCOc1c(C[NH2+][C@H](C)c2ccccc2)cccc1OC ZINC000006702284 170229741 /nfs/dbraw/zinc/22/97/41/170229741.db2.gz YSBIBYJLXUSZPO-CQSZACIVSA-N 1 0 285.387 3.945 50 0 CHAARO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000006729657 170234783 /nfs/dbraw/zinc/23/47/83/170234783.db2.gz STGGAJXIFHJTSB-UHFFFAOYSA-N 1 0 279.742 3.778 50 0 CHAARO Cc1ccc(COc2cccc(C[NH2+]C3CC3)c2)cc1 ZINC000006742846 170238225 /nfs/dbraw/zinc/23/82/25/170238225.db2.gz HISSJBNSXGYHRI-UHFFFAOYSA-N 1 0 267.372 3.826 50 0 CHAARO Clc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCO2)o1 ZINC000006746084 170238918 /nfs/dbraw/zinc/23/89/18/170238918.db2.gz FCTMGISVRDPTGY-LBPRGKRZSA-N 1 0 291.778 3.869 50 0 CHAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OC ZINC000008253649 170327183 /nfs/dbraw/zinc/32/71/83/170327183.db2.gz RPDCBHFVSRCKJG-UHFFFAOYSA-N 1 0 283.799 3.780 50 0 CHAARO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C)CC1 ZINC000008470898 170336890 /nfs/dbraw/zinc/33/68/90/170336890.db2.gz GRAMBRXYCUJNBK-OAHLLOKOSA-N 1 0 296.414 3.899 50 0 CHAARO Cc1[nH]c2ccc(F)cc2c(=O)c1C[NH+]1CCCCCC1 ZINC000008717120 170349226 /nfs/dbraw/zinc/34/92/26/170349226.db2.gz YEGPPOPSNALHEY-UHFFFAOYSA-N 1 0 288.366 3.764 50 0 CHAARO C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccccc1 ZINC000008752936 170354462 /nfs/dbraw/zinc/35/44/62/170354462.db2.gz UDMXNAGERXSOIB-UHFFFAOYSA-N 1 0 275.779 3.851 50 0 CHAARO c1cnc2c(c1)cccc2CSC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000008935655 170359188 /nfs/dbraw/zinc/35/91/88/170359188.db2.gz HMSGAMFZHSIYBJ-GASCZTMLSA-N 1 0 297.427 3.738 50 0 CHAARO CCC(C)(C)[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000009494806 170378747 /nfs/dbraw/zinc/37/87/47/170378747.db2.gz VFOZKRKCCIKIQT-UHFFFAOYSA-N 1 0 270.376 3.557 50 0 CHAARO Clc1ccc(OC[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000012137824 170470355 /nfs/dbraw/zinc/47/03/55/170470355.db2.gz NXOSDRYWPZAGJR-LBPRGKRZSA-N 1 0 275.779 3.872 50 0 CHAARO Cc1nc2c(c3c4ccccc4[nH]c31)[C@H]([NH3+])CC(C)(C)C2 ZINC000019563728 170827186 /nfs/dbraw/zinc/82/71/86/170827186.db2.gz KNOJYWPMDFQPCP-GFCCVEGCSA-N 1 0 279.387 3.997 50 0 biogenic CHAARO CC(C)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019883001 170908540 /nfs/dbraw/zinc/90/85/40/170908540.db2.gz ITFFEPKIPIYESV-JTQLQIEISA-N 1 0 256.187 3.756 50 0 CHAARO CC(C)(C)c1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000020221533 171082983 /nfs/dbraw/zinc/08/29/83/171082983.db2.gz FXOZRFFMAOFUBY-AWEZNQCLSA-N 1 0 261.409 3.895 50 0 CHAARO Cc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000020294109 171134305 /nfs/dbraw/zinc/13/43/05/171134305.db2.gz SNWXGUGFCOKZQH-UHFFFAOYSA-N 1 0 280.415 3.845 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+]C2CCCCCC2)cc1OC ZINC000020551731 171247436 /nfs/dbraw/zinc/24/74/36/171247436.db2.gz BOSZVZDEZMYTAN-AWEZNQCLSA-N 1 0 291.435 3.947 50 0 CHAARO C[N@H+](CCC(c1ccccc1)c1ccccc1)CC(C)(C)O ZINC000021297178 171300919 /nfs/dbraw/zinc/30/09/19/171300919.db2.gz MQWDISMNBYOLAB-UHFFFAOYSA-N 1 0 297.442 3.911 50 0 CHAARO Brc1cccc(C[n+]2ccc3ccccc3c2)c1 ZINC000021364130 171303652 /nfs/dbraw/zinc/30/36/52/171303652.db2.gz DNEZDTXLEPCRNF-UHFFFAOYSA-N 1 0 299.191 3.938 50 0 CHAARO COCCC[NH2+][C@H](C)CC[C@H](C)Oc1ccccc1C ZINC000022064864 171351527 /nfs/dbraw/zinc/35/15/27/171351527.db2.gz JKGRVROLTFTBSL-CVEARBPZSA-N 1 0 279.424 3.557 50 0 CHAARO Cc1cc(Cl)ccc1-c1cccc2c1O[C@@H](C[NH3+])C2 ZINC000034396590 171838449 /nfs/dbraw/zinc/83/84/49/171838449.db2.gz NRTDVNZQACCYSG-CYBMUJFWSA-N 1 0 273.763 3.578 50 0 CHAARO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCSCC1)CCS2 ZINC000035043871 171947509 /nfs/dbraw/zinc/94/75/09/171947509.db2.gz DCDJSZGFOPWXSZ-ZDUSSCGKSA-N 1 0 283.437 3.848 50 0 CHAARO Clc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000035287213 172105062 /nfs/dbraw/zinc/10/50/62/172105062.db2.gz NDLVRBXFWWAUTQ-UHFFFAOYSA-N 1 0 299.805 3.939 50 0 CHAARO OC1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000037201906 173025822 /nfs/dbraw/zinc/02/58/22/173025822.db2.gz XRUQVVNLFPSMRP-YIZWMMSDSA-N 1 0 297.851 3.770 50 0 CHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCC(=O)c1ccccc1 ZINC000037322780 173123450 /nfs/dbraw/zinc/12/34/50/173123450.db2.gz ILYDOLPBZRLXMK-HUUCEWRRSA-N 1 0 259.393 3.912 50 0 CHAARO C[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)c1ccccc1F ZINC000040071617 174186251 /nfs/dbraw/zinc/18/62/51/174186251.db2.gz XVNKBBUKWDENTD-NHYWBVRUSA-N 1 0 291.391 3.540 50 0 CHAARO Fc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000040161837 174196503 /nfs/dbraw/zinc/19/65/03/174196503.db2.gz XAXDMNDPZRTETQ-LLVKDONJSA-N 1 0 261.262 3.600 50 0 CHAARO CC[C@@H](C)c1cc(Cl)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042771119 174871121 /nfs/dbraw/zinc/87/11/21/174871121.db2.gz QZAHRHHMKIMSBB-VXGBXAGGSA-N 1 0 267.800 3.842 50 0 CHAARO CCc1cc(OCC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000042771485 174871520 /nfs/dbraw/zinc/87/15/20/174871520.db2.gz GYQJBVZPUDKULY-GFCCVEGCSA-N 1 0 267.800 3.671 50 0 CHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)c2ccccc2)o1 ZINC000042907637 174908523 /nfs/dbraw/zinc/90/85/23/174908523.db2.gz XLDQEWSCWIBPML-ZDUSSCGKSA-N 1 0 295.386 3.871 50 0 CHAARO c1ccc2c(c1)cccc2NCCC[NH+]1CCCC1 ZINC000049332209 175473073 /nfs/dbraw/zinc/47/30/73/175473073.db2.gz CSFWKJITSAXIIC-UHFFFAOYSA-N 1 0 254.377 3.738 50 0 CHAARO C[NH+](C)/C=C/C=C/c1cc(=O)cc(/C=C/c2ccccc2)o1 ZINC000055561978 175580582 /nfs/dbraw/zinc/58/05/82/175580582.db2.gz AXBRADMFXUONOQ-FLLDCSHNSA-N 1 0 293.366 3.899 50 0 CHAARO [NH3+]CCOCc1ccc(-c2cc3ccccc3o2)cc1 ZINC000067816936 175794397 /nfs/dbraw/zinc/79/43/97/175794397.db2.gz NDKNLTLXTAQACC-UHFFFAOYSA-N 1 0 267.328 3.575 50 0 CHAARO CC[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C(C)C ZINC000072168069 176331750 /nfs/dbraw/zinc/33/17/50/176331750.db2.gz ZIBFKRMCSCHCRY-MRXNPFEDSA-N 1 0 298.833 3.784 50 0 CHAARO CC(C)[N@@H+]1CCCC[C@H]1CCc1ccnc(Cl)c1 ZINC000072343846 176372279 /nfs/dbraw/zinc/37/22/79/176372279.db2.gz PXUKXYLVNJDCCL-AWEZNQCLSA-N 1 0 266.816 3.931 50 0 CHAARO C[NH+](C)CC[C@H](c1ccccc1)n1ccnc1-c1ccco1 ZINC000077304007 177250401 /nfs/dbraw/zinc/25/04/01/177250401.db2.gz IWSMCSFQJUGWDI-MRXNPFEDSA-N 1 0 295.386 3.684 50 0 CHAARO C=Cc1cccc(-c2nccn2-c2cccc(C[NH3+])c2)c1 ZINC000077392409 177262810 /nfs/dbraw/zinc/26/28/10/177262810.db2.gz DIPNFODLJQWMIT-UHFFFAOYSA-N 1 0 275.355 3.641 50 0 CHAARO Brc1csc(C[NH2+]CCc2ccccc2)c1 ZINC000020305878 260117996 /nfs/dbraw/zinc/11/79/96/260117996.db2.gz FFXHJRWMXNPDCR-UHFFFAOYSA-N 1 0 296.233 3.843 50 0 CHAARO C[NH+](C)CCO[C@H](c1ccc(F)cc1)c1ccccc1F ZINC000252510312 328105910 /nfs/dbraw/zinc/10/59/10/328105910.db2.gz ZGSVAPHMVNXVJF-QGZVFWFLSA-N 1 0 291.341 3.632 50 0 CHAARO COc1cncc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c1 ZINC000534593111 328318910 /nfs/dbraw/zinc/31/89/10/328318910.db2.gz HMPAAKHTPAVTPC-AWEZNQCLSA-N 1 0 282.387 3.914 50 0 CHAARO C[C@@H](c1ccc(-c2nccs2)cc1)[NH+]1CCCC1 ZINC000534653808 328338556 /nfs/dbraw/zinc/33/85/56/328338556.db2.gz VUIGWDXOJMFNSY-LBPRGKRZSA-N 1 0 258.390 3.967 50 0 CHAARO C[C@H](CCn1cccn1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000534667439 328345826 /nfs/dbraw/zinc/34/58/26/328345826.db2.gz PXFSALBGRAHMMP-CYBMUJFWSA-N 1 0 289.810 3.594 50 0 CHAARO Cc1ccccc1N1CCC([NH2+][C@H](C)c2cccnc2)CC1 ZINC000534661902 328349773 /nfs/dbraw/zinc/34/97/73/328349773.db2.gz NGNLANXPJMIQIU-MRXNPFEDSA-N 1 0 295.430 3.710 50 0 CHAARO c1ccc2c(c1)cccc2OCCC1CC[NH2+]CC1 ZINC000014632397 326844268 /nfs/dbraw/zinc/84/42/68/326844268.db2.gz PXZZNGJRQLANKS-UHFFFAOYSA-N 1 0 255.361 3.608 50 0 CHAARO [NH3+][C@H](c1ccccc1)c1cccc(C(F)(F)F)c1F ZINC000094598821 328817420 /nfs/dbraw/zinc/81/74/20/328817420.db2.gz BSFPICPZTDUAPU-CYBMUJFWSA-N 1 0 269.241 3.893 50 0 CHAARO COc1cccc(C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000023550125 329256407 /nfs/dbraw/zinc/25/64/07/329256407.db2.gz LFRLOHMCAKEPLG-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090542088 329525625 /nfs/dbraw/zinc/52/56/25/329525625.db2.gz HXNWWUFIHQQJDH-ARFHVFGLSA-N 1 0 283.481 3.766 50 0 CHAARO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)Cc2ccncc2)c1 ZINC000097017218 533711356 /nfs/dbraw/zinc/71/13/56/533711356.db2.gz YYCYGAYKZMTBML-HZPDHXFCSA-N 1 0 268.404 3.980 50 0 CHAARO CC[N@H+](Cc1cccc2[nH]ccc21)[C@H]1CCOC(C)(C)C1 ZINC000290992409 521355068 /nfs/dbraw/zinc/35/50/68/521355068.db2.gz AAXAEVNVOXAHIP-HNNXBMFYSA-N 1 0 286.419 3.947 50 0 CHAARO CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)cs1)C2 ZINC000289771565 521653931 /nfs/dbraw/zinc/65/39/31/521653931.db2.gz RGJMMVJLZZGVGG-UHFFFAOYSA-N 1 0 285.840 3.793 50 0 CHAARO COCc1cccc(C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000037999881 523053659 /nfs/dbraw/zinc/05/36/59/523053659.db2.gz PTARYFFXSQKFPP-UHFFFAOYSA-N 1 0 281.808 3.838 50 0 CHAARO CCOc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000513047 528556747 /nfs/dbraw/zinc/55/67/47/528556747.db2.gz SZGFTJBGIRXJSQ-UHFFFAOYSA-N 1 0 253.305 3.705 50 0 CHAARO COCCC[NH2+]CCCOc1ccc(C(C)C)c(C)c1 ZINC000003002228 567851167 /nfs/dbraw/zinc/85/11/67/567851167.db2.gz PMBOKQUIIDDIIR-UHFFFAOYSA-N 1 0 279.424 3.513 50 0 CHAARO CCC(C)(C)[NH2+]Cc1ccccc1Br ZINC000019880326 567879838 /nfs/dbraw/zinc/87/98/38/567879838.db2.gz REPNKQPNEGDVII-UHFFFAOYSA-N 1 0 256.187 3.727 50 0 CHAARO CC[C@]1(C)C[C@H]([C@H](CC[NH3+])c2ccccc2)CCO1 ZINC000252370235 570374051 /nfs/dbraw/zinc/37/40/51/570374051.db2.gz XFYDEOVNLBSXAJ-BRWVUGGUSA-N 1 0 261.409 3.714 50 0 biogenic CHAARO Fc1cc(-c2ccncc2)ccc1C[NH2+]Cc1ccncc1 ZINC000241588316 566826160 /nfs/dbraw/zinc/82/61/60/566826160.db2.gz PBXOYLUGXHSNSL-UHFFFAOYSA-N 1 0 293.345 3.573 50 0 CHAARO CCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299786766 566853644 /nfs/dbraw/zinc/85/36/44/566853644.db2.gz NKASRRDWBAOSPB-XHSDSOJGSA-N 1 0 297.402 3.715 50 0 CHAARO Cc1cc([C@H]2CCCCN2CCCc2ccco2)no1 ZINC000299795057 566853846 /nfs/dbraw/zinc/85/38/46/566853846.db2.gz KQCQECIBFLDAHY-MRXNPFEDSA-N 1 0 274.364 3.736 50 0 CHAARO C[C@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CC[N@@H+]2C1 ZINC000004027344 566855638 /nfs/dbraw/zinc/85/56/38/566855638.db2.gz HBGSSXPVPKMKAU-YVEFUNNKSA-N 1 0 254.377 3.671 50 0 biogenic CHAARO FC(F)(F)[C@H](C[NH+]1CCCCC1)OC1CCCCC1 ZINC000001392941 566869829 /nfs/dbraw/zinc/86/98/29/566869829.db2.gz FSHIPIWVYHEIGI-ZDUSSCGKSA-N 1 0 279.346 3.753 50 0 CHAARO CC[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(F)cc1 ZINC000084734068 566887861 /nfs/dbraw/zinc/88/78/61/566887861.db2.gz DSHLPNCDNJEMLA-GOEBONIOSA-N 1 0 287.382 3.641 50 0 CHAARO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000225420678 566950929 /nfs/dbraw/zinc/95/09/29/566950929.db2.gz PZTJABGYETUPEC-INMHGKMJSA-N 1 0 288.435 3.799 50 0 CHAARO CO[C@H](C)c1nc(CN2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000229930992 566952221 /nfs/dbraw/zinc/95/22/21/566952221.db2.gz FQNOHJBOXZRDMH-DYEKYZERSA-N 1 0 280.437 3.615 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCOc2ccc(F)cc2)C1 ZINC000001755857 566962209 /nfs/dbraw/zinc/96/22/09/566962209.db2.gz DLVVQEAVYKASPK-GASCZTMLSA-N 1 0 279.399 3.963 50 0 CHAARO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cc2ccccc2o1 ZINC000241588160 566968235 /nfs/dbraw/zinc/96/82/35/566968235.db2.gz PAGPGXUBBRAEQD-JOKNJTHLSA-N 1 0 293.366 3.742 50 0 CHAARO Cc1ccc(-c2nccn2[C@H]2CC[C@@H]([NH3+])CC2)c(C)c1F ZINC000244900161 566968961 /nfs/dbraw/zinc/96/89/61/566968961.db2.gz ZXERQHSOPVUQLS-OKILXGFUSA-N 1 0 287.382 3.748 50 0 CHAARO c1ccc(C[NH2+]CC[C@H]2CSc3ccccc3O2)cc1 ZINC000521398114 566977033 /nfs/dbraw/zinc/97/70/33/566977033.db2.gz GKJKQKYHIOBFPD-HNNXBMFYSA-N 1 0 285.412 3.720 50 0 CHAARO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1ccccc1 ZINC000521398161 566977080 /nfs/dbraw/zinc/97/70/80/566977080.db2.gz PDFNVSQFTQBRNC-QGZVFWFLSA-N 1 0 281.399 3.905 50 0 CHAARO Cc1nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)c(C)[nH]1 ZINC000426667746 566990864 /nfs/dbraw/zinc/99/08/64/566990864.db2.gz ZNEHTJYRYKWOPZ-ZDUSSCGKSA-N 1 0 269.392 3.850 50 0 CHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)Cc1ccccc1 ZINC000036100577 566994086 /nfs/dbraw/zinc/99/40/86/566994086.db2.gz SDESERDGCGUSIZ-FQEVSTJZSA-N 1 0 297.442 3.811 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000065473230 567008155 /nfs/dbraw/zinc/00/81/55/567008155.db2.gz AKRAPELHNVXLPI-INIZCTEOSA-N 1 0 289.810 3.921 50 0 CHAARO c1cc(OC2CCCC2)ccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000037016159 567009675 /nfs/dbraw/zinc/00/96/75/567009675.db2.gz QTRZWNKSZCFYFU-GOSISDBHSA-N 1 0 286.419 3.514 50 0 CHAARO Cc1ccc(C[N@@H+](C)[C@H](C)Cc2ccncc2)c(C)c1 ZINC000170600998 567013661 /nfs/dbraw/zinc/01/36/61/567013661.db2.gz CIJJOTBUZKHMPI-MRXNPFEDSA-N 1 0 268.404 3.761 50 0 CHAARO CCO[C@H]1C[C@@H]([NH2+]Cc2cccs2)C12CCCCC2 ZINC000076021630 567027416 /nfs/dbraw/zinc/02/74/16/567027416.db2.gz YNAMHGMOSRGRJM-CABCVRRESA-N 1 0 279.449 3.966 50 0 CHAARO CC[C@@H]([NH2+]Cc1cccc(OC)c1)c1nc2ccccc2[nH]1 ZINC000076020713 567028691 /nfs/dbraw/zinc/02/86/91/567028691.db2.gz ZVXYXDUURNFWKV-OAHLLOKOSA-N 1 0 295.386 3.812 50 0 CHAARO COc1ccc(OCC[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000089895764 567030603 /nfs/dbraw/zinc/03/06/03/567030603.db2.gz DSUIFNKOMVBJQY-INIZCTEOSA-N 1 0 299.414 3.685 50 0 CHAARO COc1ccc(OCCC[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000002824031 567037447 /nfs/dbraw/zinc/03/74/47/567037447.db2.gz SDKWLSSJSGKEOT-HNNXBMFYSA-N 1 0 285.387 3.815 50 0 CHAARO OC1(C(F)(F)F)CCC([NH2+]C2CCCCCC2)CC1 ZINC000095967096 567040163 /nfs/dbraw/zinc/04/01/63/567040163.db2.gz CDIQLDDKNKRSSV-UHFFFAOYSA-N 1 0 279.346 3.535 50 0 CHAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000252477822 567055591 /nfs/dbraw/zinc/05/55/91/567055591.db2.gz VXVCAWZWHQOQIN-CUYVQJCZSA-N 1 0 285.497 3.625 50 0 CHAARO COC(C)(C)[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000252479138 567058041 /nfs/dbraw/zinc/05/80/41/567058041.db2.gz AZVYELUDMWHIMG-UXIGCNINSA-N 1 0 281.827 3.989 50 0 CHAARO Cc1cc(C)c(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(C)c1 ZINC000252514313 567063171 /nfs/dbraw/zinc/06/31/71/567063171.db2.gz CBNNSWWTCKVURO-NXHRZFHOSA-N 1 0 287.447 3.857 50 0 CHAARO Cc1cc(C)c2c(C[NH+]3CCC(C)CC3)cc(=O)oc2c1C ZINC000002241097 567073311 /nfs/dbraw/zinc/07/33/11/567073311.db2.gz JIEIDDVGKNGOAO-UHFFFAOYSA-N 1 0 299.414 3.950 50 0 biogenic CHAARO Clc1ccc([C@H]2C[N@@H+](C3CCSCC3)CCO2)cc1 ZINC000092901829 567090731 /nfs/dbraw/zinc/09/07/31/567090731.db2.gz PDNZQFNCEUGBOG-OAHLLOKOSA-N 1 0 297.851 3.609 50 0 CHAARO C[C@H]([NH3+])C1=CCC=C1P(c1ccccc1)c1ccccc1 ZINC000100032110 567091630 /nfs/dbraw/zinc/09/16/30/567091630.db2.gz NVGLJKQWRJMPSO-HNNXBMFYSA-N 1 0 293.350 3.681 50 0 CHAARO CCCO[P@@](C)(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000020111218 567125023 /nfs/dbraw/zinc/12/50/23/567125023.db2.gz IRSGFXOKDNHIQR-CKFHNAJUSA-N 1 0 289.356 3.517 50 0 biogenic CHAARO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)CCc1ccccc1)CCC2 ZINC000095402207 567128249 /nfs/dbraw/zinc/12/82/49/567128249.db2.gz VOGUPXQIKUDKHM-CRAIPNDOSA-N 1 0 297.446 3.680 50 0 CHAARO CCC1CCC([NH2+]C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000095365099 567129488 /nfs/dbraw/zinc/12/94/88/567129488.db2.gz ORVLGQVEUDAFFX-BDVYOWHSSA-N 1 0 261.409 3.587 50 0 CHAARO C[C@@H]([NH2+]Cc1ccnc2[nH]ccc21)c1ccc(F)cc1F ZINC000095462180 567134583 /nfs/dbraw/zinc/13/45/83/567134583.db2.gz HBYXFOCJWWYYKN-SNVBAGLBSA-N 1 0 287.313 3.692 50 0 CHAARO CC[N@H+](Cc1ccc(OC)s1)C1CCCCC1 ZINC000095453797 567134800 /nfs/dbraw/zinc/13/48/00/567134800.db2.gz IXSGKFBSXFJMNW-UHFFFAOYSA-N 1 0 253.411 3.911 50 0 CHAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc2nccn21 ZINC000095443048 567134864 /nfs/dbraw/zinc/13/48/64/567134864.db2.gz RJESSWFSNOEMAC-UHFFFAOYSA-N 1 0 259.397 3.639 50 0 CHAARO CCC(CC)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000095961296 567136678 /nfs/dbraw/zinc/13/66/78/567136678.db2.gz LRELLXZEHWTZKP-AWEZNQCLSA-N 1 0 294.826 3.614 50 0 CHAARO c1ccc(O[C@@H]2CCC[NH2+][C@@H]2c2ccccc2)cc1 ZINC000096027211 567139286 /nfs/dbraw/zinc/13/92/86/567139286.db2.gz NMSLARHWBMBDOA-IAGOWNOFSA-N 1 0 253.345 3.559 50 0 CHAARO C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000097221269 567142709 /nfs/dbraw/zinc/14/27/09/567142709.db2.gz VZULWJPENBNBLQ-OAHLLOKOSA-N 1 0 267.372 3.574 50 0 CHAARO Cc1ccccc1[C@H]1[C@H](OCC[NH+](C)C)CCC[C@@H]1C ZINC000230213548 567160178 /nfs/dbraw/zinc/16/01/78/567160178.db2.gz MBPBUYNCPNBLHG-JQHSSLGASA-N 1 0 275.436 3.845 50 0 CHAARO CCN(Cc1ccncc1)Cn1c2ccccc2oc1=S ZINC000003281470 567168110 /nfs/dbraw/zinc/16/81/10/567168110.db2.gz VRNKRPLPHSOGRJ-UHFFFAOYSA-N 1 0 299.399 3.838 50 0 CHAARO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000217907394 567178992 /nfs/dbraw/zinc/17/89/92/567178992.db2.gz NIXRWAKIVVHSPX-LSDHHAIUSA-N 1 0 296.455 3.745 50 0 CHAARO CCC[N@@H+]1C[C@H](C)[C@](OC(C)=O)(c2ccccc2)C[C@@H]1C ZINC000004188674 567190040 /nfs/dbraw/zinc/19/00/40/567190040.db2.gz KOICPRXXJBUEBL-MPGHIAIKSA-N 1 0 289.419 3.585 50 0 CHAARO O=C1CCCc2c3cc(C[NH+]4CCCCC4)ccc3[nH]c21 ZINC000000210383 567822385 /nfs/dbraw/zinc/82/23/85/567822385.db2.gz OCMQUXKUYMPMAT-UHFFFAOYSA-N 1 0 282.387 3.673 50 0 CHAARO Clc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000000212310 567822478 /nfs/dbraw/zinc/82/24/78/567822478.db2.gz UOSMKTQSOOTMMY-UHFFFAOYSA-N 1 0 292.854 3.790 50 0 CHAARO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000210656 567822604 /nfs/dbraw/zinc/82/26/04/567822604.db2.gz AXRAWKAINQRNFO-AWEZNQCLSA-N 1 0 289.419 3.625 50 0 CHAARO [NH3+]C[C@@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000000346944 567825777 /nfs/dbraw/zinc/82/57/77/567825777.db2.gz QCWCAHQGBJXAGH-MRXNPFEDSA-N 1 0 255.748 3.914 50 0 CHAARO C[NH+](C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000347709 567826170 /nfs/dbraw/zinc/82/61/70/567826170.db2.gz NDHAKDUHGJQXSW-UHFFFAOYSA-N 1 0 291.341 3.632 50 0 CHAARO c1csc(-c2c[n+]3ccccc3n2-c2ccccc2)c1 ZINC000000390333 567828447 /nfs/dbraw/zinc/82/84/47/567828447.db2.gz AMXKCYJVRIZAPF-UHFFFAOYSA-N 1 0 277.372 3.945 50 0 CHAARO CCn1cnc2cc(NCc3cccs3)ccc21 ZINC000000423367 567829991 /nfs/dbraw/zinc/82/99/91/567829991.db2.gz XPMFXDUQDTUZEU-UHFFFAOYSA-N 1 0 257.362 3.730 50 0 CHAARO CCC[NH+]1CCC(Nc2cccc(SC)c2)CC1 ZINC000000758128 567834711 /nfs/dbraw/zinc/83/47/11/567834711.db2.gz PNJNTIWWYKZTGP-UHFFFAOYSA-N 1 0 264.438 3.695 50 0 CHAARO C[NH+]1CCC(=C2c3ccccc3CCc3cccnc32)CC1 ZINC000000968337 567835391 /nfs/dbraw/zinc/83/53/91/567835391.db2.gz SEBMTIQKRHYNIT-UHFFFAOYSA-N 1 0 290.410 3.708 50 0 world CHAARO CCOCCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000002178109 567845259 /nfs/dbraw/zinc/84/52/59/567845259.db2.gz HJVLPYHYXNHOHO-UHFFFAOYSA-N 1 0 299.414 3.782 50 0 CHAARO Cc1[nH]c2ccc(C)cc2c1CC[NH2+]Cc1ccccn1 ZINC000002455607 567845972 /nfs/dbraw/zinc/84/59/72/567845972.db2.gz VYYIRJZEVOATIL-UHFFFAOYSA-N 1 0 279.387 3.512 50 0 biogenic CHAARO COc1ccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000002514550 567846403 /nfs/dbraw/zinc/84/64/03/567846403.db2.gz WGNKLEOMNXCKBY-UHFFFAOYSA-N 1 0 295.382 3.522 50 0 CHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)C1CCCC1 ZINC000002515095 567846642 /nfs/dbraw/zinc/84/66/42/567846642.db2.gz OSPMARLOEOBZLR-UHFFFAOYSA-N 1 0 257.377 3.655 50 0 CHAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000002573310 567848463 /nfs/dbraw/zinc/84/84/63/567848463.db2.gz QENTZLVVHHHDSF-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO Cc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2)cc1C ZINC000002760765 567848972 /nfs/dbraw/zinc/84/89/72/567848972.db2.gz GLXIBYDGQLWXHF-UHFFFAOYSA-N 1 0 296.414 3.764 50 0 CHAARO Cc1ccc(C)c(OCCC[NH2+]Cc2ccccc2)c1 ZINC000002823615 567849628 /nfs/dbraw/zinc/84/96/28/567849628.db2.gz HWIZGKZAZWSZCW-UHFFFAOYSA-N 1 0 269.388 3.862 50 0 CHAARO Cc1ccc(OCCC[NH+]2CCCC2)c(Cl)c1 ZINC000002898075 567850382 /nfs/dbraw/zinc/85/03/82/567850382.db2.gz CZFNZDOCDHGYRN-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO Cc1ccc(OCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000002902577 567850564 /nfs/dbraw/zinc/85/05/64/567850564.db2.gz DNSPGULDPMQRDK-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO CC1CC[NH+](Cn2c3ccccc3oc2=S)CC1 ZINC000003683851 567853635 /nfs/dbraw/zinc/85/36/35/567853635.db2.gz JQQHQIUAQLHWQQ-UHFFFAOYSA-N 1 0 262.378 3.653 50 0 biogenic CHAARO C[NH2+]Cc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000003710578 567853777 /nfs/dbraw/zinc/85/37/77/567853777.db2.gz DCHDQMOAKLRKST-UHFFFAOYSA-N 1 0 260.406 3.827 50 0 CHAARO [NH3+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000003886701 567854172 /nfs/dbraw/zinc/85/41/72/567854172.db2.gz DWOFRWCQQMUIRA-CYBMUJFWSA-N 1 0 270.763 3.912 50 0 CHAARO Cc1cccc(C(=O)O[C@@H](C)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000003904885 567854261 /nfs/dbraw/zinc/85/42/61/567854261.db2.gz CDLAWMHMQXCIAA-JYJNAYRXSA-N 1 0 289.419 3.803 50 0 CHAARO CCOc1ccc2ccccc2c1C[NH2+]Cc1ccncc1 ZINC000004413610 567857378 /nfs/dbraw/zinc/85/73/78/567857378.db2.gz ZTMNQQJMFLNGNQ-UHFFFAOYSA-N 1 0 292.382 3.923 50 0 CHAARO Brc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000004480528 567857854 /nfs/dbraw/zinc/85/78/54/567857854.db2.gz VEACIKSVOHWIRD-UHFFFAOYSA-N 1 0 268.198 3.871 50 0 CHAARO CCc1ccc(C[NH2+]CCc2ccccc2OC)cc1 ZINC000004614720 567858444 /nfs/dbraw/zinc/85/84/44/567858444.db2.gz ZJXROLFTOMMAQX-UHFFFAOYSA-N 1 0 269.388 3.590 50 0 CHAARO C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000097377476 567860532 /nfs/dbraw/zinc/86/05/32/567860532.db2.gz DUBTYBVPTYPING-SMDDNHRTSA-N 1 0 289.354 3.544 50 0 CHAARO CC(C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000010435947 567861351 /nfs/dbraw/zinc/86/13/51/567861351.db2.gz CCERPQSYPYHXGN-UHFFFAOYSA-N 1 0 273.351 3.903 50 0 CHAARO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000010287119 567861439 /nfs/dbraw/zinc/86/14/39/567861439.db2.gz ZWMVGFMLEDOQBC-UHFFFAOYSA-N 1 0 294.398 3.559 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CC(c2ccccc2)C1 ZINC000032558322 567861886 /nfs/dbraw/zinc/86/18/86/567861886.db2.gz FKQHUIPXVRUEGN-ODIFPOPNSA-N 1 0 275.436 3.852 50 0 CHAARO C/C=C(\C)C[N@@H+]1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000012050953 567862387 /nfs/dbraw/zinc/86/23/87/567862387.db2.gz FKNYLVWADQTXRH-JORANLSZSA-N 1 0 262.372 3.668 50 0 CHAARO CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@H]2[NH2+]CC1CC1 ZINC000012578896 567863504 /nfs/dbraw/zinc/86/35/04/567863504.db2.gz GXEMERWGDQMRFC-CQSZACIVSA-N 1 0 287.451 3.787 50 0 CHAARO Cc1cc(C)c2nc(NCC[NH+]3CCCC3)cc(C)c2c1 ZINC000013058768 567864681 /nfs/dbraw/zinc/86/46/81/567864681.db2.gz YJNRKETZBFFCFY-UHFFFAOYSA-N 1 0 283.419 3.668 50 0 CHAARO C[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000013731818 567867676 /nfs/dbraw/zinc/86/76/76/567867676.db2.gz IRJNNZSKGXPISD-UHFFFAOYSA-N 1 0 291.192 3.649 50 0 CHAARO Cc1cc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c(C)c1Cl ZINC000014631348 567869622 /nfs/dbraw/zinc/86/96/22/567869622.db2.gz ZPCNFAPYQMLHOQ-LLVKDONJSA-N 1 0 288.218 3.989 50 0 CHAARO c1c(-c2ccccc2)[n+](-c2ccccc2)c2n1CCS2 ZINC000015952636 567871670 /nfs/dbraw/zinc/87/16/70/567871670.db2.gz DRUMPVMKOJHDRC-UHFFFAOYSA-N 1 0 279.388 3.538 50 0 CHAARO CCN(CC[NH+](C)C)Cc1ccc(-c2ccccc2)cc1 ZINC000019633292 567877808 /nfs/dbraw/zinc/87/78/08/567877808.db2.gz IDJZNGAHWBCYEJ-UHFFFAOYSA-N 1 0 282.431 3.737 50 0 CHAARO C[C@@H]1CC[C@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000019608940 567878181 /nfs/dbraw/zinc/87/81/81/567878181.db2.gz JZMSNXHBFBQKRJ-RNHKPAHNSA-N 1 0 284.447 3.506 50 0 CHAARO Clc1ccccc1CN1CCc2sccc2C1 ZINC000019594599 567878193 /nfs/dbraw/zinc/87/81/93/567878193.db2.gz PHWBOXQYWZNQIN-UHFFFAOYSA-N 1 0 263.793 3.960 50 0 fda CHAARO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000019737863 567878681 /nfs/dbraw/zinc/87/86/81/567878681.db2.gz GOELAECIDCMZCB-HUUCEWRRSA-N 1 0 285.387 3.813 50 0 CHAARO C[C@H](C[NH2+]C[C@@H]1CCCO1)Oc1ccc(C(C)(C)C)cc1 ZINC000019737906 567878912 /nfs/dbraw/zinc/87/89/12/567878912.db2.gz SEYDLTAVGGJHPD-PBHICJAKSA-N 1 0 291.435 3.520 50 0 CHAARO Cc1ccccc1CN1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000019789329 567879082 /nfs/dbraw/zinc/87/90/82/567879082.db2.gz JJINYRCDIFJXFF-APWZRJJASA-N 1 0 286.463 3.691 50 0 CHAARO COc1ccc(CC[NH2+]Cc2ccccc2Cl)cc1 ZINC000019832213 567879231 /nfs/dbraw/zinc/87/92/31/567879231.db2.gz ZGLXLHFLEFATAX-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019881995 567879680 /nfs/dbraw/zinc/87/96/80/567879680.db2.gz VERWMFMRAAXIBX-ZJUUUORDSA-N 1 0 256.187 3.898 50 0 CHAARO CC(C)C[NH2+][C@@H](C)c1ccccc1Br ZINC000019883074 567879714 /nfs/dbraw/zinc/87/97/14/567879714.db2.gz DFMFZIVIWUYHPF-JTQLQIEISA-N 1 0 256.187 3.756 50 0 CHAARO CCCC[NH2+][C@@H](C)c1ccccc1Br ZINC000019907005 567879729 /nfs/dbraw/zinc/87/97/29/567879729.db2.gz PDCQELOYFSUYFS-JTQLQIEISA-N 1 0 256.187 3.900 50 0 CHAARO CC(C)C[NH2+][C@H](C)c1ccccc1Br ZINC000019883075 567879774 /nfs/dbraw/zinc/87/97/74/567879774.db2.gz DFMFZIVIWUYHPF-SNVBAGLBSA-N 1 0 256.187 3.756 50 0 CHAARO Cc1ncccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000019952889 567880243 /nfs/dbraw/zinc/88/02/43/567880243.db2.gz UREINXJFPWMQCH-UHFFFAOYSA-N 1 0 298.405 3.984 50 0 CHAARO C[C@H]1CC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000023280496 567881707 /nfs/dbraw/zinc/88/17/07/567881707.db2.gz MUKACTBNOKAZQD-BBRMVZONSA-N 1 0 278.827 3.651 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000023282203 567881959 /nfs/dbraw/zinc/88/19/59/567881959.db2.gz RQWZDJWWBYJQTC-UHFFFAOYSA-N 1 0 286.444 3.687 50 0 CHAARO C[NH2+]Cc1ccccc1Oc1ccc(C)cc1OC ZINC000034825421 567882550 /nfs/dbraw/zinc/88/25/50/567882550.db2.gz KUPYYRDCJKBIQJ-UHFFFAOYSA-N 1 0 257.333 3.515 50 0 CHAARO Brc1ccc(SC[C@H]2CCCC[NH2+]2)cc1 ZINC000026291414 567882877 /nfs/dbraw/zinc/88/28/77/567882877.db2.gz BHNBREVDQYPEDB-LLVKDONJSA-N 1 0 286.238 3.683 50 0 CHAARO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000072287554 567884422 /nfs/dbraw/zinc/88/44/22/567884422.db2.gz BKAATQKPXWVGSZ-HKUYNNGSSA-N 1 0 299.414 3.723 50 0 CHAARO c1cc2c(cccc2C[NH2+]Cc2cccc3[nH]ccc32)[nH]1 ZINC000030825564 567884787 /nfs/dbraw/zinc/88/47/87/567884787.db2.gz ICVOGWNZGCCJNK-UHFFFAOYSA-N 1 0 275.355 3.939 50 0 CHAARO Clc1cccc(OCCCCC[NH+]2CCCC2)c1 ZINC000002494441 567887754 /nfs/dbraw/zinc/88/77/54/567887754.db2.gz BFYGTUXTIUICRI-UHFFFAOYSA-N 1 0 267.800 3.985 50 0 CHAARO CCC[C@@H]([NH2+]CC(C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000002495699 567887891 /nfs/dbraw/zinc/88/78/91/567887891.db2.gz MXNCAQDYAWMWQF-MRXNPFEDSA-N 1 0 290.451 3.965 50 0 CHAARO CCC1CCC([N@H+](CC)CCN(CC)CC)CC1 ZINC000022027610 567888245 /nfs/dbraw/zinc/88/82/45/567888245.db2.gz QNPGAEGIOXXJJD-UHFFFAOYSA-N 1 0 254.462 3.619 50 0 CHAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc2ccccc2c1 ZINC000022078273 567888322 /nfs/dbraw/zinc/88/83/22/567888322.db2.gz RUZOSVXUXMDZIJ-BEFAXECRSA-N 1 0 280.415 3.508 50 0 CHAARO Clc1cc(-c2ccccc2)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042770767 567891552 /nfs/dbraw/zinc/89/15/52/567891552.db2.gz PIUSXJQWXHFWLY-ZDUSSCGKSA-N 1 0 287.790 3.995 50 0 CHAARO Clc1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1Cl ZINC000058391431 567896106 /nfs/dbraw/zinc/89/61/06/567896106.db2.gz DJBONEAUIFSCEZ-UHFFFAOYSA-N 1 0 299.245 3.664 50 0 CHAARO CC[C@H]1CCCC[N@@H+]1Cc1nc2cc(F)ccc2n1CC ZINC000060375378 567896599 /nfs/dbraw/zinc/89/65/99/567896599.db2.gz UBIVJYASTZKXLJ-AWEZNQCLSA-N 1 0 289.398 3.960 50 0 CHAARO CCCC[N@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000060378866 567896810 /nfs/dbraw/zinc/89/68/10/567896810.db2.gz RXBKAHQYLCOGOO-UHFFFAOYSA-N 1 0 291.435 3.601 50 0 CHAARO COCC[N@H+](CC[C@H](C)SC)Cc1sccc1C ZINC000063833373 567897755 /nfs/dbraw/zinc/89/77/55/567897755.db2.gz SYNURGAOHVCHBU-ZDUSSCGKSA-N 1 0 287.494 3.647 50 0 CHAARO Cc1cnccc1C[N@@H+](C)Cc1cn(C)c2ccccc12 ZINC000065381727 567898491 /nfs/dbraw/zinc/89/84/91/567898491.db2.gz KTMMTZSFINXIAJ-UHFFFAOYSA-N 1 0 279.387 3.514 50 0 CHAARO C[N@@H+]1CCCC[C@H]1Cn1cnc(-c2ccccc2)c1C1CC1 ZINC000065406109 567899088 /nfs/dbraw/zinc/89/90/88/567899088.db2.gz SSVOIILOKQILHB-KRWDZBQOSA-N 1 0 295.430 3.912 50 0 CHAARO CCn1cc(-c2cccc([C@@H](C)[NH+](C)C)c2)c(C)n1 ZINC000065456383 567899128 /nfs/dbraw/zinc/89/91/28/567899128.db2.gz SHROKEYPIIOAIK-CYBMUJFWSA-N 1 0 257.381 3.501 50 0 CHAARO COc1cc(OC)cc(-c2cccc([C@H](C)[NH+](C)C)c2)c1 ZINC000065408577 567899271 /nfs/dbraw/zinc/89/92/71/567899271.db2.gz HHUZQZJSDWZWKH-ZDUSSCGKSA-N 1 0 285.387 3.993 50 0 CHAARO CC1(C)CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000067674197 567900145 /nfs/dbraw/zinc/90/01/45/567900145.db2.gz UETFRUNEOYNLAD-CYBMUJFWSA-N 1 0 292.398 3.713 50 0 CHAARO Fc1ccc([C@H]2CC[N@H+](Cc3ccsc3)C2)cc1 ZINC000072424692 567902684 /nfs/dbraw/zinc/90/26/84/567902684.db2.gz MZSIFJPAYOCIJZ-AWEZNQCLSA-N 1 0 261.365 3.877 50 0 CHAARO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(F)cc1 ZINC000097037038 567902977 /nfs/dbraw/zinc/90/29/77/567902977.db2.gz ISLLPFFAZGQQSP-KSSFIOAISA-N 1 0 299.393 3.543 50 0 CHAARO Cc1ccc([C@@H]([NH2+]Cc2cnn(C)c2)c2cccs2)cc1 ZINC000097123798 567904481 /nfs/dbraw/zinc/90/44/81/567904481.db2.gz CEUUJAIUNNTZLK-QGZVFWFLSA-N 1 0 297.427 3.669 50 0 CHAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000097159256 567905040 /nfs/dbraw/zinc/90/50/40/567905040.db2.gz GNKRIRHEYVPXHM-UHFFFAOYSA-N 1 0 299.418 3.638 50 0 CHAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219862 567907246 /nfs/dbraw/zinc/90/72/46/567907246.db2.gz CODCTQSVVVCCFR-QMMMGPOBSA-N 1 0 276.605 3.991 50 0 CHAARO CCCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219887 567907277 /nfs/dbraw/zinc/90/72/77/567907277.db2.gz SYVXPSYJSVVSSC-UHFFFAOYSA-N 1 0 276.605 3.992 50 0 CHAARO C[N@@H+](Cc1ccc2cc(O)ccc2c1)C[C@@H]1CCCCO1 ZINC000097463648 567910459 /nfs/dbraw/zinc/91/04/59/567910459.db2.gz NAXKMAZDUFRXPU-SFHVURJKSA-N 1 0 285.387 3.546 50 0 CHAARO O[C@H]1CCC[N@H+](Cc2ccc(C3CCCC3)s2)CC1 ZINC000097660706 567911016 /nfs/dbraw/zinc/91/10/16/567911016.db2.gz FCJAQJQLUIAWEA-AWEZNQCLSA-N 1 0 279.449 3.753 50 0 CHAARO C[NH+](C)CCC[C@]1(O)CCCC[C@H]1Sc1ccccc1 ZINC000000346338 567927063 /nfs/dbraw/zinc/92/70/63/567927063.db2.gz PEKSNELRDZFZJS-IAGOWNOFSA-N 1 0 293.476 3.794 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]1C[C@@H]2CCCC[C@H]2[C@@H]31 ZINC000247937542 567928364 /nfs/dbraw/zinc/92/83/64/567928364.db2.gz HKCFIODYAGNXJQ-CFZJUORYSA-N 1 0 296.414 3.896 50 0 biogenic CHAARO Cc1nn(C)cc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000426484431 567929146 /nfs/dbraw/zinc/92/91/46/567929146.db2.gz KFCFIRSQCGYXGT-CQSZACIVSA-N 1 0 269.392 3.552 50 0 CHAARO OCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000000209435 567930108 /nfs/dbraw/zinc/93/01/08/567930108.db2.gz YPRZYMJRAMUODQ-LBPRGKRZSA-N 1 0 288.218 3.730 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000017312459 567935179 /nfs/dbraw/zinc/93/51/79/567935179.db2.gz RWWAFGQFVXJYGT-AWEZNQCLSA-N 1 0 282.387 3.538 50 0 CHAARO C[NH+]1CCC(CSc2cccc(Cl)c2)CC1 ZINC000002529372 567937752 /nfs/dbraw/zinc/93/77/52/567937752.db2.gz POANETFXVQCAOG-UHFFFAOYSA-N 1 0 255.814 3.774 50 0 CHAARO Cc1nc(CC[N@@H+]2CCC[C@H]2c2ccccc2)cs1 ZINC000163336573 567937965 /nfs/dbraw/zinc/93/79/65/567937965.db2.gz VPCLOOZDQXEGNV-INIZCTEOSA-N 1 0 272.417 3.831 50 0 CHAARO COc1ccccc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000013718445 567942067 /nfs/dbraw/zinc/94/20/67/567942067.db2.gz DPGWXSRIXDROHQ-AWEZNQCLSA-N 1 0 255.361 3.589 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000014168492 567942533 /nfs/dbraw/zinc/94/25/33/567942533.db2.gz DRIPMRJSCSTJNN-AWEZNQCLSA-N 1 0 282.387 3.804 50 0 CHAARO C([C@@H]1CO[C@]2(CC[C@H]3CCCC[C@@H]3C2)O1)[NH+]1CCCCC1 ZINC000101120267 567943631 /nfs/dbraw/zinc/94/36/31/567943631.db2.gz XBGMCAWJVPHBRD-BRSBDYLESA-N 1 0 293.451 3.574 50 0 CHAARO CSc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000015066860 567943878 /nfs/dbraw/zinc/94/38/78/567943878.db2.gz KWYSAFRBEQKSAG-HNNXBMFYSA-N 1 0 285.412 3.502 50 0 CHAARO CCC(=O)O[C@@](CC)(c1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000071772226 567948313 /nfs/dbraw/zinc/94/83/13/567948313.db2.gz OBYFEDCJFQJOBI-AEFFLSMTSA-N 1 0 289.419 3.587 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+]CCc2cccc(F)c2)cc1 ZINC000023282649 567948744 /nfs/dbraw/zinc/94/87/44/567948744.db2.gz XRWIRVFAZUGYNT-AWEZNQCLSA-N 1 0 287.378 3.598 50 0 CHAARO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225132525 567952188 /nfs/dbraw/zinc/95/21/88/567952188.db2.gz CTFVTRWWEXZJPZ-GRYCIOLGSA-N 1 0 291.420 3.837 50 0 CHAARO C[C@@H]1Cc2ccccc2C[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000225519187 567954068 /nfs/dbraw/zinc/95/40/68/567954068.db2.gz AFYLARMYIVYNDO-CQSZACIVSA-N 1 0 289.419 3.555 50 0 CHAARO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](C)CC(C)C)c1C ZINC000225626212 567954446 /nfs/dbraw/zinc/95/44/46/567954446.db2.gz MXNLAIWVTKBNGA-AWEZNQCLSA-N 1 0 290.451 3.856 50 0 CHAARO CC(C)(CO)[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000225672692 567954644 /nfs/dbraw/zinc/95/46/44/567954644.db2.gz SDJRMRJBRZFRJZ-QGZVFWFLSA-N 1 0 287.378 3.675 50 0 CHAARO CC(C)Oc1ccccc1-c1cc(C[NH3+])ccc1F ZINC000067676263 570214849 /nfs/dbraw/zinc/21/48/49/570214849.db2.gz MEUSAYLYNIHLAF-UHFFFAOYSA-N 1 0 259.324 3.739 50 0 CHAARO CCOCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000004688967 570216022 /nfs/dbraw/zinc/21/60/22/570216022.db2.gz WEIHRESVMFZNGH-UHFFFAOYSA-N 1 0 262.180 3.510 50 0 CHAARO Cc1c(SC(N)=[NH2+])c2ccccc2n1Cc1ccccc1 ZINC000026422298 570231995 /nfs/dbraw/zinc/23/19/95/570231995.db2.gz PZZWSKVCPINBKE-UHFFFAOYSA-N 1 0 295.411 3.984 50 0 CHAARO COc1ccc(NC2=[NH+]c3ccccc3SC2)cc1 ZINC000026509170 570232213 /nfs/dbraw/zinc/23/22/13/570232213.db2.gz IRWSNKSAFONACI-UHFFFAOYSA-N 1 0 270.357 3.943 50 0 CHAARO CC[NH+](CC)CC(=O)n1c2ccccc2c2c1CCCC2 ZINC000036262336 570233553 /nfs/dbraw/zinc/23/35/53/570233553.db2.gz PTLTVKPIFSEZMG-UHFFFAOYSA-N 1 0 284.403 3.502 50 0 CHAARO COCC[N@H+](C/C=C/c1ccccc1)Cc1cccc(O)c1 ZINC000055282563 570241790 /nfs/dbraw/zinc/24/17/90/570241790.db2.gz MJQDNPAPXUEQBA-UXBLZVDNSA-N 1 0 297.398 3.554 50 0 CHAARO Cc1ccsc1C[N@@H+](Cc1nccn1C)C1CCCC1 ZINC000055271113 570242145 /nfs/dbraw/zinc/24/21/45/570242145.db2.gz FSGFBQKXEWCCSJ-UHFFFAOYSA-N 1 0 289.448 3.735 50 0 CHAARO CCCC1([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000055392945 570243297 /nfs/dbraw/zinc/24/32/97/570243297.db2.gz MGRDTIVMCNKHFA-UHFFFAOYSA-N 1 0 273.355 3.638 50 0 CHAARO CCc1ccc2oc(=O)cc(C[NH+]3CCCCCC3)c2c1 ZINC000033087999 570246923 /nfs/dbraw/zinc/24/69/23/570246923.db2.gz TWKDMPCRNULLMP-UHFFFAOYSA-N 1 0 285.387 3.731 50 0 CHAARO c1ccc(CC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000004675665 570247770 /nfs/dbraw/zinc/24/77/70/570247770.db2.gz CEDMLBQYSAIYFU-UHFFFAOYSA-N 1 0 266.388 3.536 50 0 CHAARO CC1(C)CCC(c2ccc(Cl)c(Cl)c2)[N+]1=O ZINC000003051262 570278656 /nfs/dbraw/zinc/27/86/56/570278656.db2.gz JGCZOQJLYGTEKR-UHFFFAOYSA-N 1 0 258.148 3.865 50 0 CHAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1ccc(F)c(Cl)c1 ZINC000215986356 570304716 /nfs/dbraw/zinc/30/47/16/570304716.db2.gz WHWOMVRWIWUUEW-ZDUSSCGKSA-N 1 0 285.790 3.870 50 0 CHAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000048234281 570296566 /nfs/dbraw/zinc/29/65/66/570296566.db2.gz KUFATXDEUFOYPC-SFHVURJKSA-N 1 0 266.388 3.770 50 0 CHAARO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000048331691 570297416 /nfs/dbraw/zinc/29/74/16/570297416.db2.gz LLUPUXQFIFTIRL-LBPRGKRZSA-N 1 0 289.400 3.712 50 0 CHAARO COCC[C@@H]1CCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000215440721 570302971 /nfs/dbraw/zinc/30/29/71/570302971.db2.gz BIXDROWBUOYHPA-INIZCTEOSA-N 1 0 272.392 3.559 50 0 CHAARO Cc1ccc2ncccc2c1C[N@H+]1CC=C[C@H]1C(C)C ZINC000216511544 570305504 /nfs/dbraw/zinc/30/55/04/570305504.db2.gz RKBZUUYQGFMMHL-SFHVURJKSA-N 1 0 266.388 3.940 50 0 CHAARO CCn1cc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cn1 ZINC000216531091 570305558 /nfs/dbraw/zinc/30/55/58/570305558.db2.gz UMWOUEJUOAOCGC-HNNXBMFYSA-N 1 0 289.810 3.546 50 0 CHAARO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(Cl)cc1 ZINC000062999141 570309390 /nfs/dbraw/zinc/30/93/90/570309390.db2.gz FOPWRQRGJLMNGK-MLGOLLRUSA-N 1 0 275.779 3.724 50 0 CHAARO CCCn1ncc(C[NH+]2CCC(c3ccccc3)CC2)c1C ZINC000219074576 570309443 /nfs/dbraw/zinc/30/94/43/570309443.db2.gz KOIQSUULOWBMNZ-UHFFFAOYSA-N 1 0 297.446 3.981 50 0 CHAARO CC(C)Cn1cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cn1 ZINC000190961840 570352489 /nfs/dbraw/zinc/35/24/89/570352489.db2.gz ISQFHBMCRJDFAO-CRAIPNDOSA-N 1 0 298.434 3.517 50 0 CHAARO C[N@H+](CCc1ccc(Br)cc1)C1CCCC1 ZINC000089346442 570356242 /nfs/dbraw/zinc/35/62/42/570356242.db2.gz XQIPMYAIKDIZIB-UHFFFAOYSA-N 1 0 282.225 3.866 50 0 CHAARO CCc1ccccc1OCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002821931 570371410 /nfs/dbraw/zinc/37/14/10/570371410.db2.gz FXIYMLSHBZTYLT-HOTGVXAUSA-N 1 0 275.436 3.996 50 0 CHAARO c1ccc(C2(C[NH2+][C@@H]3CCCOC3)CCCCC2)cc1 ZINC000584886958 570385575 /nfs/dbraw/zinc/38/55/75/570385575.db2.gz HOMFTZGVHOLTGU-QGZVFWFLSA-N 1 0 273.420 3.657 50 0 CHAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc3c[nH]nc32)n1 ZINC000093453332 570396022 /nfs/dbraw/zinc/39/60/22/570396022.db2.gz ZJRPLMJWLUSZHQ-QGZVFWFLSA-N 1 0 292.386 3.603 50 0 CHAARO c1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2nnc(C3CCC3)o2)cc1 ZINC000133552679 570400210 /nfs/dbraw/zinc/40/02/10/570400210.db2.gz WKFWNBHSASJUJF-JKSUJKDBSA-N 1 0 297.402 3.763 50 0 CHAARO CCCOC[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000670451880 570400221 /nfs/dbraw/zinc/40/02/21/570400221.db2.gz ZCPBOEMKDUXZJY-CQSZACIVSA-N 1 0 299.361 3.537 50 0 CHAARO c1ccc(-c2nnc(C[NH+]3CCCCCCC3)o2)cc1 ZINC000032652323 570409473 /nfs/dbraw/zinc/40/94/73/570409473.db2.gz CXCHMGFXBAJFKI-UHFFFAOYSA-N 1 0 271.364 3.503 50 0 CHAARO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc2cc(O)ccc2c1 ZINC000952963041 615113256 /nfs/dbraw/zinc/11/32/56/615113256.db2.gz FEKDARJRBLGYMF-GOSISDBHSA-N 1 0 298.430 3.509 50 0 CHAARO CC[C@H]1C=CC[N@@H+]1Cc1ccc2cc(O)ccc2c1 ZINC000952983191 615877405 /nfs/dbraw/zinc/87/74/05/615877405.db2.gz SENIDHKDOILLQR-INIZCTEOSA-N 1 0 253.345 3.696 50 0 CHAARO Cc1cccc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)c1C ZINC000089578978 1129240546 /nfs/dbraw/zinc/24/05/46/1129240546.db2.gz CCVKFXWFQBTAQZ-AWEZNQCLSA-N 1 0 287.407 3.703 50 0 CHAARO CCOC(=O)[C@@H](CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000080124917 1125723064 /nfs/dbraw/zinc/72/30/64/1125723064.db2.gz WKVJVVGZQUOUOY-KRWDZBQOSA-N 1 0 291.435 3.842 50 0 CHAARO C[C@H](c1ccccc1)N(C)Cc1nc(-c2ccoc2)no1 ZINC000170938792 1127666620 /nfs/dbraw/zinc/66/66/20/1127666620.db2.gz STQNFTWFPLTBAJ-GFCCVEGCSA-N 1 0 283.331 3.523 50 0 CHAARO C[C@@H](CCCC(C)(C)O)CC[NH2+]Cc1ccsc1 ZINC000032561825 1127972573 /nfs/dbraw/zinc/97/25/73/1127972573.db2.gz XDMUYYWDEGUVFO-ZDUSSCGKSA-N 1 0 269.454 3.805 50 0 CHAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000000279336 1128088203 /nfs/dbraw/zinc/08/82/03/1128088203.db2.gz CSEIZIUAIKPHGU-LLVKDONJSA-N 1 0 298.224 3.690 50 0 CHAARO COCC[C@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000670449228 1128540892 /nfs/dbraw/zinc/54/08/92/1128540892.db2.gz QJVZXIMPHUPYFK-GOSISDBHSA-N 1 0 275.436 3.758 50 0 CHAARO C[C@H]([NH2+]CCCC1(O)CCC1)c1coc2ccccc21 ZINC000863982559 1128709474 /nfs/dbraw/zinc/70/94/74/1128709474.db2.gz SZWOYUMGJUSNAF-ZDUSSCGKSA-N 1 0 273.376 3.779 50 0 CHAARO Cc1c(Cl)cccc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007811363 1128727120 /nfs/dbraw/zinc/72/71/20/1128727120.db2.gz QMMOLIBYCUKGHP-VXGBXAGGSA-N 1 0 294.826 3.565 50 0 CHAARO c1ccc(CC[C@@H]2CCCC[N@@H+]2CCc2cccnc2)nc1 ZINC000019792893 1120192207 /nfs/dbraw/zinc/19/22/07/1120192207.db2.gz HPMJVMQYNPPQCS-IBGZPJMESA-N 1 0 295.430 3.506 50 0 CHAARO CO[C@H](c1ccc(-c2ccc(OC3CC3)cc2)cc1)[C@@H](C)[NH3+] ZINC000530247862 1120194557 /nfs/dbraw/zinc/19/45/57/1120194557.db2.gz COUIYKURHYAXKY-YJYMSZOUSA-N 1 0 297.398 3.930 50 0 CHAARO C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccccc1 ZINC000216154875 1120244647 /nfs/dbraw/zinc/24/46/47/1120244647.db2.gz JKSAHXZWJRUXFO-OAHLLOKOSA-N 1 0 288.435 3.566 50 0 CHAARO CC[C@H]1C[N@H+](CC2CC2)Cc2ccc(Cl)cc2O1 ZINC000014951664 1120545182 /nfs/dbraw/zinc/54/51/82/1120545182.db2.gz IRDVYOYIAZMYNK-AWEZNQCLSA-N 1 0 265.784 3.723 50 0 CHAARO CO[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000509149198 1120674728 /nfs/dbraw/zinc/67/47/28/1120674728.db2.gz CLUYUUIKWWHKGO-SFHVURJKSA-N 1 0 289.419 3.619 50 0 CHAARO Cc1cc2c(cn1)/C(=C\C=C\[NH+](C)C)c1ccccc1-2 ZINC000004956809 1120932072 /nfs/dbraw/zinc/93/20/72/1120932072.db2.gz QZCSWTSZGNTCBK-CEYXHMICSA-N 1 0 262.356 3.877 50 0 CHAARO Cc1cc2c(c(-c3ccccc3Cl)c1)O[C@@H](C[NH3+])C2 ZINC000067955435 1120954995 /nfs/dbraw/zinc/95/49/95/1120954995.db2.gz IDUSADGOTJBJQJ-GFCCVEGCSA-N 1 0 273.763 3.578 50 0 CHAARO CCC[N@H+](CC1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000000757093 1120972835 /nfs/dbraw/zinc/97/28/35/1120972835.db2.gz OSOPVXUJSREBNR-UHFFFAOYSA-N 1 0 286.463 3.773 50 0 CHAARO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(Cl)cc1 ZINC000062999140 1120992476 /nfs/dbraw/zinc/99/24/76/1120992476.db2.gz FOPWRQRGJLMNGK-BLLLJJGKSA-N 1 0 275.779 3.724 50 0 CHAARO C[NH+](C)CCCN(c1ccccc1)c1ccccc1 ZINC000001670187 1121235231 /nfs/dbraw/zinc/23/52/31/1121235231.db2.gz FTUYMJDJFCWGRF-UHFFFAOYSA-N 1 0 254.377 3.776 50 0 CHAARO CO[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000507486912 1121474574 /nfs/dbraw/zinc/47/45/74/1121474574.db2.gz QEMOWWCRAMCIBF-IBGZPJMESA-N 1 0 295.426 3.929 50 0 CHAARO CCC[C@]1(CO)CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000808163622 1121764842 /nfs/dbraw/zinc/76/48/42/1121764842.db2.gz PDEQQTQLXNZNLF-IBGZPJMESA-N 1 0 298.430 3.841 50 0 CHAARO c1ccc([C@H](CNc2cnccn2)[NH+]2CCCCCC2)cc1 ZINC000820408949 1121899367 /nfs/dbraw/zinc/89/93/67/1121899367.db2.gz BVXLWKBOBGQOIU-KRWDZBQOSA-N 1 0 296.418 3.506 50 0 CHAARO CC[N@@H+]1CCCC[C@H]1CNc1ccc2cccc(OC)c2n1 ZINC000823113240 1121987103 /nfs/dbraw/zinc/98/71/03/1121987103.db2.gz WYUWTBZMXKZTBZ-HNNXBMFYSA-N 1 0 299.418 3.530 50 0 CHAARO CCCC[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)C1CCC1 ZINC000184875876 1129259805 /nfs/dbraw/zinc/25/98/05/1129259805.db2.gz SHQWBPQZAZZXFQ-CQSZACIVSA-N 1 0 289.379 3.778 50 0 CHAARO Cc1ccccc1-n1cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cn1 ZINC000825235306 1129315473 /nfs/dbraw/zinc/31/54/73/1129315473.db2.gz IXKABPKIVDMKHB-HDICACEKSA-N 1 0 293.414 3.579 50 0 CHAARO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCCC2)c(C)o1 ZINC000825303727 1129317397 /nfs/dbraw/zinc/31/73/97/1129317397.db2.gz SWFYIXMQADOBBJ-UHFFFAOYSA-N 1 0 298.386 3.745 50 0 CHAARO CCN(CC)CC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000097053540 1129583423 /nfs/dbraw/zinc/58/34/23/1129583423.db2.gz ZNELDUHRBLIWJQ-UHFFFAOYSA-N 1 0 268.489 3.865 50 0 CHAARO COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1C ZINC000000220104 1129736938 /nfs/dbraw/zinc/73/69/38/1129736938.db2.gz QLODLMUCFHGYSF-STQMWFEESA-N 1 0 261.409 3.790 50 0 CHAARO COc1ccccc1C[C@H](C)[N@H+](C)CCc1ccccc1 ZINC000000757745 1129770893 /nfs/dbraw/zinc/77/08/93/1129770893.db2.gz HNFJBPDQKAZBMI-INIZCTEOSA-N 1 0 283.415 3.801 50 0 CHAARO C/C(=C\c1ccccc1)C[NH2+]Cc1cncn1CC(C)C ZINC000952869705 1132014397 /nfs/dbraw/zinc/01/43/97/1132014397.db2.gz NEUXQLZGSDUKPK-CXUHLZMHSA-N 1 0 283.419 3.732 50 0 CHAARO CC[C@@H]1C=CC[N@@H+]1Cc1cccc2c1ccn2CC ZINC000952860418 1132015158 /nfs/dbraw/zinc/01/51/58/1132015158.db2.gz PJTPPJWSEUBTDS-OAHLLOKOSA-N 1 0 254.377 3.812 50 0 CHAARO COCC[C@H]1CCCC[N@@H+]1Cc1ccc2cc(O)ccc2c1 ZINC000097743577 230387409 /nfs/dbraw/zinc/38/74/09/230387409.db2.gz SBCQZMMNNVCXKW-GOSISDBHSA-N 1 0 299.414 3.936 50 0 CHAARO CCC[C@@H]1CN(Cc2cccc(SC)c2)C[C@H]1[NH+](C)C ZINC000095511858 185002006 /nfs/dbraw/zinc/00/20/06/185002006.db2.gz VFINURZFXMDLFX-NVXWUHKLSA-N 1 0 292.492 3.571 50 0 CHAARO CCn1nc(C)nc1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000426399152 230417210 /nfs/dbraw/zinc/41/72/10/230417210.db2.gz CJCKEDGQLKQNAX-CQSZACIVSA-N 1 0 298.434 3.820 50 0 CHAARO C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000095941252 185036357 /nfs/dbraw/zinc/03/63/57/185036357.db2.gz UTDUOJLPLQSION-LBPRGKRZSA-N 1 0 290.407 3.922 50 0 CHAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000095968228 185047024 /nfs/dbraw/zinc/04/70/24/185047024.db2.gz PVRGDFXUYUSKPU-QWRGUYRKSA-N 1 0 284.469 3.732 50 0 CHAARO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(Cl)c1 ZINC000095976354 185050482 /nfs/dbraw/zinc/05/04/82/185050482.db2.gz FYPFAQHQWKPDAJ-ZBFHGGJFSA-N 1 0 295.810 3.552 50 0 CHAARO C[NH2+]CCCCOc1cccc(Oc2ccccc2)c1 ZINC000002844569 529962281 /nfs/dbraw/zinc/96/22/81/529962281.db2.gz ZIAAAJKPQJIVSP-UHFFFAOYSA-N 1 0 271.360 3.857 50 0 CHAARO C[NH2+]CCCOc1ccc2ccccc2c1Br ZINC000002845166 529971912 /nfs/dbraw/zinc/97/19/12/529971912.db2.gz RKZDESPWDCEJGX-UHFFFAOYSA-N 1 0 294.192 3.591 50 0 CHAARO CNc1cc(C)nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000097619073 185639827 /nfs/dbraw/zinc/63/98/27/185639827.db2.gz MHHVXAKFFSUBQZ-AWEZNQCLSA-N 1 0 296.418 3.651 50 0 CHAARO CC(C)=CCC[N@@H+](C)CCc1c[nH]c2ccccc12 ZINC000085388866 179047259 /nfs/dbraw/zinc/04/72/59/179047259.db2.gz QGERCPGBDXCOOU-UHFFFAOYSA-N 1 0 256.393 3.999 50 0 CHAARO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000106521599 186124285 /nfs/dbraw/zinc/12/42/85/186124285.db2.gz KGAQXFONLOFKIA-HUUCEWRRSA-N 1 0 296.414 3.899 50 0 CHAARO C[C@H]([NH2+]C1CCOCC1)c1ccc(OC(C)(C)C)cc1 ZINC000156811545 188282754 /nfs/dbraw/zinc/28/27/54/188282754.db2.gz OMHSPALZVJDCKR-ZDUSSCGKSA-N 1 0 277.408 3.694 50 0 CHAARO C[C@@H](C[N@H+](C)Cc1ccc2ccccc2n1)c1nccs1 ZINC000183918706 189371143 /nfs/dbraw/zinc/37/11/43/189371143.db2.gz RUJDZAZWTWKNBI-ZDUSSCGKSA-N 1 0 297.427 3.927 50 0 CHAARO Clc1ccc2c(c1)sc[n+]2Cc1ccccc1 ZINC000000300541 169602033 /nfs/dbraw/zinc/60/20/33/169602033.db2.gz TWUAXRNPSYZBFI-UHFFFAOYSA-N 1 0 260.769 3.891 50 0 CHAARO CCO/C(C)=C/c1sc2ccc(OC)cc2[n+]1CC ZINC000000318013 169606936 /nfs/dbraw/zinc/60/69/36/169606936.db2.gz YHYYGBVMLHYDTC-PKNBQFBNSA-N 1 0 278.397 3.615 50 0 CHAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCC1=CCOCC1 ZINC000090809476 184618152 /nfs/dbraw/zinc/61/81/52/184618152.db2.gz GZCKNXVNDPBNFL-KRWDZBQOSA-N 1 0 299.414 3.759 50 0 CHAARO C[NH2+]CCCCOc1ccccc1-c1ccccc1 ZINC000002049850 169772848 /nfs/dbraw/zinc/77/28/48/169772848.db2.gz UJPVPNYJQYVQSO-UHFFFAOYSA-N 1 0 255.361 3.732 50 0 CHAARO CC[C@@H](C)[NH2+]CCCOc1ccc(C)cc1Cl ZINC000002823520 169834702 /nfs/dbraw/zinc/83/47/02/169834702.db2.gz LSTXSRURRVUZHP-GFCCVEGCSA-N 1 0 255.789 3.805 50 0 CHAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc2ccccc2c1 ZINC000002822266 169834584 /nfs/dbraw/zinc/83/45/84/169834584.db2.gz BIDIPKJEYOTRAV-OAHLLOKOSA-N 1 0 287.403 3.623 50 0 CHAARO CCc1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002901205 169842977 /nfs/dbraw/zinc/84/29/77/169842977.db2.gz WYUNCLZVAHTIPA-UHFFFAOYSA-N 1 0 261.409 3.894 50 0 CHAARO OCC[N@H+](Cc1ccccc1)Cc1cccc2ccccc21 ZINC000004695050 170000224 /nfs/dbraw/zinc/00/02/24/170000224.db2.gz RUVIEMAGMBRUPX-UHFFFAOYSA-N 1 0 291.394 3.834 50 0 CHAARO Cc1c(C(=O)C[N@H+]2CCCC[C@@H]2C)c2ccccc2n1C ZINC000004806887 170020134 /nfs/dbraw/zinc/02/01/34/170020134.db2.gz HLLZBTVILLVLKH-ZDUSSCGKSA-N 1 0 284.403 3.544 50 0 CHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000004834103 170026421 /nfs/dbraw/zinc/02/64/21/170026421.db2.gz SJCRQQDKUWTIJP-QGZVFWFLSA-N 1 0 297.398 3.615 50 0 CHAARO CCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000004857252 170031803 /nfs/dbraw/zinc/03/18/03/170031803.db2.gz BNQDNORRBDXERA-UHFFFAOYSA-N 1 0 285.387 3.774 50 0 CHAARO C[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000004989341 170050126 /nfs/dbraw/zinc/05/01/26/170050126.db2.gz CAKPKLPFTPLQEJ-ZFWWWQNUSA-N 1 0 256.393 3.879 50 0 CHAARO Cc1ccc2c(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc(=O)oc2c1C ZINC000005252582 170080124 /nfs/dbraw/zinc/08/01/24/170080124.db2.gz VGENLWPZZMPKNW-CHWSQXEVSA-N 1 0 299.414 3.888 50 0 biogenic CHAARO OC[C@H]1CCC[N@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000005775278 170139535 /nfs/dbraw/zinc/13/95/35/170139535.db2.gz OSJBIUWOUITRHG-SJLPKXTDSA-N 1 0 273.420 3.765 50 0 CHAARO C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000005910030 170153728 /nfs/dbraw/zinc/15/37/28/170153728.db2.gz KDCREKOPMHAQDB-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO Clc1cccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)c1 ZINC000006697425 170227023 /nfs/dbraw/zinc/22/70/23/170227023.db2.gz HJTPZEDYTAWLQR-CQSZACIVSA-N 1 0 291.778 3.869 50 0 CHAARO Fc1ccc(COc2ccccc2C[NH2+]C2CC2)cc1 ZINC000006701616 170229555 /nfs/dbraw/zinc/22/95/55/170229555.db2.gz SPZCMONTTOTIPB-UHFFFAOYSA-N 1 0 271.335 3.657 50 0 CHAARO CCc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccs2)cc1 ZINC000006750804 170240454 /nfs/dbraw/zinc/24/04/54/170240454.db2.gz VNKHLQIDGUAENO-UHFFFAOYSA-N 1 0 297.427 3.990 50 0 CHAARO CC[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008344399 170332781 /nfs/dbraw/zinc/33/27/81/170332781.db2.gz MTUFDDWMNDOBEV-RKDXNWHRSA-N 1 0 289.206 3.709 50 0 CHAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(F)cc1 ZINC000008553296 170340030 /nfs/dbraw/zinc/34/00/30/170340030.db2.gz UWBNPVDYTHSVEP-MJBXVCDLSA-N 1 0 293.382 3.634 50 0 CHAARO Cc1cccc2c(=O)c(C[NH+]3CCCCC3)c(C)[nH]c12 ZINC000008714599 170349010 /nfs/dbraw/zinc/34/90/10/170349010.db2.gz ZHJAXNIPIYQAKJ-UHFFFAOYSA-N 1 0 270.376 3.543 50 0 biogenic CHAARO Cc1cccc2c(=O)c(C[NH+]3CCC(C)CC3)c(C)[nH]c12 ZINC000008911501 170358963 /nfs/dbraw/zinc/35/89/63/170358963.db2.gz AXKXXBJLJGVDET-UHFFFAOYSA-N 1 0 284.403 3.789 50 0 CHAARO Cc1ccc2cc(C[NH2+]C3CCCCC3)c(=O)[nH]c2c1 ZINC000009458914 170377508 /nfs/dbraw/zinc/37/75/08/170377508.db2.gz HMTZQWUWAIVOII-UHFFFAOYSA-N 1 0 270.376 3.671 50 0 CHAARO Cc1ccc(Cl)cc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000009997169 170393493 /nfs/dbraw/zinc/39/34/93/170393493.db2.gz ZWQGFTLKHGUTAB-VXGBXAGGSA-N 1 0 294.826 3.565 50 0 CHAARO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCc2ccccc2C1 ZINC000010003195 170395103 /nfs/dbraw/zinc/39/51/03/170395103.db2.gz WKSSKRDWXMSGDH-UHFFFAOYSA-N 1 0 289.382 3.635 50 0 CHAARO CC(C)[NH2+][C@@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000012466978 170489382 /nfs/dbraw/zinc/48/93/82/170489382.db2.gz HUPXIYRLGBLRAH-CYBMUJFWSA-N 1 0 275.440 3.786 50 0 CHAARO COc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000014083961 170618304 /nfs/dbraw/zinc/61/83/04/170618304.db2.gz CJZJFYUPSOMPHQ-RVKKMQEKSA-N 1 0 291.435 3.878 50 0 CHAARO COc1ccc2c(c1)[C@@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000019625843 170831518 /nfs/dbraw/zinc/83/15/18/170831518.db2.gz VTAIVNGVFBIKHG-MRXNPFEDSA-N 1 0 273.763 3.584 50 0 CHAARO Brc1ccccc1C[NH2+]C1CCCCC1 ZINC000019879200 170907618 /nfs/dbraw/zinc/90/76/18/170907618.db2.gz SZWYEEAPFMFWMU-UHFFFAOYSA-N 1 0 268.198 3.871 50 0 CHAARO CC(C)COc1ccc2c(c1)c1c3n2C[NH2+]C[C@@H]3CCC1 ZINC000019925152 170929689 /nfs/dbraw/zinc/92/96/89/170929689.db2.gz HERGBHMBDDGYGX-ZDUSSCGKSA-N 1 0 284.403 3.657 50 0 CHAARO c1ccc(C2CCC([NH2+]Cc3ccccn3)CC2)cc1 ZINC000019956988 170941690 /nfs/dbraw/zinc/94/16/90/170941690.db2.gz XNMZRZQVBAUPKP-UHFFFAOYSA-N 1 0 266.388 3.898 50 0 CHAARO CCCCN1C(=O)C2=C(CCCC2)[C@@H]1[NH2+]Cc1ccccc1 ZINC000020123870 171005543 /nfs/dbraw/zinc/00/55/43/171005543.db2.gz AZMSSTLCDUXVEG-GOSISDBHSA-N 1 0 298.430 3.615 50 0 CHAARO FC(F)Oc1ccccc1C[NH2+]Cc1ccsc1 ZINC000020131594 171020055 /nfs/dbraw/zinc/02/00/55/171020055.db2.gz DCCHVCCUYWYVLB-UHFFFAOYSA-N 1 0 269.316 3.639 50 0 CHAARO Oc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000020133746 171022263 /nfs/dbraw/zinc/02/22/63/171022263.db2.gz JQDFHMUJLQSCBU-QGZVFWFLSA-N 1 0 253.345 3.559 50 0 CHAARO Cc1cc(OCC[C@@H]2CCCC[NH2+]2)ccc1Cl ZINC000020221529 171083047 /nfs/dbraw/zinc/08/30/47/171083047.db2.gz BEKPEIQZFXKLLZ-LBPRGKRZSA-N 1 0 253.773 3.559 50 0 CHAARO Cc1cccc([C@H](C[NH3+])c2c[nH]c3ccccc32)c1 ZINC000020268108 171124096 /nfs/dbraw/zinc/12/40/96/171124096.db2.gz MQKQRVXWZXKZBR-HNNXBMFYSA-N 1 0 250.345 3.567 50 0 CHAARO c1nc2ccccc2n1CCC[NH+]1CCCCCCC1 ZINC000020271584 171126141 /nfs/dbraw/zinc/12/61/41/171126141.db2.gz QSAHNUMEXZCILJ-UHFFFAOYSA-N 1 0 271.408 3.693 50 0 CHAARO FC(F)(F)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000020595718 171264291 /nfs/dbraw/zinc/26/42/91/171264291.db2.gz FKBXQPBMPRUANF-GFCCVEGCSA-N 1 0 273.298 3.616 50 0 CHAARO Cc1ccc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)o1 ZINC000020781562 171272440 /nfs/dbraw/zinc/27/24/40/171272440.db2.gz VTPNQZRQFKQRMO-GOSISDBHSA-N 1 0 298.430 3.684 50 0 CHAARO C[N@H+](CC[C@H](c1ccco1)c1ccccc1)C1CCOCC1 ZINC000020997527 171284035 /nfs/dbraw/zinc/28/40/35/171284035.db2.gz WNDJYOQQXVFCAR-SFHVURJKSA-N 1 0 299.414 3.912 50 0 CHAARO CCc1ccc(C[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000021014581 171289252 /nfs/dbraw/zinc/28/92/52/171289252.db2.gz NDTICWHPRHEGNZ-CQSZACIVSA-N 1 0 257.377 3.953 50 0 CHAARO COc1ccccc1C[N@@H+]1CCC[C@H]1c1c(C)noc1C ZINC000021720582 171320386 /nfs/dbraw/zinc/32/03/86/171320386.db2.gz QPZBAWMCUKSGQV-HNNXBMFYSA-N 1 0 286.375 3.637 50 0 CHAARO C[C@@H]1C[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000022014559 171349311 /nfs/dbraw/zinc/34/93/11/171349311.db2.gz NVRHPKDNICAHBX-LZQZEXGQSA-N 1 0 281.399 3.587 50 0 CHAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000022194248 171372071 /nfs/dbraw/zinc/37/20/71/171372071.db2.gz SGOPAZKETBXGAD-UHFFFAOYSA-N 1 0 294.826 3.933 50 0 CHAARO c1ccc(C2CCC([NH2+]CCN3CCCCC3)CC2)cc1 ZINC000022455557 171388472 /nfs/dbraw/zinc/38/84/72/171388472.db2.gz SBBJRPKKJXFABN-UHFFFAOYSA-N 1 0 286.463 3.788 50 0 CHAARO CSC[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000032517924 171731357 /nfs/dbraw/zinc/73/13/57/171731357.db2.gz UTOTXZNPHJHVBW-CQSZACIVSA-N 1 0 263.450 3.693 50 0 CHAARO C[C@@H](CCCC(C)(C)O)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000032518074 171731509 /nfs/dbraw/zinc/73/15/09/171731509.db2.gz QIDXDKFTEVKKEV-DYLGSBMWSA-N 1 0 279.399 3.758 50 0 CHAARO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2)on1 ZINC000035511310 172242514 /nfs/dbraw/zinc/24/25/14/172242514.db2.gz GVRWNIMGSPECLJ-MRXNPFEDSA-N 1 0 286.375 3.841 50 0 CHAARO COc1ccc(CC[NH2+]C/C=C\c2ccccc2)cc1 ZINC000035535574 172243591 /nfs/dbraw/zinc/24/35/91/172243591.db2.gz NHKFDXYROIKQJL-YVMONPNESA-N 1 0 267.372 3.541 50 0 CHAARO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C1CC1 ZINC000035733360 172384903 /nfs/dbraw/zinc/38/49/03/172384903.db2.gz TZTXPIVIGYUQSH-ZJUUUORDSA-N 1 0 268.198 3.898 50 0 CHAARO CCC[C@@H](O)C[N@H+](CCC)Cc1ccc(C)cc1C ZINC000036100801 172440556 /nfs/dbraw/zinc/44/05/56/172440556.db2.gz ACLYAZUVGKIJPK-QGZVFWFLSA-N 1 0 263.425 3.676 50 0 CHAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+]Cc1cccnc1 ZINC000036657738 172645014 /nfs/dbraw/zinc/64/50/14/172645014.db2.gz YCDFOVZCKHTUAD-UHFFFAOYSA-N 1 0 299.805 3.857 50 0 CHAARO COc1cccc([C@@H]([NH3+])Cc2cc(C)cc(C)c2)c1 ZINC000038077294 174087402 /nfs/dbraw/zinc/08/74/02/174087402.db2.gz LGFHYNNNCWRVMF-KRWDZBQOSA-N 1 0 255.361 3.555 50 0 CHAARO Fc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000040161836 174196111 /nfs/dbraw/zinc/19/61/11/174196111.db2.gz XAXDMNDPZRTETQ-NSHDSACASA-N 1 0 261.262 3.600 50 0 CHAARO COc1nccnc1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000065489728 175742337 /nfs/dbraw/zinc/74/23/37/175742337.db2.gz DTVUQVLKOBWZKQ-CQSZACIVSA-N 1 0 297.402 3.699 50 0 CHAARO COc1ccc(-c2[nH]c3ccccc3c2CC[NH+](C)C)cc1 ZINC000071771244 176262532 /nfs/dbraw/zinc/26/25/32/176262532.db2.gz XIPMWDVTCMZFPD-UHFFFAOYSA-N 1 0 294.398 3.948 50 0 CHAARO CSc1cccc([C@H]([NH3+])c2cc(F)ccc2F)c1 ZINC000071790393 176263133 /nfs/dbraw/zinc/26/31/33/176263133.db2.gz AVGQIDXHXCYGQX-AWEZNQCLSA-N 1 0 265.328 3.735 50 0 CHAARO CCOCC[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072152736 176327247 /nfs/dbraw/zinc/32/72/47/176327247.db2.gz OAJJEGZVPYNNQF-AWEZNQCLSA-N 1 0 297.389 3.646 50 0 CHAARO COCCC[C@@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000077387960 177262024 /nfs/dbraw/zinc/26/20/24/177262024.db2.gz CEIZERSEZVEWEG-ZDUSSCGKSA-N 1 0 297.826 3.684 50 0 CHAARO COCCC[C@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000077387966 177262404 /nfs/dbraw/zinc/26/24/04/177262404.db2.gz CEIZERSEZVEWEG-CYBMUJFWSA-N 1 0 297.826 3.684 50 0 CHAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2ccccc2c1 ZINC000078480266 177344883 /nfs/dbraw/zinc/34/48/83/177344883.db2.gz HHXRFUMFLVTJMJ-GOSISDBHSA-N 1 0 298.430 3.546 50 0 CHAARO Fc1ccc(OCCCCCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000002289232 260009045 /nfs/dbraw/zinc/00/90/45/260009045.db2.gz GULXWPXWAAVKQF-KRWDZBQOSA-N 1 0 295.398 3.534 50 0 CHAARO Cc1ccc(C)c(OCCC[NH2+]C2CCCC2)c1C ZINC000002845396 533693695 /nfs/dbraw/zinc/69/36/95/533693695.db2.gz YURSQZAGCDUNMN-UHFFFAOYSA-N 1 0 261.409 3.913 50 0 CHAARO C[C@@H](c1cccc(-c2[nH]nc3ncccc32)c1)[NH+]1CCCC1 ZINC000426667676 534074718 /nfs/dbraw/zinc/07/47/18/534074718.db2.gz WSXHLPWRPHANBG-ZDUSSCGKSA-N 1 0 292.386 3.782 50 0 CHAARO COc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000096479082 534116799 /nfs/dbraw/zinc/11/67/99/534116799.db2.gz GCKOMLZPWFBVLY-WCQYABFASA-N 1 0 290.432 3.742 50 0 CHAARO CC[N@H+](Cc1cccc2[nH]ccc21)[C@@H]1CCOC(C)(C)C1 ZINC000290992430 521354528 /nfs/dbraw/zinc/35/45/28/521354528.db2.gz AAXAEVNVOXAHIP-OAHLLOKOSA-N 1 0 286.419 3.947 50 0 CHAARO C[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC000054933429 522114344 /nfs/dbraw/zinc/11/43/44/522114344.db2.gz OOAFFPJDTOTJFZ-UHFFFAOYSA-N 1 0 267.250 3.616 50 0 CHAARO CC[NH+](CC)CCCCCCOc1ccccc1OC ZINC000003106068 567851144 /nfs/dbraw/zinc/85/11/44/567851144.db2.gz KQNVLYAQFHRWTM-UHFFFAOYSA-N 1 0 279.424 3.976 50 0 CHAARO CC(C)c1ccc(COCC[C@H]2CCCC[NH2+]2)cc1 ZINC000048895429 567892838 /nfs/dbraw/zinc/89/28/38/567892838.db2.gz UZMUTXYHCQXFJU-QGZVFWFLSA-N 1 0 261.409 3.859 50 0 CHAARO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)o1 ZINC000034993692 566842010 /nfs/dbraw/zinc/84/20/10/566842010.db2.gz WQMBISOSEBWQNM-CQSZACIVSA-N 1 0 281.359 3.625 50 0 CHAARO Fc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000012530371 566847531 /nfs/dbraw/zinc/84/75/31/566847531.db2.gz WXXSDBOTYNWIFT-UHFFFAOYSA-N 1 0 287.363 3.567 50 0 CHAARO CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000084456358 566883112 /nfs/dbraw/zinc/88/31/12/566883112.db2.gz FONDVRJQMGTMBO-LJQANCHMSA-N 1 0 296.414 3.954 50 0 CHAARO CC(C)OP(=O)(OC(C)C)[C@@H]([NH3+])Cc1ccccc1 ZINC000035078611 566892302 /nfs/dbraw/zinc/89/23/02/566892302.db2.gz KDKSZCWXFQVNPD-CQSZACIVSA-N 1 0 285.324 3.557 50 0 CHAARO CC(C)Oc1ccccc1OCCC[NH2+]Cc1ccco1 ZINC000075254031 566937146 /nfs/dbraw/zinc/93/71/46/566937146.db2.gz APPBUHFQKYKTIL-UHFFFAOYSA-N 1 0 289.375 3.626 50 0 CHAARO Cc1cc(-c2cccc(Cl)c2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000242437541 566968339 /nfs/dbraw/zinc/96/83/39/566968339.db2.gz CFEJWGAZUVQLRH-ZDUSSCGKSA-N 1 0 287.794 3.572 50 0 CHAARO CC(C)Oc1ccc(-c2ccc([C@@H](C)[NH+](C)C)cc2)nn1 ZINC000426618352 566990653 /nfs/dbraw/zinc/99/06/53/566990653.db2.gz OOLRMDCSSNSKJS-CYBMUJFWSA-N 1 0 285.391 3.553 50 0 CHAARO CCC[N@@H+](Cc1ccccc1C)C[C@H](O)c1ccccc1 ZINC000036099941 566993548 /nfs/dbraw/zinc/99/35/48/566993548.db2.gz BRIXVZXHLBBYNL-IBGZPJMESA-N 1 0 283.415 3.941 50 0 CHAARO Cc1cc2c(c(C)[nH+]1)C[C@@H](c1nc3ccccc3[nH]1)CC2 ZINC000036367426 566998349 /nfs/dbraw/zinc/99/83/49/566998349.db2.gz CYQXRLAIKLSDGR-AWEZNQCLSA-N 1 0 277.371 3.847 50 0 biogenic CHAARO c1nc2ccccc2n1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000065372257 567006416 /nfs/dbraw/zinc/00/64/16/567006416.db2.gz ZPXKKWFQIUTSHX-UHFFFAOYSA-N 1 0 277.371 3.621 50 0 CHAARO CCc1nc(C)c([C@@H](C)[N@H+](C)CCc2ccncc2)s1 ZINC000076040342 567028229 /nfs/dbraw/zinc/02/82/29/567028229.db2.gz SKAPCHBYFMWAEV-CYBMUJFWSA-N 1 0 289.448 3.644 50 0 CHAARO CCc1nnc(C[N@@H+]2CCCC3(C2)CCCCCC3)o1 ZINC000075968335 567028590 /nfs/dbraw/zinc/02/85/90/567028590.db2.gz FVHBTPVHJUOOOQ-UHFFFAOYSA-N 1 0 277.412 3.568 50 0 CHAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000076082201 567030585 /nfs/dbraw/zinc/03/05/85/567030585.db2.gz AEOIERRZSZMVIE-LPHOPBHVSA-N 1 0 283.415 3.639 50 0 CHAARO C[C@H]([NH2+]Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000089909876 567031036 /nfs/dbraw/zinc/03/10/36/567031036.db2.gz DNXKUHVNASKMRM-HNNXBMFYSA-N 1 0 277.371 3.723 50 0 CHAARO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000090221399 567033612 /nfs/dbraw/zinc/03/36/12/567033612.db2.gz CADFGZXNISJCCV-CWTRNNRKSA-N 1 0 293.457 3.645 50 0 CHAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(C(C)(C)C)cc1 ZINC000002822135 567036782 /nfs/dbraw/zinc/03/67/82/567036782.db2.gz XNRADCHVBXGIRR-HNNXBMFYSA-N 1 0 293.451 3.768 50 0 CHAARO C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccc2ccccc2c1 ZINC000193472611 567060726 /nfs/dbraw/zinc/06/07/26/567060726.db2.gz WKWLLNQHKCRZKL-ZDUSSCGKSA-N 1 0 277.371 3.668 50 0 CHAARO C[C@@H]([NH2+]Cc1ccco1)c1cc(Br)cs1 ZINC000193940512 567062221 /nfs/dbraw/zinc/06/22/21/567062221.db2.gz MURWITCJFUBMHB-MRVPVSSYSA-N 1 0 286.194 3.954 50 0 CHAARO CSC(=[NH2+])NCC(C)(c1ccccc1)c1ccccc1 ZINC000019853648 567123608 /nfs/dbraw/zinc/12/36/08/567123608.db2.gz OINXKJUSSMMXFE-UHFFFAOYSA-N 1 0 284.428 3.880 50 0 CHAARO Cc1ccccc1[C@H]([NH2+]Cc1cc[nH]n1)C(C)(C)C ZINC000080347465 567127638 /nfs/dbraw/zinc/12/76/38/567127638.db2.gz QVVVNLNQWQYDPG-HNNXBMFYSA-N 1 0 257.381 3.595 50 0 CHAARO Cc1ccccc1[C@@H]([NH2+]Cc1cc[nH]n1)C(C)(C)C ZINC000080347472 567127892 /nfs/dbraw/zinc/12/78/92/567127892.db2.gz QVVVNLNQWQYDPG-OAHLLOKOSA-N 1 0 257.381 3.595 50 0 CHAARO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1scnc1C ZINC000095421964 567131277 /nfs/dbraw/zinc/13/12/77/567131277.db2.gz ADQZJKGMZRPMLN-VIFPVBQESA-N 1 0 296.823 3.964 50 0 CHAARO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000095420090 567132246 /nfs/dbraw/zinc/13/22/46/567132246.db2.gz XCKUDSJRQALNRN-LBPRGKRZSA-N 1 0 276.405 3.701 50 0 CHAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(SC(F)F)cc1 ZINC000095450955 567134834 /nfs/dbraw/zinc/13/48/34/567134834.db2.gz WEYIFIHHUHNDFE-NTZNESFSSA-N 1 0 299.386 3.589 50 0 CHAARO C[NH+](C)C[C@@H](CCc1ccccc1)c1ccccc1 ZINC000096027178 567138541 /nfs/dbraw/zinc/13/85/41/567138541.db2.gz CGDJIDRBGSLQFU-GOSISDBHSA-N 1 0 253.389 3.965 50 0 CHAARO CC[NH+](CC)CC(=O)n1c2ccccc2c2ccccc21 ZINC000096026545 567139255 /nfs/dbraw/zinc/13/92/55/567139255.db2.gz GGNAPKNZTUFGMV-UHFFFAOYSA-N 1 0 280.371 3.777 50 0 CHAARO Cc1nn(C)c(C)c1CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000097221857 567144444 /nfs/dbraw/zinc/14/44/44/567144444.db2.gz ZGGQUUNAPSQAHM-UHFFFAOYSA-N 1 0 291.483 3.774 50 0 CHAARO C[C@H]([NH2+]C(C)(C)C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000027988417 567145558 /nfs/dbraw/zinc/14/55/58/567145558.db2.gz MIAWBOWAAZHWMV-GVMDUPDNSA-N 1 0 263.425 3.549 50 0 CHAARO CSc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055543452 567146916 /nfs/dbraw/zinc/14/69/16/567146916.db2.gz XMMDLLKQHPINHM-UHFFFAOYSA-N 1 0 298.455 3.731 50 0 CHAARO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000230129629 567158281 /nfs/dbraw/zinc/15/82/81/567158281.db2.gz BKAATQKPXWVGSZ-IEBWSBKVSA-N 1 0 299.414 3.723 50 0 CHAARO C[N@H+](CC[C@@H]1CC1(F)F)Cc1ccc2ncccc2c1 ZINC000670448003 567180296 /nfs/dbraw/zinc/18/02/96/567180296.db2.gz PFJVCSHMLIOVFX-CQSZACIVSA-N 1 0 276.330 3.712 50 0 CHAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@@H]2[NH3+] ZINC000004073562 567185654 /nfs/dbraw/zinc/18/56/54/567185654.db2.gz WDTAJXMIXADUTH-IWYSFSABSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO COC[C@@H](C)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000670457176 567187014 /nfs/dbraw/zinc/18/70/14/567187014.db2.gz XDCGQKSJNMHCML-OAHLLOKOSA-N 1 0 298.430 3.729 50 0 CHAARO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(C)c2ncccc12 ZINC000670457677 567187677 /nfs/dbraw/zinc/18/76/77/567187677.db2.gz MDZNMTXWKACERP-AWEZNQCLSA-N 1 0 286.419 3.836 50 0 CHAARO CCCOC[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000670473274 567196850 /nfs/dbraw/zinc/19/68/50/567196850.db2.gz SRPGJFMCPHPEIW-AWEZNQCLSA-N 1 0 299.361 3.537 50 0 CHAARO C[n+]1ccc(/C=C/c2ccc3c(c2)OCO3)c2ccccc21 ZINC000000206133 567821974 /nfs/dbraw/zinc/82/19/74/567821974.db2.gz KSXWYHONXBBFOT-SOFGYWHQSA-N 1 0 290.342 3.563 50 0 biogenic CHAARO CC1=C(CC[N@@H+]2CCCC[C@@H]2CO)C(C)(C)CCC1 ZINC000000213145 567822492 /nfs/dbraw/zinc/82/24/92/567822492.db2.gz BIXHSEOURANZQG-OAHLLOKOSA-N 1 0 265.441 3.750 50 0 CHAARO Fc1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000000219349 567822565 /nfs/dbraw/zinc/82/25/65/567822565.db2.gz UMRQQTNMOHVOBF-QPJJXVBHSA-N 1 0 296.389 3.661 50 0 CHAARO Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000000293918 567824282 /nfs/dbraw/zinc/82/42/82/567824282.db2.gz UQWIMUDTSOPCAD-UHFFFAOYSA-N 1 0 280.415 3.626 50 0 CHAARO CC[n+]1c(C)c(C)sc1C=CNc1ccccc1 ZINC000000406361 567829543 /nfs/dbraw/zinc/82/95/43/567829543.db2.gz MHZFUYIJOTUCTJ-UHFFFAOYSA-O 1 0 259.398 3.755 50 0 CHAARO CCCC(=O)N(c1ccccc1)C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000000978299 567835419 /nfs/dbraw/zinc/83/54/19/567835419.db2.gz SYSPQRFVFQBMND-CVEARBPZSA-N 1 0 284.403 3.570 50 0 CHAARO CC[NH2+][C@]1(c2ccccc2C(F)(F)F)CCCCC1=O ZINC000096027239 567836306 /nfs/dbraw/zinc/83/63/06/567836306.db2.gz UVJFUTYQZLHMDH-AWEZNQCLSA-N 1 0 285.309 3.653 50 0 CHAARO Cc1ccccc1[C@](O)(c1ccccc1)C(C)(C)[NH+](C)C ZINC000096027443 567837019 /nfs/dbraw/zinc/83/70/19/567837019.db2.gz VXUNRZVIYQMYOU-LJQANCHMSA-N 1 0 283.415 3.571 50 0 CHAARO Cc1ccc(OCCCC[NH+]2CCCCC2)c(C)c1 ZINC000002494082 567846043 /nfs/dbraw/zinc/84/60/43/567846043.db2.gz RJCMIWCXHFWJDN-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO C[NH2+]CC[C@H](Oc1ccccc1C)c1ccccc1 ZINC000002570822 567848320 /nfs/dbraw/zinc/84/83/20/567848320.db2.gz VHGCDTVCOLNTBX-KRWDZBQOSA-N 1 0 255.361 3.725 50 0 in-vitro CHAARO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000002575534 567848329 /nfs/dbraw/zinc/84/83/29/567848329.db2.gz RQZSKQXLWGINHV-GOSISDBHSA-N 1 0 267.372 3.862 50 0 CHAARO CCCC[NH2+]CCCOc1cc(C)ccc1Cl ZINC000002930794 567850651 /nfs/dbraw/zinc/85/06/51/567850651.db2.gz VRILIBFLXLWQRW-UHFFFAOYSA-N 1 0 255.789 3.807 50 0 CHAARO Cc1ccc(OCCC[NH+]2CCCC2)c(Br)c1 ZINC000003003299 567851375 /nfs/dbraw/zinc/85/13/75/567851375.db2.gz UEXIKECOEMSQIF-UHFFFAOYSA-N 1 0 298.224 3.622 50 0 CHAARO Cc1cccc(C)c1OCCCC[NH+]1CCCCC1 ZINC000003106143 567851738 /nfs/dbraw/zinc/85/17/38/567851738.db2.gz GENVHKSDRZZRIM-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO Clc1ccc(SCCOCC[NH+]2CCCCC2)cc1 ZINC000003462293 567852715 /nfs/dbraw/zinc/85/27/15/567852715.db2.gz RSWRBALYBXCPPU-UHFFFAOYSA-N 1 0 299.867 3.935 50 0 CHAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(F)cc1 ZINC000003904975 567854249 /nfs/dbraw/zinc/85/42/49/567854249.db2.gz UWBNPVDYTHSVEP-MELADBBJSA-N 1 0 293.382 3.634 50 0 CHAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(F)cc1 ZINC000003904974 567854351 /nfs/dbraw/zinc/85/43/51/567854351.db2.gz UWBNPVDYTHSVEP-HZSPNIEDSA-N 1 0 293.382 3.634 50 0 CHAARO NC(=[NH2+])Sc1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000003866083 567854418 /nfs/dbraw/zinc/85/44/18/567854418.db2.gz PHBFENKFWFSVGN-UHFFFAOYSA-N 1 0 299.374 3.814 50 0 CHAARO Cc1cc(C)c(NC(=O)OC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000004566640 567858027 /nfs/dbraw/zinc/85/80/27/567858027.db2.gz QRGQQZCHPZTODT-OAHLLOKOSA-N 1 0 290.407 3.645 50 0 CHAARO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000097377474 567860385 /nfs/dbraw/zinc/86/03/85/567860385.db2.gz DUBTYBVPTYPING-FZMZJTMJSA-N 1 0 289.354 3.544 50 0 CHAARO COc1cccc(C[NH2+]C(C)C)c1OCc1ccccc1 ZINC000010435750 567861257 /nfs/dbraw/zinc/86/12/57/567861257.db2.gz ZRZOGSDWIOVJAZ-UHFFFAOYSA-N 1 0 285.387 3.772 50 0 CHAARO O=C(Nc1cccc(F)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010337972 567861507 /nfs/dbraw/zinc/86/15/07/567861507.db2.gz QOHBBKUYTNTYGF-UHFFFAOYSA-N 1 0 298.361 3.674 50 0 CHAARO C[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010474699 567861737 /nfs/dbraw/zinc/86/17/37/567861737.db2.gz NOXZKBKBXQZJKU-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO COc1ccc(C[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000010475403 567861756 /nfs/dbraw/zinc/86/17/56/567861756.db2.gz DPNBCHNGXQMDIW-AWEZNQCLSA-N 1 0 255.361 3.589 50 0 CHAARO Cc1ccc(Sc2ccccc2C[NH+](C)C)c(N)c1 ZINC000012957760 567864481 /nfs/dbraw/zinc/86/44/81/567864481.db2.gz UABIXNSHHIMZEP-UHFFFAOYSA-N 1 0 272.417 3.790 50 0 in-vitro CHAARO Cc1ccc(NC(=O)C[NH2+]C2CCCCC2)cc1Cl ZINC000013154318 567865216 /nfs/dbraw/zinc/86/52/16/567865216.db2.gz GBWTYBWEKQQWOB-UHFFFAOYSA-N 1 0 280.799 3.509 50 0 CHAARO CCC(C)(C)[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013725218 567867701 /nfs/dbraw/zinc/86/77/01/567867701.db2.gz PWAGBVRMZHDABG-UHFFFAOYSA-N 1 0 271.364 3.547 50 0 CHAARO c1ccc2cc(OCC[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000014632343 567869446 /nfs/dbraw/zinc/86/94/46/567869446.db2.gz SQKQNHUVSJLWMO-INIZCTEOSA-N 1 0 255.361 3.751 50 0 CHAARO Fc1ccc(CN2CCc3ccccc3C2)c(F)c1 ZINC000019536801 567877870 /nfs/dbraw/zinc/87/78/70/567877870.db2.gz QBBLAPNBBNWOLZ-UHFFFAOYSA-N 1 0 259.299 3.523 50 0 CHAARO c1[nH]c2ccccc2c1C[NH2+]CCc1ccccc1 ZINC000019371394 567878076 /nfs/dbraw/zinc/87/80/76/567878076.db2.gz MQFWXPWDWUNDLQ-UHFFFAOYSA-N 1 0 250.345 3.500 50 0 CHAARO C(=C/c1ccccc1)\CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019633530 567878138 /nfs/dbraw/zinc/87/81/38/567878138.db2.gz FTEDVCXDKFKGRP-ACGJQVIASA-N 1 0 296.458 3.674 50 0 CHAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000019637428 567878163 /nfs/dbraw/zinc/87/81/63/567878163.db2.gz ZQDARDVOOYNGKW-MQLVUKKUSA-N 1 0 298.474 3.896 50 0 CHAARO CC[C@H](C[NH2+]Cc1ccccc1)Oc1cccc(C)c1 ZINC000019737832 567878701 /nfs/dbraw/zinc/87/87/01/567878701.db2.gz RULGRYLJYCLOBQ-QGZVFWFLSA-N 1 0 269.388 3.942 50 0 CHAARO C[C@@H](C[NH2+]Cc1cccs1)Oc1ccc(Cl)cc1 ZINC000019738134 567878884 /nfs/dbraw/zinc/87/88/84/567878884.db2.gz QSNJJDBPSWJVHH-NSHDSACASA-N 1 0 281.808 3.959 50 0 CHAARO C1=CC[C@H](CN2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000019790088 567879370 /nfs/dbraw/zinc/87/93/70/567879370.db2.gz KUIDKYKLCWSCLF-KRWDZBQOSA-N 1 0 276.468 3.683 50 0 CHAARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cccc(F)c1 ZINC000019798222 567879401 /nfs/dbraw/zinc/87/94/01/567879401.db2.gz ZIZDYNOKEREKNZ-UHFFFAOYSA-N 1 0 282.362 3.948 50 0 CHAARO CCC(CC)[NH2+]Cc1ccccc1Br ZINC000019884083 567879809 /nfs/dbraw/zinc/87/98/09/567879809.db2.gz YSEVQKZKXDUWBV-UHFFFAOYSA-N 1 0 256.187 3.727 50 0 CHAARO CC(C)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019883003 567879836 /nfs/dbraw/zinc/87/98/36/567879836.db2.gz ITFFEPKIPIYESV-SNVBAGLBSA-N 1 0 256.187 3.756 50 0 CHAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccncc1 ZINC000012383633 567881234 /nfs/dbraw/zinc/88/12/34/567881234.db2.gz XCSLLFAMNYONRR-GFCCVEGCSA-N 1 0 294.320 3.821 50 0 CHAARO Cc1c(-c2ccc(NC(=O)C(C)C)cc2)nc2ccccn12 ZINC000024002967 567881860 /nfs/dbraw/zinc/88/18/60/567881860.db2.gz XOIYHOIPGCLMBM-UHFFFAOYSA-N 1 0 293.370 3.904 50 0 CHAARO CCSCC[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000072305335 567886394 /nfs/dbraw/zinc/88/63/94/567886394.db2.gz RGOAQAJNGJEHEO-CQSZACIVSA-N 1 0 280.481 3.716 50 0 CHAARO Cc1ccc(Sc2ccccc2N2CC[NH2+]CC2)c(C)c1 ZINC000034051848 567887102 /nfs/dbraw/zinc/88/71/02/567887102.db2.gz YQNWZWMKLDQSAC-UHFFFAOYSA-N 1 0 298.455 3.864 50 0 fda CHAARO CC[C@H](C)c1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000020118066 567887849 /nfs/dbraw/zinc/88/78/49/567887849.db2.gz DPYHNEPEJIWDCT-INIZCTEOSA-N 1 0 291.435 3.691 50 0 CHAARO OCC[C@@H]1CCCC[N@@H+]1C1CCC(c2ccccc2)CC1 ZINC000003683629 567888524 /nfs/dbraw/zinc/88/85/24/567888524.db2.gz HCZSDGPQYGTUJG-XBMUEBEBSA-N 1 0 287.447 3.950 50 0 CHAARO C[NH+](C)Cc1ccccc1Sc1cccc(O)c1 ZINC000000004378 567891018 /nfs/dbraw/zinc/89/10/18/567891018.db2.gz KKMSQPXDZXJMFX-UHFFFAOYSA-N 1 0 259.374 3.605 50 0 CHAARO Cc1cc(Cl)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770641 567891502 /nfs/dbraw/zinc/89/15/02/567891502.db2.gz OONYCBKEPLAZPX-CYBMUJFWSA-N 1 0 253.773 3.559 50 0 CHAARO CC(C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774701 567891567 /nfs/dbraw/zinc/89/15/67/567891567.db2.gz XUONBQDRNBTXNO-GFCCVEGCSA-N 1 0 298.224 3.703 50 0 CHAARO CC[C@@H](C)c1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772482 567891782 /nfs/dbraw/zinc/89/17/82/567891782.db2.gz XYFBXOLZRMMDCB-HUUCEWRRSA-N 1 0 261.409 3.969 50 0 CHAARO CC[C@H](C)c1cc(Cl)ccc1O[C@H]1CC[NH2+]C1 ZINC000042775445 567892123 /nfs/dbraw/zinc/89/21/23/567892123.db2.gz URZNKYWYDYHNAF-JQWIXIFHSA-N 1 0 253.773 3.594 50 0 CHAARO O[C@H](C[NH2+]Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000048555432 567892821 /nfs/dbraw/zinc/89/28/21/567892821.db2.gz AEWYIHDASOFNPG-OAHLLOKOSA-N 1 0 295.304 3.529 50 0 CHAARO CCN(Cc1cn2ccsc2n1)Cc1ccccc1C ZINC000060372414 567896650 /nfs/dbraw/zinc/89/66/50/567896650.db2.gz KAJJSSOJRBUEBW-UHFFFAOYSA-N 1 0 285.416 3.726 50 0 CHAARO Cc1cccc([C@H](C)[NH2+]Cc2ccc(C3OCCO3)cc2)c1 ZINC000096477583 567897589 /nfs/dbraw/zinc/89/75/89/567897589.db2.gz ANROPBYYWSNQDY-HNNXBMFYSA-N 1 0 297.398 3.891 50 0 CHAARO COc1ccc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)nn1 ZINC000065385559 567898549 /nfs/dbraw/zinc/89/85/49/567898549.db2.gz HVTDNDRXTUIAGG-CQSZACIVSA-N 1 0 297.402 3.699 50 0 CHAARO CC1(C)CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000067674196 567899953 /nfs/dbraw/zinc/89/99/53/567899953.db2.gz UETFRUNEOYNLAD-ZDUSSCGKSA-N 1 0 292.398 3.713 50 0 CHAARO CC[C@@H](C)[NH2+]Cc1cccnc1N(C)Cc1ccccc1 ZINC000067642420 567900212 /nfs/dbraw/zinc/90/02/12/567900212.db2.gz LIYHYXPWDJLJHT-OAHLLOKOSA-N 1 0 283.419 3.606 50 0 CHAARO Cc1cc2c(c(-c3ccc4occc4c3)c1)O[C@H](C[NH3+])C2 ZINC000067756068 567900756 /nfs/dbraw/zinc/90/07/56/567900756.db2.gz SPMYWLFSCLWVNQ-HNNXBMFYSA-N 1 0 279.339 3.670 50 0 CHAARO O=C1c2ccccc2[N+](=O)C1c1cccc2ccccc21 ZINC000071784641 567902302 /nfs/dbraw/zinc/90/23/02/567902302.db2.gz YUGFNYUDLAYMRK-UHFFFAOYSA-N 1 0 273.291 3.667 50 0 CHAARO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccccc3C)C2)co1 ZINC000072423900 567902393 /nfs/dbraw/zinc/90/23/93/567902393.db2.gz SJOJXJJOFPTELH-OAHLLOKOSA-N 1 0 270.376 3.671 50 0 CHAARO CO[C@H](C)c1cccc(N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000097045955 567903660 /nfs/dbraw/zinc/90/36/60/567903660.db2.gz DPSWZMCJXIQDMK-UONOGXRCSA-N 1 0 276.424 3.536 50 0 CHAARO COC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000056908399 567905945 /nfs/dbraw/zinc/90/59/45/567905945.db2.gz LMGCIQCANFXRPV-CYBMUJFWSA-N 1 0 287.325 3.564 50 0 CHAARO Brc1ccc(SC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000095908596 567909470 /nfs/dbraw/zinc/90/94/70/567909470.db2.gz GXVFKTIJODGSDA-QYJAPNMZSA-N 1 0 298.249 3.824 50 0 CHAARO C[C@@H](c1ccc(-c2n[nH]c(C3CCCC3)n2)cc1)[NH+](C)C ZINC000096151448 567909876 /nfs/dbraw/zinc/90/98/76/567909876.db2.gz LLIRQLJXMZRWTH-LBPRGKRZSA-N 1 0 284.407 3.752 50 0 CHAARO COCCC[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000097514381 567910609 /nfs/dbraw/zinc/91/06/09/567910609.db2.gz OQJGDMNSZQTMKV-ZDUSSCGKSA-N 1 0 283.362 3.603 50 0 CHAARO CCN(CC[NH+]1CCCCCC1)Cc1cc(F)ccc1F ZINC000097636511 567911068 /nfs/dbraw/zinc/91/10/68/567911068.db2.gz BFMHCULOLVZEHQ-UHFFFAOYSA-N 1 0 296.405 3.663 50 0 CHAARO CC(C)Nc1ccc(-c2ccc([C@@H](C)[NH+](C)C)cc2)nn1 ZINC000097759281 567911410 /nfs/dbraw/zinc/91/14/10/567911410.db2.gz YYIGLTOVJLEUCV-CYBMUJFWSA-N 1 0 284.407 3.587 50 0 CHAARO Cc1nc2ccccc2n1CCOc1ccccc1C ZINC000000195551 567924923 /nfs/dbraw/zinc/92/49/23/567924923.db2.gz LZHVORBBGKJMJF-UHFFFAOYSA-N 1 0 266.344 3.732 50 0 CHAARO Cc1ccc([C@H](CC[NH3+])[C@H]2CCOC(C)(C)C2)cc1 ZINC000000201899 567925134 /nfs/dbraw/zinc/92/51/34/567925134.db2.gz GXWXGJWPSDTAAG-HOTGVXAUSA-N 1 0 261.409 3.633 50 0 biogenic CHAARO CC[NH+](CC)CCSc1nc2cc(C)c(C)cc2[nH]1 ZINC000000191590 567925174 /nfs/dbraw/zinc/92/51/74/567925174.db2.gz DAMNKJWLMGZOLS-UHFFFAOYSA-N 1 0 277.437 3.614 50 0 CHAARO Cc1cc(C)c(NC(=O)CC[NH+]2CCCCCC2)c(C)c1 ZINC000000262161 567925736 /nfs/dbraw/zinc/92/57/36/567925736.db2.gz KJCVTRCUIMUEDD-UHFFFAOYSA-N 1 0 288.435 3.816 50 0 CHAARO C[C@@H](CC[NH2+]C1c2ccccc2-c2ccccc21)[S@](C)=O ZINC000166253982 567927227 /nfs/dbraw/zinc/92/72/27/567927227.db2.gz NFCZDHZGDPELJN-YEJXKQKISA-N 1 0 299.439 3.503 50 0 CHAARO COc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc(OC)c1 ZINC000000263775 567935687 /nfs/dbraw/zinc/93/56/87/567935687.db2.gz ZIECMJLJJMFKOW-LJQANCHMSA-N 1 0 297.398 3.871 50 0 CHAARO Cc1cccc([C@H]([NH2+]Cc2ncc[nH]2)C(C)(C)C)c1 ZINC000178614394 567939177 /nfs/dbraw/zinc/93/91/77/567939177.db2.gz IDLKYGRZFJRJHY-HNNXBMFYSA-N 1 0 257.381 3.595 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H]31 ZINC000000518993 567941943 /nfs/dbraw/zinc/94/19/43/567941943.db2.gz HKCFIODYAGNXJQ-PJFSTRORSA-N 1 0 296.414 3.896 50 0 biogenic CHAARO Fc1ccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c(Cl)c1 ZINC000014196669 567942564 /nfs/dbraw/zinc/94/25/64/567942564.db2.gz MZLCWNMQPLWQFP-STQMWFEESA-N 1 0 298.814 3.983 50 0 CHAARO CC[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971860 567945029 /nfs/dbraw/zinc/94/50/29/567945029.db2.gz LBEHEZIHAOWKOM-VIFPVBQESA-N 1 0 282.103 3.878 50 0 CHAARO c1ccc(CN2CCC([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000020088933 567945381 /nfs/dbraw/zinc/94/53/81/567945381.db2.gz JRENNQJESVDKSH-KRWDZBQOSA-N 1 0 284.447 3.597 50 0 CHAARO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cncc(F)c1)CCC2 ZINC000225566322 567953938 /nfs/dbraw/zinc/95/39/38/567953938.db2.gz HOPZOCASTKEOQR-TVQRCGJNSA-N 1 0 291.395 3.714 50 0 CHAARO c1ccc([C@H](Cc2ccccn2)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000225585898 567954136 /nfs/dbraw/zinc/95/41/36/567954136.db2.gz HCSYVPMFZHCBQS-MOPGFXCFSA-N 1 0 294.398 3.648 50 0 CHAARO Cc1cc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)oc1C ZINC000225732295 567954749 /nfs/dbraw/zinc/95/47/49/567954749.db2.gz VTOLEMDHVGYKAG-AWEZNQCLSA-N 1 0 299.418 3.742 50 0 CHAARO CCn1c2ccccc2c(C[NH3+])c1-c1cccs1 ZINC000011805107 570220645 /nfs/dbraw/zinc/22/06/45/570220645.db2.gz SUTFSCSAVDKQNE-UHFFFAOYSA-N 1 0 256.374 3.848 50 0 CHAARO c1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1 ZINC000340443467 570269363 /nfs/dbraw/zinc/26/93/63/570269363.db2.gz HMMWGSDSZUEIRE-UHFFFAOYSA-N 1 0 262.356 3.567 50 0 CHAARO COCC[NH2+]CCCCOc1ccccc1-c1ccccc1 ZINC000003001159 570278615 /nfs/dbraw/zinc/27/86/15/570278615.db2.gz FXJAEQYVUIYOGT-UHFFFAOYSA-N 1 0 299.414 3.749 50 0 CHAARO c1ccc(N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000003683674 570279229 /nfs/dbraw/zinc/27/92/29/570279229.db2.gz QUBRPGLYRRNQGB-UHFFFAOYSA-N 1 0 258.409 3.531 50 0 CHAARO CO[C@H](C)c1cccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000108462824 570294865 /nfs/dbraw/zinc/29/48/65/570294865.db2.gz UIHKEERKLQQKBS-ZOMKSWQUSA-N 1 0 276.424 3.535 50 0 CHAARO Cc1ccc(CN2CCC[C@@H]2c2nccs2)s1 ZINC000215116665 570302321 /nfs/dbraw/zinc/30/23/21/570302321.db2.gz DCTOGIGQBGHDJE-GFCCVEGCSA-N 1 0 264.419 3.850 50 0 CHAARO CSCCC[N@@H+]1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000215731540 570303683 /nfs/dbraw/zinc/30/36/83/570303683.db2.gz FNXFNECDOPDCPB-MRXNPFEDSA-N 1 0 293.476 3.932 50 0 CHAARO c1cc2cccc(CN3CCCC[C@H]3C[NH+]3CCCC3)c2[nH]1 ZINC000216044658 570305053 /nfs/dbraw/zinc/30/50/53/570305053.db2.gz PPKLUWMIWJNHKM-SFHVURJKSA-N 1 0 297.446 3.618 50 0 CHAARO CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C(C)(C)C)C[C@H]1C ZINC000230209331 570316948 /nfs/dbraw/zinc/31/69/48/570316948.db2.gz RJPQYHOYVZTHMX-KDOFPFPSSA-N 1 0 289.419 3.585 50 0 CHAARO C[C@H](c1nc2ccccc2n1C)[NH+]1CCCCCC1 ZINC000082086975 570325099 /nfs/dbraw/zinc/32/50/99/570325099.db2.gz CUKAMMGSYPIKMI-CYBMUJFWSA-N 1 0 257.381 3.510 50 0 CHAARO CC(C)CCO[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000001842933 570355397 /nfs/dbraw/zinc/35/53/97/570355397.db2.gz ISRODTBNJUAWEJ-KRWDZBQOSA-N 1 0 261.409 3.886 50 0 in-man CHAARO CCCC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1cccnc1 ZINC000952975467 614478661 /nfs/dbraw/zinc/47/86/61/614478661.db2.gz IWUUWBGTTIUKRY-MRXNPFEDSA-N 1 0 285.391 3.506 50 0 CHAARO C[NH+](C)C1(CNCc2ccc(F)c(Cl)c2)CCCCC1 ZINC000163766146 1126837281 /nfs/dbraw/zinc/83/72/81/1126837281.db2.gz FTAXYIPJWMDHFH-UHFFFAOYSA-N 1 0 298.833 3.833 50 0 CHAARO CC(C)[C@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000172177097 1127749805 /nfs/dbraw/zinc/74/98/05/1127749805.db2.gz ADHLKQQLSPYJOR-ZDUSSCGKSA-N 1 0 289.379 3.588 50 0 CHAARO Cc1ccccc1C[C@@H]([NH2+]CC1=CCCOC1)c1ccco1 ZINC000863983301 1128718335 /nfs/dbraw/zinc/71/83/35/1128718335.db2.gz FNZGWDKCLASMFV-GOSISDBHSA-N 1 0 297.398 3.808 50 0 CHAARO Clc1ccc(-c2nc(C3CC[NH2+]CC3)cs2)cc1 ZINC000200649124 1117884149 /nfs/dbraw/zinc/88/41/49/1117884149.db2.gz PWIZHHWLJUWJIV-UHFFFAOYSA-N 1 0 278.808 3.931 50 0 CHAARO CC[NH+]1CCC(NC(c2ccccc2)c2ccccc2)CC1 ZINC000002498964 1118574979 /nfs/dbraw/zinc/57/49/79/1118574979.db2.gz IPORINMAEPWMBS-UHFFFAOYSA-N 1 0 294.442 3.850 50 0 CHAARO C[C@@H](c1ccncc1)[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000190210334 1128803466 /nfs/dbraw/zinc/80/34/66/1128803466.db2.gz VEKRTRWXDMMDKW-HNNXBMFYSA-N 1 0 296.414 3.642 50 0 CHAARO CC[NH+](CC)CCCOc1ccccc1Br ZINC000002880591 1119129000 /nfs/dbraw/zinc/12/90/00/1119129000.db2.gz GLUJSARGGQXNRS-UHFFFAOYSA-N 1 0 286.213 3.560 50 0 CHAARO c1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)co1 ZINC000023279635 1119767591 /nfs/dbraw/zinc/76/75/91/1119767591.db2.gz JLQSSAUWRPHKGP-UHFFFAOYSA-N 1 0 265.356 3.840 50 0 CHAARO Cc1c[nH]nc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012241261 1120500651 /nfs/dbraw/zinc/50/06/51/1120500651.db2.gz WGGCWIRZQTYHCR-KRWDZBQOSA-N 1 0 283.419 3.530 50 0 CHAARO C[NH2+]CCCC(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000237225746 1121378128 /nfs/dbraw/zinc/37/81/28/1121378128.db2.gz XALJZSWBNSNLFY-UHFFFAOYSA-N 1 0 294.464 3.824 50 0 CHAARO CC[N@H+](CCSc1ccccc1)C[C@@H]1CCCOC1 ZINC000244641234 1121469168 /nfs/dbraw/zinc/46/91/68/1121469168.db2.gz GLVHGJVAVFUHET-HNNXBMFYSA-N 1 0 279.449 3.527 50 0 CHAARO c1ccc(C[N@@H+]2CC[C@@H](Nc3nc4ccccc4o3)C2)cc1 ZINC000041817346 1122353202 /nfs/dbraw/zinc/35/32/02/1122353202.db2.gz QAMVXNUZKMRPQD-OAHLLOKOSA-N 1 0 293.370 3.514 50 0 CHAARO CCn1cc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)cn1 ZINC000426589153 1122829241 /nfs/dbraw/zinc/82/92/41/1122829241.db2.gz WNWFIVHYDIVMMU-CQSZACIVSA-N 1 0 269.392 3.727 50 0 CHAARO Cc1cnc(C2C[NH+](C3CCCCCC3)C2)n1CC1CC1 ZINC000581812875 1129625232 /nfs/dbraw/zinc/62/52/32/1129625232.db2.gz RPSPUYOFNPRZKO-UHFFFAOYSA-N 1 0 287.451 3.724 50 0 CHAARO CC1=C(CC[N@@H+]2CCC[C@@H](CO)C2)C(C)(C)CCC1 ZINC000000213812 1129736316 /nfs/dbraw/zinc/73/63/16/1129736316.db2.gz DEDIZRGGKALFSE-OAHLLOKOSA-N 1 0 265.441 3.607 50 0 CHAARO c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC000012715675 1129831205 /nfs/dbraw/zinc/83/12/05/1129831205.db2.gz RCTRNDUIGGHENO-HOCLYGCPSA-N 1 0 297.402 3.749 50 0 CHAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000200484888 1130108748 /nfs/dbraw/zinc/10/87/48/1130108748.db2.gz MYRPGNWPGOADOY-AWEZNQCLSA-N 1 0 277.456 3.834 50 0 CHAARO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)F)nc1 ZINC000658024533 1130675759 /nfs/dbraw/zinc/67/57/59/1130675759.db2.gz YKXVFDCFNRSLQF-NXEZZACHSA-N 1 0 293.317 3.532 50 0 CHAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000041970241 1131653543 /nfs/dbraw/zinc/65/35/43/1131653543.db2.gz OPSBRAUXYUMWRZ-UHFFFAOYSA-N 1 0 298.361 3.674 50 0 CHAARO COc1cc([C@H](C)[NH2+]C2CC(c3ccccc3C)C2)ccn1 ZINC000952845722 1132015064 /nfs/dbraw/zinc/01/50/64/1132015064.db2.gz KIKJDUIKFIYIEB-OOHWJJMZSA-N 1 0 296.414 3.995 50 0 CHAARO Cc1cccc(CC[NH2+][C@H](C)/C=C\c2cccs2)n1 ZINC000952876583 1132017576 /nfs/dbraw/zinc/01/75/76/1132017576.db2.gz CHZVPNHAIZWDQT-LJTDUEICSA-N 1 0 272.417 3.686 50 0 CHAARO Cc1cncc(C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000189752591 230396114 /nfs/dbraw/zinc/39/61/14/230396114.db2.gz VGVWZKARZNEHBF-UHFFFAOYSA-N 1 0 296.414 3.571 50 0 CHAARO Cc1ccc(C[NH2+][C@@H](C)c2ccco2)c(N(C)C)c1 ZINC000095969123 185047499 /nfs/dbraw/zinc/04/74/99/185047499.db2.gz QTJVPUGENJOOOM-ZDUSSCGKSA-N 1 0 258.365 3.505 50 0 CHAARO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)nc1 ZINC000220031466 529640176 /nfs/dbraw/zinc/64/01/76/529640176.db2.gz ZAXIIHBCLKGKJA-OAHLLOKOSA-N 1 0 256.349 3.574 50 0 CHAARO c1ccc(-c2nc3ccccc3n2C2CC[NH2+]CC2)cc1 ZINC000002577374 169812668 /nfs/dbraw/zinc/81/26/68/169812668.db2.gz YRJQIVPIIRMQFR-UHFFFAOYSA-N 1 0 277.371 3.628 50 0 CHAARO Cc1cc2ncc3c(n2[o+]1)C(=Cc1ccccc1)CCC3 ZINC000103439018 185841483 /nfs/dbraw/zinc/84/14/83/185841483.db2.gz LVCNMJYTTDSFEV-PTNGSMBKSA-N 1 0 277.347 3.599 50 0 CHAARO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cccc(Cl)c1 ZINC000089947855 179889922 /nfs/dbraw/zinc/88/99/22/179889922.db2.gz RKOQBXYGPHTPSD-OAHLLOKOSA-N 1 0 277.799 3.586 50 0 CHAARO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cccs1 ZINC000090659785 180018899 /nfs/dbraw/zinc/01/88/99/180018899.db2.gz XWOHDSHRTXEVPC-LBPRGKRZSA-N 1 0 299.399 3.691 50 0 CHAARO C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@]1(O)C1CCC1 ZINC000091445132 180156434 /nfs/dbraw/zinc/15/64/34/180156434.db2.gz LONZMPVVKIOFEZ-KUHUBIRLSA-N 1 0 299.414 3.806 50 0 CHAARO CCn1ccnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000092081453 180319799 /nfs/dbraw/zinc/31/97/99/180319799.db2.gz AMEVQXCBXOYTNW-SFHVURJKSA-N 1 0 297.446 3.715 50 0 CHAARO CC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000106624466 186128849 /nfs/dbraw/zinc/12/88/49/186128849.db2.gz NDHSCGIHGZQIJT-NEPJUHHUSA-N 1 0 291.420 3.981 50 0 CHAARO Cc1cnc(CNc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)o1 ZINC000178007315 189085188 /nfs/dbraw/zinc/08/51/88/189085188.db2.gz FJQWHMSMOAXZTR-AWEZNQCLSA-N 1 0 299.418 3.955 50 0 CHAARO Cc1nccn1CCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000179502559 189198401 /nfs/dbraw/zinc/19/84/01/189198401.db2.gz FRSARIZSKNABEM-GOSISDBHSA-N 1 0 283.419 3.591 50 0 CHAARO CC[C@@H](C)[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000181308369 189293478 /nfs/dbraw/zinc/29/34/78/189293478.db2.gz VTNLXFTVCDXWHM-RKDXNWHRSA-N 1 0 277.334 3.511 50 0 CHAARO Cc1cccc(C2=CC[N@H+]([C@@H](C)c3cnccn3)CC2)c1 ZINC000184709405 189393120 /nfs/dbraw/zinc/39/31/20/189393120.db2.gz AZBKXHNAYDFBTN-HNNXBMFYSA-N 1 0 279.387 3.635 50 0 CHAARO c1ccc2c(c1)cccc2OCCCC[NH2+]C[C@@H]1CCCO1 ZINC000002591738 169814545 /nfs/dbraw/zinc/81/45/45/169814545.db2.gz GJARMTNGCCGKHM-KRWDZBQOSA-N 1 0 299.414 3.767 50 0 CHAARO CSc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1F ZINC000097016373 533002159 /nfs/dbraw/zinc/00/21/59/533002159.db2.gz PZQHPNQEXKSLMY-SNVBAGLBSA-N 1 0 265.353 3.991 50 0 CHAARO C[C@H](CC(C)(C)[NH+]1CCCCC1)OC(=O)C(C)(C)C ZINC000004957719 256776673 /nfs/dbraw/zinc/77/66/73/256776673.db2.gz VBXXZAWRWWUSQH-CYBMUJFWSA-N 1 0 269.429 3.619 50 0 CHAARO Cc1ccc(C(C)C)c(OCC[NH2+]Cc2cccnc2)c1 ZINC000002845109 533639125 /nfs/dbraw/zinc/63/91/25/533639125.db2.gz DUMYCDKTACRPQT-UHFFFAOYSA-N 1 0 284.403 3.682 50 0 CHAARO CC1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC000230532256 130904819 /nfs/dbraw/zinc/90/48/19/130904819.db2.gz KSQQWPWOFHPYBV-UHFFFAOYSA-N 1 0 282.225 3.724 50 0 CHAARO COc1ccc(-c2[nH]c3ccccc3c2SCC[NH3+])cc1 ZINC000002455191 169792578 /nfs/dbraw/zinc/79/25/78/169792578.db2.gz FFWUFVNXEUBKSS-UHFFFAOYSA-N 1 0 298.411 3.894 50 0 CHAARO CCC[NH2+]CC[C@H](c1ccco1)c1ccccc1OC ZINC000002451164 169792637 /nfs/dbraw/zinc/79/26/37/169792637.db2.gz SNTRWRFPXFTCOV-HNNXBMFYSA-N 1 0 273.376 3.810 50 0 CHAARO COCC[NH2+]CCCCOc1cc(C)ccc1C(C)(C)C ZINC000003003303 169848948 /nfs/dbraw/zinc/84/89/48/169848948.db2.gz RZAXCVYFCWXQCX-UHFFFAOYSA-N 1 0 293.451 3.688 50 0 CHAARO NC(=[NH2+])Sc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000003866082 169917828 /nfs/dbraw/zinc/91/78/28/169917828.db2.gz PDOMEDGRLWFILG-UHFFFAOYSA-N 1 0 299.374 3.814 50 0 CHAARO C[C@H]1C[C@H](C)C[NH+](CCCCOc2ccc(F)cc2)C1 ZINC000004426760 169967890 /nfs/dbraw/zinc/96/78/90/169967890.db2.gz DLVVQEAVYKASPK-GJZGRUSLSA-N 1 0 279.399 3.963 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000004743787 170009462 /nfs/dbraw/zinc/00/94/62/170009462.db2.gz UCDGRAQDXGRBCS-CHWSQXEVSA-N 1 0 294.826 3.647 50 0 CHAARO Cc1ccc(C)c(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004743749 170009911 /nfs/dbraw/zinc/00/99/11/170009911.db2.gz SNFXETNYWHPWJA-GJZGRUSLSA-N 1 0 288.435 3.610 50 0 CHAARO C[NH+](C)CCC(=O)c1ccc2oc3ccccc3c2c1 ZINC000004798287 170018921 /nfs/dbraw/zinc/01/89/21/170018921.db2.gz UFFSNMKPZVTCDK-UHFFFAOYSA-N 1 0 267.328 3.720 50 0 CHAARO C[C@H](C[NH2+]C[C@@H]1CCCO1)COc1cccc2ccccc21 ZINC000004811911 170021614 /nfs/dbraw/zinc/02/16/14/170021614.db2.gz VOHCIXMVPQJCBT-WBVHZDCISA-N 1 0 299.414 3.623 50 0 CHAARO COc1ccc(C[NH2+]C2CCCCCCC2)c(OC)c1 ZINC000004986715 170049671 /nfs/dbraw/zinc/04/96/71/170049671.db2.gz XWRAYRVOEFSWGT-UHFFFAOYSA-N 1 0 277.408 3.906 50 0 CHAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000004989530 170050049 /nfs/dbraw/zinc/05/00/49/170050049.db2.gz WXDYBOQYGRPRJT-HNNXBMFYSA-N 1 0 299.414 3.815 50 0 CHAARO COc1ccc(CC[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000004989294 170050122 /nfs/dbraw/zinc/05/01/22/170050122.db2.gz NWPBZZZSRRSPMT-HNNXBMFYSA-N 1 0 299.414 3.554 50 0 CHAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004989507 170050275 /nfs/dbraw/zinc/05/02/75/170050275.db2.gz IQQSZVDAPCWOQU-CQSZACIVSA-N 1 0 283.371 3.526 50 0 CHAARO Cc1cc(C[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000005043208 170059447 /nfs/dbraw/zinc/05/94/47/170059447.db2.gz NMIAUBDGCYDHPZ-UHFFFAOYSA-N 1 0 261.409 3.984 50 0 CHAARO C[N@@H+]1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000005719742 170132694 /nfs/dbraw/zinc/13/26/94/170132694.db2.gz GWFPZNWTHIITBJ-IAGOWNOFSA-N 1 0 299.801 3.868 50 0 CHAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)CC[C@@]1(O)c1ccccc1 ZINC000005729951 170134506 /nfs/dbraw/zinc/13/45/06/170134506.db2.gz MIQQNFDIJGZCGD-LZQZEXGQSA-N 1 0 281.399 3.587 50 0 CHAARO CCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000006536768 170211221 /nfs/dbraw/zinc/21/12/21/170211221.db2.gz GVJMKTMUFZLCIQ-UHFFFAOYSA-N 1 0 292.206 3.518 50 0 CHAARO CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000006697175 170226733 /nfs/dbraw/zinc/22/67/33/170226733.db2.gz LBHBIAJHLSGEQI-UHFFFAOYSA-N 1 0 289.350 3.523 50 0 CHAARO CCOc1cccc(C[NH2+]C2CC2)c1OCc1ccccc1 ZINC000006729458 170234787 /nfs/dbraw/zinc/23/47/87/170234787.db2.gz ADTBFVIFOHKAIO-UHFFFAOYSA-N 1 0 297.398 3.916 50 0 CHAARO CC[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006788125 170243806 /nfs/dbraw/zinc/24/38/06/170243806.db2.gz CILWEQVQHBKYMA-RKDXNWHRSA-N 1 0 289.206 3.709 50 0 CHAARO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000008142705 170321317 /nfs/dbraw/zinc/32/13/17/170321317.db2.gz RLVQLZXINSMGIX-WCQYABFASA-N 1 0 294.826 3.707 50 0 CHAARO [NH3+]C[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000015446323 170667347 /nfs/dbraw/zinc/66/73/47/170667347.db2.gz LATNYXQBUMMTKW-AWEZNQCLSA-N 1 0 265.278 3.796 50 0 CHAARO O[C@H](C[NH2+]Cc1cccc2ccccc21)c1ccccc1 ZINC000016477526 170698795 /nfs/dbraw/zinc/69/87/95/170698795.db2.gz ZYWPUMMNNPPJAZ-LJQANCHMSA-N 1 0 277.367 3.663 50 0 CHAARO NC(=[NH2+])Nc1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000018054087 170741074 /nfs/dbraw/zinc/74/10/74/170741074.db2.gz BOGIJBDMOQJRFY-SDNWHVSQSA-N 1 0 261.328 3.559 50 0 CHAARO Fc1cccc(CN2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000019789306 170867276 /nfs/dbraw/zinc/86/72/76/170867276.db2.gz PMVTWECIMYLYKW-UHFFFAOYSA-N 1 0 290.426 3.666 50 0 CHAARO COc1ccc([C@H](C)[NH2+]C2CCC(C)CC2)c(OC)c1 ZINC000019918008 170926874 /nfs/dbraw/zinc/92/68/74/170926874.db2.gz KHGDUCLLIVORHM-MOKVOYLWSA-N 1 0 277.408 3.933 50 0 CHAARO CC[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000020124414 171006437 /nfs/dbraw/zinc/00/64/37/171006437.db2.gz OQCRGGAWRHBOSL-HNNXBMFYSA-N 1 0 287.334 3.795 50 0 CHAARO CC(C)=CCC[C@H](C)C[C@@H]1OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000020130672 171019353 /nfs/dbraw/zinc/01/93/53/171019353.db2.gz BABQJPAGASLVKB-RCCFBDPRSA-N 1 0 295.467 3.986 50 0 CHAARO CC(C)[C@H](CC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000020573392 171256119 /nfs/dbraw/zinc/25/61/19/171256119.db2.gz HOSQHUKNCZIYJP-KRWDZBQOSA-N 1 0 294.870 3.717 50 0 CHAARO COCCC[NH2+][C@H](C)CC[C@@H](C)Oc1ccccc1C ZINC000022064856 171351798 /nfs/dbraw/zinc/35/17/98/171351798.db2.gz JKGRVROLTFTBSL-HZPDHXFCSA-N 1 0 279.424 3.557 50 0 CHAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000022197653 171372009 /nfs/dbraw/zinc/37/20/09/171372009.db2.gz CQAZTFFHPNQMJB-NSHDSACASA-N 1 0 298.789 3.540 50 0 CHAARO O[C@@H](CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000022215816 171375551 /nfs/dbraw/zinc/37/55/51/171375551.db2.gz YRKGHRWEQRXNBR-MOPGFXCFSA-N 1 0 281.399 3.600 50 0 CHAARO Cc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000027788783 171532730 /nfs/dbraw/zinc/53/27/30/171532730.db2.gz ZPFCIPUPYAJXGP-UHFFFAOYSA-N 1 0 275.375 3.686 50 0 CHAARO c1ccc(COc2cccc([C@@H]3[NH2+]CCS3)c2)cc1 ZINC000035505005 172238576 /nfs/dbraw/zinc/23/85/76/172238576.db2.gz SDHXREBBMPUELS-MRXNPFEDSA-N 1 0 271.385 3.601 50 0 CHAARO C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000045734931 175382777 /nfs/dbraw/zinc/38/27/77/175382777.db2.gz BFZGBODCZCPXLE-LBPRGKRZSA-N 1 0 274.339 3.713 50 0 CHAARO Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000051099993 175523058 /nfs/dbraw/zinc/52/30/58/175523058.db2.gz GBZAHSJSEPBFNM-DLBZAZTESA-N 1 0 259.393 3.605 50 0 CHAARO C[N@@H+]1CCC[C@H](CSc2nnc(C3CCCCC3)o2)C1 ZINC000071886128 176289919 /nfs/dbraw/zinc/28/99/19/176289919.db2.gz MUDHWSTUTDHBPA-LBPRGKRZSA-N 1 0 295.452 3.551 50 0 CHAARO Cc1cccc(-c2cc(NCC[NH+](C)C)nc3[nH]ccc32)c1 ZINC000072138798 176322792 /nfs/dbraw/zinc/32/27/92/176322792.db2.gz YPXOVLUCTHNKFA-UHFFFAOYSA-N 1 0 294.402 3.512 50 0 CHAARO CC[C@@H]1CN(Cc2ccccc2SC)CC[N@@H+]1C(C)C ZINC000072156563 176328488 /nfs/dbraw/zinc/32/84/88/176328488.db2.gz HFJMLHHOZRHOSX-MRXNPFEDSA-N 1 0 292.492 3.713 50 0 CHAARO FCCC[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072162833 176330515 /nfs/dbraw/zinc/33/05/15/176330515.db2.gz FVTYFVHJBLYVGA-HNNXBMFYSA-N 1 0 267.363 3.830 50 0 CHAARO CCc1nccc(C[N@H+](C)[C@H]2CCCc3ccccc32)n1 ZINC000072166962 176331713 /nfs/dbraw/zinc/33/17/13/176331713.db2.gz GUGWNLSYXWTLBX-KRWDZBQOSA-N 1 0 281.403 3.548 50 0 CHAARO CC[C@@H](O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000072268820 176353034 /nfs/dbraw/zinc/35/30/34/176353034.db2.gz ZRSQEEGNLYTKMO-QGZVFWFLSA-N 1 0 269.388 3.556 50 0 CHAARO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1Br ZINC000072302963 176365439 /nfs/dbraw/zinc/36/54/39/176365439.db2.gz SXSHQFHMFUZTTD-SNVBAGLBSA-N 1 0 279.181 3.628 50 0 CHAARO C[C@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1ccco1 ZINC000072334038 176370359 /nfs/dbraw/zinc/37/03/59/176370359.db2.gz HECRTIIJPYRXOR-JJRVBVJISA-N 1 0 289.419 3.955 50 0 CHAARO Cc1ccccc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072412050 176398969 /nfs/dbraw/zinc/39/89/69/176398969.db2.gz LXDYKMKGIZDHFK-INIZCTEOSA-N 1 0 266.388 3.770 50 0 CHAARO Cc1nc[nH]c1C[N@@H+]1CCCC[C@H]1CCc1cccs1 ZINC000077356830 177257040 /nfs/dbraw/zinc/25/70/40/177257040.db2.gz URFUKCXCUPOHGE-AWEZNQCLSA-N 1 0 289.448 3.767 50 0 CHAARO CCn1ccc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)n1 ZINC000414214441 262826263 /nfs/dbraw/zinc/82/62/63/262826263.db2.gz WFKUQSYKGDPTCB-OAHLLOKOSA-N 1 0 285.435 3.749 50 0 CHAARO Cc1c(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)cnn1C ZINC000426739670 533693411 /nfs/dbraw/zinc/69/34/11/533693411.db2.gz HBKRVXGKBZJJND-ZDUSSCGKSA-N 1 0 269.392 3.552 50 0 CHAARO c1ccc(CN2CCC([NH2+]C3CCCCCC3)CC2)cc1 ZINC000000280546 327636855 /nfs/dbraw/zinc/63/68/55/327636855.db2.gz HVXKCZITTCDJNM-UHFFFAOYSA-N 1 0 286.463 3.963 50 0 CHAARO C[C@@H](c1ccc(-c2ccnc(CO)c2)cc1)[NH+]1CCCCC1 ZINC000534581619 328311884 /nfs/dbraw/zinc/31/18/84/328311884.db2.gz METXOJVBPNDCRA-HNNXBMFYSA-N 1 0 296.414 3.788 50 0 CHAARO O=C1C2(CCCCC2)[C@@H]([NH+]2CCCC2)[C@@]12CC=CCC2 ZINC000043215041 328754207 /nfs/dbraw/zinc/75/42/07/328754207.db2.gz XPHRGMDHYLOARH-RDJZCZTQSA-N 1 0 273.420 3.711 50 0 CHAARO C[C@H]1C[C@H]([NH2+]C2CCC(O)CC2)c2ccsc2S1 ZINC000090800607 330396383 /nfs/dbraw/zinc/39/63/83/330396383.db2.gz AZZSPCXBAGUEBL-YUVKLTJASA-N 1 0 283.462 3.567 50 0 CHAARO C[N@H+](Cc1cc(F)cc(Br)c1)C1CCC1 ZINC000135648839 334135178 /nfs/dbraw/zinc/13/51/78/334135178.db2.gz PRFPTKALSXDLLS-UHFFFAOYSA-N 1 0 272.161 3.573 50 0 CHAARO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000096478216 523860787 /nfs/dbraw/zinc/86/07/87/523860787.db2.gz XXHLDOJMQQMTGQ-MAUKXSAKSA-N 1 0 299.414 3.778 50 0 CHAARO Cc1ccc(OCCOCC[NH+]2CCCCC2)c(Cl)c1 ZINC000016666981 525425604 /nfs/dbraw/zinc/42/56/04/525425604.db2.gz DNNSQTVANAZWFJ-UHFFFAOYSA-N 1 0 297.826 3.530 50 0 CHAARO CSc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1 ZINC000019872150 526007074 /nfs/dbraw/zinc/00/70/74/526007074.db2.gz IAOBRCUYXDCAQZ-DYVFJYSZSA-N 1 0 287.428 3.620 50 0 CHAARO CC(C)C[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008314111 528065174 /nfs/dbraw/zinc/06/51/74/528065174.db2.gz LMCTUBBFJVOQTN-UHFFFAOYSA-N 1 0 298.386 3.663 50 0 CHAARO CC[C@@H](C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775045 567892161 /nfs/dbraw/zinc/89/21/61/567892161.db2.gz RDXNLUDUYXGEEU-YPMHNXCESA-N 1 0 267.800 3.984 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000034996583 566843270 /nfs/dbraw/zinc/84/32/70/566843270.db2.gz XPZQVTMIUFGYRE-CQSZACIVSA-N 1 0 274.389 3.618 50 0 CHAARO CC(C)(C)n1c[n+](-c2cccc(F)c2)c(-c2ccccc2)n1 ZINC000012551141 566849933 /nfs/dbraw/zinc/84/99/33/566849933.db2.gz FUTJVWRKVPYSOK-UHFFFAOYSA-N 1 0 296.369 3.721 50 0 CHAARO c1[nH]nc([C@@H]2CCC[NH2+]C2)c1-c1cccc2ccccc21 ZINC000299796576 566854374 /nfs/dbraw/zinc/85/43/74/566854374.db2.gz OWIALWCOJRAGCJ-CQSZACIVSA-N 1 0 277.371 3.697 50 0 CHAARO [NH3+]Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccn21 ZINC000031975508 566858314 /nfs/dbraw/zinc/85/83/14/566858314.db2.gz AFFAHWOICGPNQJ-UHFFFAOYSA-N 1 0 292.169 3.767 50 0 CHAARO Cc1cc2c3ccccc3n(CCC[NH+](C)C)c2c(C)n1 ZINC000001280602 566858986 /nfs/dbraw/zinc/85/89/86/566858986.db2.gz LHEQMTCMJWEKGO-UHFFFAOYSA-N 1 0 281.403 3.758 50 0 CHAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000104341620 566906484 /nfs/dbraw/zinc/90/64/84/566906484.db2.gz ZBJDYUPPOBSMOV-YJBOKZPZSA-N 1 0 297.446 3.955 50 0 CHAARO CC[NH+](CC)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000082609089 566919158 /nfs/dbraw/zinc/91/91/58/566919158.db2.gz LBFZKTNUEFENLG-HNNXBMFYSA-N 1 0 292.423 3.594 50 0 CHAARO Fc1cccc(Cl)c1C[NH2+]CCNc1ccccc1 ZINC000075108026 566936586 /nfs/dbraw/zinc/93/65/86/566936586.db2.gz VITLRRMJZJUZQS-UHFFFAOYSA-N 1 0 278.758 3.681 50 0 CHAARO Cc1ncsc1CC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000089558829 566984408 /nfs/dbraw/zinc/98/44/08/566984408.db2.gz FIZVGJCYQWZHKJ-UHFFFAOYSA-N 1 0 295.477 3.592 50 0 CHAARO CC(C)Cc1ccc(-c2ccc(-n3ccnc3)nn2)cc1 ZINC000426415701 566987985 /nfs/dbraw/zinc/98/79/85/566987985.db2.gz YHFPUBMWXLBOON-UHFFFAOYSA-N 1 0 278.359 3.528 50 0 CHAARO CCc1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)nn1C ZINC000426382817 566988316 /nfs/dbraw/zinc/98/83/16/566988316.db2.gz VAGUEJMFLBJPCM-CQSZACIVSA-N 1 0 298.434 3.591 50 0 CHAARO c1cc2cc(-c3ccc(C[NH+]4CCCC4)cn3)ccc2[nH]1 ZINC000426612855 566990321 /nfs/dbraw/zinc/99/03/21/566990321.db2.gz OEJNSVFSZHAPBJ-UHFFFAOYSA-N 1 0 277.371 3.826 50 0 CHAARO Cc1nc(C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)co1 ZINC000426691114 566992019 /nfs/dbraw/zinc/99/20/19/566992019.db2.gz BHMGNOLLQPCBIA-MRXNPFEDSA-N 1 0 270.376 3.609 50 0 CHAARO CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccc(C)o1 ZINC000036098048 566993217 /nfs/dbraw/zinc/99/32/17/566993217.db2.gz LCZHIGUDUPBNBM-OAHLLOKOSA-N 1 0 267.413 3.597 50 0 CHAARO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C)cc1 ZINC000036101757 566993310 /nfs/dbraw/zinc/99/33/10/566993310.db2.gz FEVSLFPCNNRKPG-LJQANCHMSA-N 1 0 283.415 3.768 50 0 CHAARO C([C@@H]1CO[C@]2(CC[C@@H]3CCCC[C@H]3C2)O1)[NH+]1CCCCC1 ZINC000239432990 567010448 /nfs/dbraw/zinc/01/04/48/567010448.db2.gz XBGMCAWJVPHBRD-WNRNVDISSA-N 1 0 293.451 3.574 50 0 CHAARO CC[C@H](C)[NH2+]CCCOc1ccccc1Br ZINC000002823208 567037412 /nfs/dbraw/zinc/03/74/12/567037412.db2.gz PHFQKJYHBLEBKI-NSHDSACASA-N 1 0 286.213 3.606 50 0 CHAARO CC[C@H](C)[NH2+]CCOCCOc1cccc(C(C)C)c1 ZINC000002822957 567037433 /nfs/dbraw/zinc/03/74/33/567037433.db2.gz ZATYJKIKMXKVMW-HNNXBMFYSA-N 1 0 279.424 3.594 50 0 CHAARO Cc1cc(C)c(C[NH2+][C@H](C)c2ccncc2F)c(C)c1 ZINC000252503292 567060258 /nfs/dbraw/zinc/06/02/58/567060258.db2.gz VASHXXPTWMBTOE-CQSZACIVSA-N 1 0 272.367 3.997 50 0 CHAARO CC[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2[nH]ccc2c1 ZINC000252491200 567060830 /nfs/dbraw/zinc/06/08/30/567060830.db2.gz LIYVWXOJNXFCML-UHFFFAOYSA-N 1 0 296.418 3.967 50 0 CHAARO C[C@H]([NH2+]Cc1ccco1)c1cc(Br)cs1 ZINC000193940497 567062534 /nfs/dbraw/zinc/06/25/34/567062534.db2.gz MURWITCJFUBMHB-QMMMGPOBSA-N 1 0 286.194 3.954 50 0 CHAARO CSc1ccc(C[NH2+][C@H](C)c2c(C)nn(C)c2C)cc1 ZINC000253422973 567097984 /nfs/dbraw/zinc/09/79/84/567097984.db2.gz ODKUFFQXYZSGOI-LLVKDONJSA-N 1 0 289.448 3.610 50 0 CHAARO C[NH+](C)CCCOc1ccc(C2=CCCCC2)cc1 ZINC000096027327 567138862 /nfs/dbraw/zinc/13/88/62/567138862.db2.gz YITJWFKKGMFXJH-UHFFFAOYSA-N 1 0 259.393 3.975 50 0 CHAARO CC[N@H+](Cc1cc(Cl)ccc1Cl)C(C)(C)CO ZINC000095405701 567127664 /nfs/dbraw/zinc/12/76/64/567127664.db2.gz HOMHPCVOTHZRMS-UHFFFAOYSA-N 1 0 276.207 3.586 50 0 CHAARO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)CCc1ccccc1)CCC2 ZINC000095402205 567128088 /nfs/dbraw/zinc/12/80/88/567128088.db2.gz VOGUPXQIKUDKHM-MAUKXSAKSA-N 1 0 297.446 3.680 50 0 CHAARO CC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1 ZINC000095421035 567131736 /nfs/dbraw/zinc/13/17/36/567131736.db2.gz RFKUVNHDGHLCFX-CQSZACIVSA-N 1 0 289.379 3.776 50 0 CHAARO CCc1nc(CC[NH2+][C@@H](C)c2ccco2)sc1C ZINC000095421590 567132005 /nfs/dbraw/zinc/13/20/05/567132005.db2.gz KBIAOIXZYQUTMX-JTQLQIEISA-N 1 0 264.394 3.500 50 0 CHAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1scnc1C ZINC000095421965 567132508 /nfs/dbraw/zinc/13/25/08/567132508.db2.gz ADQZJKGMZRPMLN-SECBINFHSA-N 1 0 296.823 3.964 50 0 CHAARO C[C@@H]1C[NH+](Cc2cc3ccccc3s2)C[C@@H](C)O1 ZINC000095430491 567133048 /nfs/dbraw/zinc/13/30/48/567133048.db2.gz UNIBBCRFNILCPB-VXGBXAGGSA-N 1 0 261.390 3.511 50 0 CHAARO OCCCCC[NH+]1CCC(c2ccccc2Cl)CC1 ZINC000096026581 567138371 /nfs/dbraw/zinc/13/83/71/567138371.db2.gz GRMYIFYCLIBCTG-UHFFFAOYSA-N 1 0 281.827 3.682 50 0 CHAARO c1ccc(O[C@H]2CCC[NH2+][C@@H]2c2ccccc2)cc1 ZINC000096027213 567138378 /nfs/dbraw/zinc/13/83/78/567138378.db2.gz NMSLARHWBMBDOA-DLBZAZTESA-N 1 0 253.345 3.559 50 0 CHAARO c1ccc(OCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000096027204 567139509 /nfs/dbraw/zinc/13/95/09/567139509.db2.gz ZLRJOCORTVYDKN-SFHVURJKSA-N 1 0 281.399 3.945 50 0 CHAARO CCOc1cc(C[N@H+](C)C(C)C)ccc1OC(F)F ZINC000097221295 567144034 /nfs/dbraw/zinc/14/40/34/567144034.db2.gz HXXFCOHCQLAZRH-UHFFFAOYSA-N 1 0 273.323 3.527 50 0 CHAARO CC(C)(C)c1c[n+](-c2ccccc2)c2n1CCCS2 ZINC000003229499 567165254 /nfs/dbraw/zinc/16/52/54/567165254.db2.gz GDMDUGPNHXKXAD-UHFFFAOYSA-N 1 0 273.425 3.558 50 0 CHAARO CC[C@H]1CCCCN1CC(=O)c1ccc(Cl)s1 ZINC000003306944 567167207 /nfs/dbraw/zinc/16/72/07/567167207.db2.gz YEXVPVSIPDASRF-JTQLQIEISA-N 1 0 271.813 3.849 50 0 CHAARO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC000670435521 567168020 /nfs/dbraw/zinc/16/80/20/567168020.db2.gz HAAUCIGMMKOGKI-LJQANCHMSA-N 1 0 296.414 3.675 50 0 CHAARO C[NH+](C)CCCOc1ccc(OCc2ccccc2)cc1 ZINC000003363309 567172517 /nfs/dbraw/zinc/17/25/17/567172517.db2.gz QKRRRCYPBMVCRM-UHFFFAOYSA-N 1 0 285.387 3.596 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@@H](CC)c2c(C)nn(C)c2C)o1 ZINC000133847629 567185770 /nfs/dbraw/zinc/18/57/70/567185770.db2.gz OPSAMYKIPSLRIM-NHYWBVRUSA-N 1 0 289.423 3.994 50 0 CHAARO c1ncc(C[NH+]2CCC3(CCc4ccccc43)CC2)s1 ZINC000670471857 567195279 /nfs/dbraw/zinc/19/52/79/567195279.db2.gz ANEXZSMGNRYLPI-UHFFFAOYSA-N 1 0 284.428 3.623 50 0 CHAARO CCCOC[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000670473275 567196716 /nfs/dbraw/zinc/19/67/16/567196716.db2.gz SRPGJFMCPHPEIW-CQSZACIVSA-N 1 0 299.361 3.537 50 0 CHAARO CCCC[NH2+][C@H]1c2ccccc2C(=O)N1CCC(C)C ZINC000009730668 567205660 /nfs/dbraw/zinc/20/56/60/567205660.db2.gz HUCLMIYAMYOHCF-MRXNPFEDSA-N 1 0 274.408 3.577 50 0 CHAARO Cc1ccccc1[C@H](OCC[NH+](C)C)c1ccccc1 ZINC000000000565 567816504 /nfs/dbraw/zinc/81/65/04/567816504.db2.gz QVYRGXJJSLMXQH-GOSISDBHSA-N 1 0 269.388 3.663 50 0 fda CHAARO Cc1ccc(-c2noc(C[NH+]3[C@@H](C)CCC[C@@H]3C)n2)cc1 ZINC000000203400 567822010 /nfs/dbraw/zinc/82/20/10/567822010.db2.gz CQUMGLVPEKJJSI-KBPBESRZSA-N 1 0 285.391 3.808 50 0 aggregator CHAARO COc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1OC ZINC000000228075 567822513 /nfs/dbraw/zinc/82/25/13/567822513.db2.gz BVXPLFANJOANFL-QGZVFWFLSA-N 1 0 297.398 3.871 50 0 CHAARO CCCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019906962 567879639 /nfs/dbraw/zinc/87/96/39/567879639.db2.gz ZVPDAJUXNRWLGV-SNVBAGLBSA-N 1 0 256.187 3.900 50 0 CHAARO C[N@@H+]1CCC2=C(C1)c1ccccc1Cc1ccccc12 ZINC000001482169 567837544 /nfs/dbraw/zinc/83/75/44/567837544.db2.gz GVPIXRLYKVFFMK-UHFFFAOYSA-N 1 0 261.368 3.837 50 0 world CHAARO CC(C)=CC[N@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C ZINC000002015833 567844121 /nfs/dbraw/zinc/84/41/21/567844121.db2.gz VOKSWYLNZZRQPF-CCKFTAQKSA-N 1 0 285.431 3.883 50 0 in-vitro CHAARO COc1cc2c(cc1OC)[C@@H](CCc1ccccc1)[NH2+]CC2 ZINC000002011313 567844246 /nfs/dbraw/zinc/84/42/46/567844246.db2.gz ZSTCPHVBMNDKEB-QGZVFWFLSA-N 1 0 297.398 3.523 50 0 CHAARO CCCCc1c(CCC)c(=[NH2+])c2ccccc2n1C ZINC000002055839 567844537 /nfs/dbraw/zinc/84/45/37/567844537.db2.gz KEUFFISILHOPIT-UHFFFAOYSA-N 1 0 256.393 3.953 50 0 CHAARO CCCCCSc1cc(OC)c(CC[NH2+]C)cc1OC ZINC000002193136 567845096 /nfs/dbraw/zinc/84/50/96/567845096.db2.gz VYUFRDMGURKYMP-UHFFFAOYSA-N 1 0 297.464 3.748 50 0 CHAARO Clc1cccc(OCCC[NH+]2CCCCC2)c1 ZINC000002497245 567845753 /nfs/dbraw/zinc/84/57/53/567845753.db2.gz RKZDLFVSZUDGIW-UHFFFAOYSA-N 1 0 253.773 3.595 50 0 CHAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cc(F)cc(F)c1 ZINC000002514924 567846444 /nfs/dbraw/zinc/84/64/44/567846444.db2.gz VISMMMDZJUNXRB-UHFFFAOYSA-N 1 0 299.320 3.568 50 0 CHAARO C[NH2+]C[C@@H](C)CN1c2ccccc2CCc2ccccc21 ZINC000002570841 567848364 /nfs/dbraw/zinc/84/83/64/567848364.db2.gz FUEUKSCRQNPXKS-OAHLLOKOSA-N 1 0 280.415 3.779 50 0 in-vitro CHAARO COc1ccc2[nH]cc(CC[NH+](C(C)C)C(C)C)c2c1 ZINC000002583773 567848897 /nfs/dbraw/zinc/84/88/97/567848897.db2.gz DNBPMBJFRRVTSJ-UHFFFAOYSA-N 1 0 274.408 3.838 50 0 in-man CHAARO Clc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000002880373 567850373 /nfs/dbraw/zinc/85/03/73/567850373.db2.gz CBCQAEIRNSCPRP-UHFFFAOYSA-N 1 0 253.773 3.595 50 0 CHAARO CCCC[NH2+]CCCCOc1cccc(Cl)c1 ZINC000002902507 567850531 /nfs/dbraw/zinc/85/05/31/567850531.db2.gz NFHXQKXHVBEILY-UHFFFAOYSA-N 1 0 255.789 3.889 50 0 CHAARO CC[NH+](CC)CCCCCCOc1ccc(OC)cc1 ZINC000003106142 567851257 /nfs/dbraw/zinc/85/12/57/567851257.db2.gz UXZWMCMPDVBHDC-UHFFFAOYSA-N 1 0 279.424 3.976 50 0 CHAARO Clc1ccc(-c2cc(C3CC[NH2+]CC3)[nH]n2)c(Cl)c1 ZINC000004024565 567854822 /nfs/dbraw/zinc/85/48/22/567854822.db2.gz FKEBRCPVZPTAMC-UHFFFAOYSA-N 1 0 296.201 3.851 50 0 CHAARO Fc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000004657561 567858811 /nfs/dbraw/zinc/85/88/11/567858811.db2.gz GAVZNUSBNNCFFC-UHFFFAOYSA-N 1 0 294.167 3.878 50 0 CHAARO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH3+] ZINC000042288994 567891187 /nfs/dbraw/zinc/89/11/87/567891187.db2.gz AJBZVMQIODFKQN-SSDOTTSWSA-N 1 0 297.221 3.901 50 0 CHAARO c1ccc(-c2nnc(C[NH2+]C3CCCCCC3)o2)cc1 ZINC000012374334 567862983 /nfs/dbraw/zinc/86/29/83/567862983.db2.gz MIXBVMRRUVNAMU-UHFFFAOYSA-N 1 0 271.364 3.549 50 0 CHAARO Clc1ccc(CC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000013281346 567865584 /nfs/dbraw/zinc/86/55/84/567865584.db2.gz AOGYSXRTTSZVQB-UHFFFAOYSA-N 1 0 281.186 3.721 50 0 CHAARO Cc1ccccc1C[n+]1cc(-c2ccccc2)n2c1CCC2 ZINC000013777932 567868065 /nfs/dbraw/zinc/86/80/65/567868065.db2.gz LNQAKZHBIHEFBK-UHFFFAOYSA-N 1 0 289.402 3.746 50 0 CHAARO CC(C)(C)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000014632394 567869568 /nfs/dbraw/zinc/86/95/68/567869568.db2.gz RAPBAPJAFSDHLW-UHFFFAOYSA-N 1 0 261.409 3.753 50 0 CHAARO c1cc2c(s1)[C@@H]1CCCC[C@@H]1O[C@@]21C[NH+]2CCC1CC2 ZINC000015024439 567870215 /nfs/dbraw/zinc/87/02/15/567870215.db2.gz YOTNJKHOKZAJDD-UKPHBRMFSA-N 1 0 289.444 3.725 50 0 CHAARO C[C@H]1C[C@H](C)C[NH+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695546 567873621 /nfs/dbraw/zinc/87/36/21/567873621.db2.gz FWNWUVHKTALMLV-RYUDHWBXSA-N 1 0 295.810 3.684 50 0 CHAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(Cl)cc1Cl ZINC000019771277 567879191 /nfs/dbraw/zinc/87/91/91/567879191.db2.gz GMBQVXMEPMJXFC-IAQYHMDHSA-N 1 0 299.245 3.662 50 0 CHAARO Cc1ccc(CN2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019832055 567879300 /nfs/dbraw/zinc/87/93/00/567879300.db2.gz QIJBUDHCSCXHIQ-UHFFFAOYSA-N 1 0 286.463 3.835 50 0 CHAARO CC[C@H](C)[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019889525 567879783 /nfs/dbraw/zinc/87/97/83/567879783.db2.gz KFQCJYMXNGJCIP-INIZCTEOSA-N 1 0 282.431 3.756 50 0 CHAARO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000019882214 567879791 /nfs/dbraw/zinc/87/97/91/567879791.db2.gz ROSKTXKLTYIKJN-UWVGGRQHSA-N 1 0 256.187 3.898 50 0 CHAARO CCOc1ccc([C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000019967420 567880505 /nfs/dbraw/zinc/88/05/05/567880505.db2.gz JNZWYHLQVPTSOU-OAHLLOKOSA-N 1 0 261.752 3.787 50 0 CHAARO C[C@H]1CC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000023280490 567881755 /nfs/dbraw/zinc/88/17/55/567881755.db2.gz MUKACTBNOKAZQD-XJKSGUPXSA-N 1 0 278.827 3.651 50 0 CHAARO C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1 ZINC000024321375 567882522 /nfs/dbraw/zinc/88/25/22/567882522.db2.gz VILYHLBCXJNBJN-UHFFFAOYSA-N 1 0 291.398 3.626 50 0 CHAARO Cc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)o1 ZINC000028925563 567883816 /nfs/dbraw/zinc/88/38/16/567883816.db2.gz TZQNBPKFAINPPB-ZDUSSCGKSA-N 1 0 298.386 3.787 50 0 CHAARO c1cn(CCC[NH2+]C2CCC(c3ccccc3)CC2)cn1 ZINC000002498882 567884386 /nfs/dbraw/zinc/88/43/86/567884386.db2.gz DVEUYPRCISUJOR-UHFFFAOYSA-N 1 0 283.419 3.589 50 0 CHAARO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccccc2)cc1 ZINC000004989247 567884524 /nfs/dbraw/zinc/88/45/24/567884524.db2.gz MWKXGEKGFMPIAJ-MRXNPFEDSA-N 1 0 283.415 3.849 50 0 CHAARO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000000486026 567887623 /nfs/dbraw/zinc/88/76/23/567887623.db2.gz CZSIMASWFULERI-KRWDZBQOSA-N 1 0 252.361 3.809 50 0 biogenic CHAARO C[C@@H](C[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000000757443 567887734 /nfs/dbraw/zinc/88/77/34/567887734.db2.gz CPVJFTNVBNYKLO-INIZCTEOSA-N 1 0 298.405 3.751 50 0 CHAARO O[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000023280075 567887970 /nfs/dbraw/zinc/88/79/70/567887970.db2.gz CLTYSGARAHLXKA-CQSZACIVSA-N 1 0 291.778 3.557 50 0 CHAARO COc1ccc(C[N@H+](C)Cc2ccccc2)c(C)c1C ZINC000004988864 567888416 /nfs/dbraw/zinc/88/84/16/567888416.db2.gz BTXMHMKUMLIROM-UHFFFAOYSA-N 1 0 269.388 3.944 50 0 CHAARO C[NH2+]Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC000034656736 567888703 /nfs/dbraw/zinc/88/87/03/567888703.db2.gz LUUNCKNVGWKICE-UHFFFAOYSA-N 1 0 269.388 3.910 50 0 CHAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1Br ZINC000042419225 567891768 /nfs/dbraw/zinc/89/17/68/567891768.db2.gz WDTWUBOMMXEIHP-QWRGUYRKSA-N 1 0 270.214 3.973 50 0 CHAARO CC[C@@H](C)c1cc(Cl)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042775391 567891843 /nfs/dbraw/zinc/89/18/43/567891843.db2.gz GHPIVTYDLTZREQ-YPMHNXCESA-N 1 0 267.800 3.984 50 0 CHAARO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000055224941 567894226 /nfs/dbraw/zinc/89/42/26/567894226.db2.gz KNKRSDHBHHZXPF-AWEZNQCLSA-N 1 0 258.365 3.721 50 0 CHAARO CCCC[N@H+](Cc1ccco1)Cc1cccc2c1OCO2 ZINC000055212100 567894231 /nfs/dbraw/zinc/89/42/31/567894231.db2.gz HKTLQTKIDSPVBH-UHFFFAOYSA-N 1 0 287.359 3.811 50 0 CHAARO Cc1c2nc(NCCC[NH+](C)C)sc2ccc1Cl ZINC000056900942 567894394 /nfs/dbraw/zinc/89/43/94/567894394.db2.gz DLIBJXKCLWNZLK-UHFFFAOYSA-N 1 0 283.828 3.622 50 0 CHAARO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000095420805 567894558 /nfs/dbraw/zinc/89/45/58/567894558.db2.gz DZACUUNWAHCIER-OLZOCXBDSA-N 1 0 283.375 3.887 50 0 CHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2sccc2C)on1 ZINC000064666875 567897817 /nfs/dbraw/zinc/89/78/17/567897817.db2.gz KXQBJZGNTUPSGW-GFCCVEGCSA-N 1 0 262.378 3.690 50 0 CHAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)on1 ZINC000064667044 567897886 /nfs/dbraw/zinc/89/78/86/567897886.db2.gz XHMDTKHNMRCSAE-MRXNPFEDSA-N 1 0 286.375 3.583 50 0 CHAARO CCc1cc([C@@H]2CCCN2Cc2cccc(F)c2)on1 ZINC000064666933 567897891 /nfs/dbraw/zinc/89/78/91/567897891.db2.gz AANPRJABWHDJKJ-HNNXBMFYSA-N 1 0 274.339 3.713 50 0 CHAARO C[C@@H](c1cccc(-c2cc(O)c(F)c(F)c2)c1)[NH+](C)C ZINC000065383356 567898395 /nfs/dbraw/zinc/89/83/95/567898395.db2.gz AABVPIYNVBURSL-JTQLQIEISA-N 1 0 277.314 3.960 50 0 CHAARO CC(C)(C)c1ccc2oc(C[NH2+][C@H]3CCSC3)nc2c1 ZINC000065371294 567898673 /nfs/dbraw/zinc/89/86/73/567898673.db2.gz PMIHXAIZXMUEBV-LBPRGKRZSA-N 1 0 290.432 3.720 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000065369852 567898698 /nfs/dbraw/zinc/89/86/98/567898698.db2.gz HFQWSPCKXVZCES-ABDJAZHISA-N 1 0 268.360 3.915 50 0 CHAARO C[C@@H](c1ccc(-c2cnc3ccccc3n2)cc1)[NH+](C)C ZINC000065406192 567899146 /nfs/dbraw/zinc/89/91/46/567899146.db2.gz JWUCVQIGGJUVOO-ZDUSSCGKSA-N 1 0 277.371 3.919 50 0 CHAARO COc1nccnc1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000065489725 567899444 /nfs/dbraw/zinc/89/94/44/567899444.db2.gz DTVUQVLKOBWZKQ-AWEZNQCLSA-N 1 0 297.402 3.699 50 0 CHAARO Cc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c[nH]1 ZINC000065488676 567899546 /nfs/dbraw/zinc/89/95/46/567899546.db2.gz IKUBSQQMHHUEJX-ZDUSSCGKSA-N 1 0 269.392 3.932 50 0 CHAARO CC(C)Oc1ccccc1-c1ccc2c(c1)C[NH2+]CC2 ZINC000067589084 567900184 /nfs/dbraw/zinc/90/01/84/567900184.db2.gz GENKNXKPENZTIY-UHFFFAOYSA-N 1 0 267.372 3.787 50 0 CHAARO Cc1ccc2[nH]c(C[NH2+][C@@H](C)Cc3cccs3)nc2c1C ZINC000067920150 567900941 /nfs/dbraw/zinc/90/09/41/567900941.db2.gz VJDBMFQARLWHFS-LBPRGKRZSA-N 1 0 299.443 3.962 50 0 CHAARO Cc1csc(Cn2ccnc2[C@@H](C)c2ccccc2)n1 ZINC000071753551 567901705 /nfs/dbraw/zinc/90/17/05/567901705.db2.gz QOIBSEHTOGYIRZ-ZDUSSCGKSA-N 1 0 283.400 3.848 50 0 CHAARO COC[C@H](C)C[N@H+](C)Cc1csc2ccccc12 ZINC000178030189 567903184 /nfs/dbraw/zinc/90/31/84/567903184.db2.gz RSFQRLXZHDCGTJ-GFCCVEGCSA-N 1 0 263.406 3.616 50 0 CHAARO CCO[C@@H](C)c1nc(CN(C)c2cccc(C)n2)cs1 ZINC000097096470 567904161 /nfs/dbraw/zinc/90/41/61/567904161.db2.gz ZNAJHVHXUFYMKK-LBPRGKRZSA-N 1 0 291.420 3.580 50 0 CHAARO C=C(c1cccs1)c1ccc2ccccc2[n+]1C ZINC000075402880 567904207 /nfs/dbraw/zinc/90/42/07/567904207.db2.gz PMUZUNINTXGKIJ-UHFFFAOYSA-N 1 0 252.362 3.787 50 0 CHAARO Cc1c(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)C)cnn1C ZINC000097229844 567905906 /nfs/dbraw/zinc/90/59/06/567905906.db2.gz LMGDSDNQQBFZHQ-GOSISDBHSA-N 1 0 297.402 3.962 50 0 CHAARO c1cc(-c2ccc3c(c2)OCCO3)ccc1C[NH+]1CCCC1 ZINC000096151319 567909944 /nfs/dbraw/zinc/90/99/44/567909944.db2.gz SBRCTSRXCUDNCV-UHFFFAOYSA-N 1 0 295.382 3.721 50 0 CHAARO CCC(C[NH2+]Cc1ccccc1)C[NH2+]Cc1ccccc1 ZINC000096319133 567910104 /nfs/dbraw/zinc/91/01/04/567910104.db2.gz LBPUDTOJZROMLF-UHFFFAOYSA-N 1 0 282.431 3.592 50 0 CHAARO Cc1ccc([C@@H](C)CC[N@H+](C)CCc2ccncc2)o1 ZINC000097495113 567910500 /nfs/dbraw/zinc/91/05/00/567910500.db2.gz UKSKTHUUFGISAO-AWEZNQCLSA-N 1 0 272.392 3.651 50 0 CHAARO COc1ccc(C)cc1-c1ccc(C[NH+]2CCCC2)cn1 ZINC000097679767 567911022 /nfs/dbraw/zinc/91/10/22/567911022.db2.gz NEVFWXCUIWBRJK-UHFFFAOYSA-N 1 0 282.387 3.661 50 0 CHAARO Cc1cccc([C@@H]([NH2+]Cc2ncc[nH]2)C(C)(C)C)c1 ZINC000178614405 567926893 /nfs/dbraw/zinc/92/68/93/567926893.db2.gz IDLKYGRZFJRJHY-OAHLLOKOSA-N 1 0 257.381 3.595 50 0 CHAARO C[C@H](CC[NH2+]C1c2ccccc2-c2ccccc21)[S@@](C)=O ZINC000166254323 567927364 /nfs/dbraw/zinc/92/73/64/567927364.db2.gz NFCZDHZGDPELJN-ASSNKEHSSA-N 1 0 299.439 3.503 50 0 CHAARO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cc2c(s1)CCC2 ZINC000166286487 567927690 /nfs/dbraw/zinc/92/76/90/567927690.db2.gz COGVIGNXRLVBQL-OBJOEFQTSA-N 1 0 290.476 3.513 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000248259766 567928951 /nfs/dbraw/zinc/92/89/51/567928951.db2.gz QANRNMUWCPZKAL-RLCCDNCMSA-N 1 0 270.376 3.573 50 0 CHAARO C[C@@H](CCc1ccccc1)[NH2+]CCc1ccccc1 ZINC000013718407 567942213 /nfs/dbraw/zinc/94/22/13/567942213.db2.gz WVNDASDBEDZRQL-INIZCTEOSA-N 1 0 253.389 3.840 50 0 CHAARO Clc1ccc([C@@H]([NH2+]C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000049900035 567946815 /nfs/dbraw/zinc/94/68/15/567946815.db2.gz VBUGGBZITDYIBV-HOTGVXAUSA-N 1 0 279.811 3.950 50 0 CHAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000215924191 567947319 /nfs/dbraw/zinc/94/73/19/567947319.db2.gz VKIFRHJNCNERMG-ZBFHGGJFSA-N 1 0 273.424 3.508 50 0 CHAARO CCc1nccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000216389333 567947489 /nfs/dbraw/zinc/94/74/89/567947489.db2.gz HDXRHIBMXGZNRA-KRWDZBQOSA-N 1 0 295.430 3.809 50 0 CHAARO Oc1cccc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)c1 ZINC000216181032 567947541 /nfs/dbraw/zinc/94/75/41/567947541.db2.gz ONEYDGPWAGJMIR-GOSISDBHSA-N 1 0 296.414 3.775 50 0 CHAARO c1cc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)cs1 ZINC000216205834 567947612 /nfs/dbraw/zinc/94/76/12/567947612.db2.gz NLXAEOONDFVCAQ-OAHLLOKOSA-N 1 0 258.390 3.870 50 0 CHAARO CCc1nccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000216389391 567947726 /nfs/dbraw/zinc/94/77/26/567947726.db2.gz HDXRHIBMXGZNRA-QGZVFWFLSA-N 1 0 295.430 3.809 50 0 CHAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccccc1 ZINC000000819073 567948405 /nfs/dbraw/zinc/94/84/05/567948405.db2.gz VUCSBDVPNNHFCV-UHFFFAOYSA-N 1 0 263.344 3.699 50 0 CHAARO OC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCCC12CCCCC2 ZINC000225352143 567953030 /nfs/dbraw/zinc/95/30/30/567953030.db2.gz ANHCAFIQECEFDU-ARFHVFGLSA-N 1 0 265.441 3.630 50 0 CHAARO CCC[C@@H](O)C[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225392781 567953265 /nfs/dbraw/zinc/95/32/65/567953265.db2.gz KLBYEFQGHMBIJS-CYBMUJFWSA-N 1 0 291.366 3.645 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CCO[C@H]2C)o1 ZINC000225526753 567953907 /nfs/dbraw/zinc/95/39/07/567953907.db2.gz LMKYQIPQPORYNZ-BLLLJJGKSA-N 1 0 289.350 3.661 50 0 CHAARO CC(C)(CO)[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000225636666 567954242 /nfs/dbraw/zinc/95/42/42/567954242.db2.gz QPAFHUKNSBRVDX-HNNXBMFYSA-N 1 0 275.417 3.598 50 0 CHAARO CC[C@H]([NH2+]Cc1ccc(C)cn1)c1ccccc1OC ZINC000095416622 570239593 /nfs/dbraw/zinc/23/95/93/570239593.db2.gz OYUGZESLZVSLQO-INIZCTEOSA-N 1 0 270.376 3.640 50 0 CHAARO CCC[C@@H](C)[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055358257 570242818 /nfs/dbraw/zinc/24/28/18/570242818.db2.gz FRYUICRXKXBPIP-CQSZACIVSA-N 1 0 269.392 3.730 50 0 CHAARO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)C1=CCCCC1 ZINC000067446880 570246313 /nfs/dbraw/zinc/24/63/13/570246313.db2.gz RFQIEKYFSRHAEV-INIZCTEOSA-N 1 0 299.462 3.525 50 0 CHAARO COC[C@@H]1CC[N@H+](Cc2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000215423832 570302766 /nfs/dbraw/zinc/30/27/66/570302766.db2.gz INGUVOILEFOGRI-GFCCVEGCSA-N 1 0 292.810 3.598 50 0 CHAARO COCC[C@H]1CCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000215440767 570302961 /nfs/dbraw/zinc/30/29/61/570302961.db2.gz BIXDROWBUOYHPA-MRXNPFEDSA-N 1 0 272.392 3.559 50 0 CHAARO COC[C@H]1CC[N@H+](Cc2oc3ccc(C)cc3c2C)C1 ZINC000215695663 570303670 /nfs/dbraw/zinc/30/36/70/570303670.db2.gz RKCOGEIVCAASDP-AWEZNQCLSA-N 1 0 273.376 3.518 50 0 CHAARO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2cccs2)o1 ZINC000221691554 570311484 /nfs/dbraw/zinc/31/14/84/570311484.db2.gz JHFUIFVJLHGYIY-WCFLWFBJSA-N 1 0 279.405 3.812 50 0 CHAARO CS[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000685939694 570318302 /nfs/dbraw/zinc/31/83/02/570318302.db2.gz WSOISFYZZFTNCM-WCFLWFBJSA-N 1 0 282.478 3.703 50 0 CHAARO Cc1ncccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000334435028 570328077 /nfs/dbraw/zinc/32/80/77/570328077.db2.gz YUPCQDFNDOALNZ-GFCCVEGCSA-N 1 0 272.314 3.553 50 0 CHAARO CC(C)Cn1cc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)cn1 ZINC000190961871 570352802 /nfs/dbraw/zinc/35/28/02/570352802.db2.gz ISQFHBMCRJDFAO-QAPCUYQASA-N 1 0 298.434 3.517 50 0 CHAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1ccsc1 ZINC000075584144 570356412 /nfs/dbraw/zinc/35/64/12/570356412.db2.gz VUNVNEGLMMDNCT-CQSZACIVSA-N 1 0 289.448 3.867 50 0 CHAARO CCc1cnc(CC[NH2+][C@@H](C)C2CCCCC2)s1 ZINC000170019695 570362226 /nfs/dbraw/zinc/36/22/26/570362226.db2.gz CRPAPHFEZQDNAV-LBPRGKRZSA-N 1 0 266.454 3.806 50 0 CHAARO CC[C@H](C)[N@@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000005686599 570380119 /nfs/dbraw/zinc/38/01/19/570380119.db2.gz SFUWCNMJJPKLAD-HOTGVXAUSA-N 1 0 288.435 3.813 50 0 CHAARO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](C)C3)o2)cc1 ZINC000041362704 570403643 /nfs/dbraw/zinc/40/36/43/570403643.db2.gz IKLSHRACBSYAMG-ZDUSSCGKSA-N 1 0 286.375 3.582 50 0 CHAARO CCC[N@H+](CCc1ccccc1)Cc1cc(C(C)=O)cn1C ZINC000952979916 614583427 /nfs/dbraw/zinc/58/34/27/614583427.db2.gz BCSUBOIYGBGMDJ-UHFFFAOYSA-N 1 0 298.430 3.682 50 0 CHAARO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000084257741 1126807478 /nfs/dbraw/zinc/80/74/78/1126807478.db2.gz LNNPJIYSOMRKNJ-RXBGNRNISA-N 1 0 295.430 3.762 50 0 CHAARO Cc1nnc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)o1 ZINC000084291502 1126809264 /nfs/dbraw/zinc/80/92/64/1126809264.db2.gz WAJRVYGAQVJWKO-FMQWLBJXSA-N 1 0 297.402 3.836 50 0 CHAARO O[C@]1(c2ccccc2)CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000003080590 1118110161 /nfs/dbraw/zinc/11/01/61/1118110161.db2.gz QMHZMMJDSLLMCF-VQTJNVASSA-N 1 0 295.426 3.649 50 0 CHAARO CC(C)[NH2+]Cc1cc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000050479188 1118502289 /nfs/dbraw/zinc/50/22/89/1118502289.db2.gz ZOHVMVSTZTUVJT-UHFFFAOYSA-N 1 0 283.297 3.594 50 0 CHAARO CCCC[NH2+]CCCCCOc1cccc(OC)c1 ZINC000002898073 1119149909 /nfs/dbraw/zinc/14/99/09/1119149909.db2.gz KXTZXIWPMLDECT-UHFFFAOYSA-N 1 0 265.397 3.634 50 0 CHAARO Cc1ccc(C)c(OCCCCCC[NH+]2CCOCC2)c1 ZINC000023283618 1119777145 /nfs/dbraw/zinc/77/71/45/1119777145.db2.gz TWBCXXXHWHUKRI-UHFFFAOYSA-N 1 0 291.435 3.575 50 0 CHAARO CCCCc1oc2ccccc2c1C[NH+]1CCC(O)CC1 ZINC000162245789 1119780628 /nfs/dbraw/zinc/78/06/28/1119780628.db2.gz WMCOCSDFZQXPNV-UHFFFAOYSA-N 1 0 287.403 3.732 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccoc1 ZINC000181344680 1128870928 /nfs/dbraw/zinc/87/09/28/1128870928.db2.gz ONCJHKOEGFZLCJ-GFCCVEGCSA-N 1 0 274.364 3.703 50 0 CHAARO Cc1ccccc1NC(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023581900 1119934436 /nfs/dbraw/zinc/93/44/36/1119934436.db2.gz RYPCQZSUXBIJFZ-ZDUSSCGKSA-N 1 0 286.400 3.733 50 0 CHAARO Cc1cc(C)n(CCC[N@@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000020206524 1120196379 /nfs/dbraw/zinc/19/63/79/1120196379.db2.gz QAKZNOWAIXHPDB-IBGZPJMESA-N 1 0 297.446 3.770 50 0 CHAARO CNc1ccccc1C[NH2+]C(C)(C)c1ccccc1 ZINC000585137128 1120532450 /nfs/dbraw/zinc/53/24/50/1120532450.db2.gz JQQJRXZAZMRCLL-UHFFFAOYSA-N 1 0 254.377 3.753 50 0 CHAARO CC1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000230555500 1121224461 /nfs/dbraw/zinc/22/44/61/1121224461.db2.gz ICCYYDBLVFHSJF-UHFFFAOYSA-N 1 0 298.224 3.560 50 0 CHAARO C[C@H](c1cccc(-c2cnc3cccnn32)c1)[NH+]1CCCC1 ZINC000426668228 1121378021 /nfs/dbraw/zinc/37/80/21/1121378021.db2.gz FAXBBTSGRGSENZ-CQSZACIVSA-N 1 0 292.386 3.553 50 0 CHAARO Cc1ccc(OCCC[N@@H+](C)Cc2ncccc2C)c(C)c1 ZINC000244673984 1121470064 /nfs/dbraw/zinc/47/00/64/1121470064.db2.gz HZGCVXCFCKLVNX-UHFFFAOYSA-N 1 0 298.430 3.908 50 0 CHAARO Cc1nc[nH]c1C[N@@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000252483623 1121653559 /nfs/dbraw/zinc/65/35/59/1121653559.db2.gz FGBRZNVOELCIQZ-QGZVFWFLSA-N 1 0 287.382 3.975 50 0 CHAARO CC(C)Cc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)s1 ZINC000821459966 1121926018 /nfs/dbraw/zinc/92/60/18/1121926018.db2.gz SPKKVZWHMAPHLH-HNNXBMFYSA-N 1 0 292.492 3.617 50 0 CHAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC000003583645 1122672932 /nfs/dbraw/zinc/67/29/32/1122672932.db2.gz PPDZGUSTWMPKCN-AWEZNQCLSA-N 1 0 282.387 3.653 50 0 CHAARO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@]2(C1)CCCOC2 ZINC000585082611 1131269124 /nfs/dbraw/zinc/26/91/24/1131269124.db2.gz QLDWXFKBLGQVFG-IBGZPJMESA-N 1 0 296.414 3.859 50 0 CHAARO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720035 1125306458 /nfs/dbraw/zinc/30/64/58/1125306458.db2.gz HULAMQHRSAXYQB-DOTOQJQBSA-N 1 0 294.398 3.503 50 0 CHAARO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1 ZINC000215022308 1125425349 /nfs/dbraw/zinc/42/53/49/1125425349.db2.gz YYQCAAMLAIGWCT-QGZVFWFLSA-N 1 0 299.414 3.930 50 0 CHAARO CCOC(=O)CCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000095468493 1129477582 /nfs/dbraw/zinc/47/75/82/1129477582.db2.gz SMNGSEFKXHXZFE-UJGDBWEASA-N 1 0 287.403 3.508 50 0 CHAARO C[C@@H](CCc1ccc(O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000000227337 1129737911 /nfs/dbraw/zinc/73/79/11/1129737911.db2.gz YUFAIZYZYYQMKL-HNNXBMFYSA-N 1 0 281.399 3.772 50 0 CHAARO Clc1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000114909377 1129841151 /nfs/dbraw/zinc/84/11/51/1129841151.db2.gz QPTVIKKHXRUDKR-OAHLLOKOSA-N 1 0 286.806 3.709 50 0 CHAARO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000019761424 1129846817 /nfs/dbraw/zinc/84/68/17/1129846817.db2.gz AQLJPIVUCCPIHH-SJORKVTESA-N 1 0 294.483 3.606 50 0 CHAARO CC[C@@H](C)CC[NH2+]Cc1cc(F)ccc1-n1cccn1 ZINC000952861191 1132015299 /nfs/dbraw/zinc/01/52/99/1132015299.db2.gz DPQNVIHEHHTDFX-CYBMUJFWSA-N 1 0 275.371 3.537 50 0 CHAARO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000007786528 230370136 /nfs/dbraw/zinc/37/01/36/230370136.db2.gz QSJZFXCGXPWODI-UHFFFAOYSA-N 1 0 274.408 3.506 50 0 CHAARO Cc1ccc([C@H](C[NH2+][C@@H]2CCCC2(C)C)N2CCCC2)o1 ZINC000097016747 230386303 /nfs/dbraw/zinc/38/63/03/230386303.db2.gz BZCOWCNZDBKBIR-DOTOQJQBSA-N 1 0 290.451 3.893 50 0 CHAARO C[NH+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000095918034 185031259 /nfs/dbraw/zinc/03/12/59/185031259.db2.gz HQGXTZKYVCVNDU-UHFFFAOYSA-N 1 0 264.372 3.751 50 0 CHAARO CC(C)C[C@H](C)[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000095967815 185046651 /nfs/dbraw/zinc/04/66/51/185046651.db2.gz MUSZUQKNINJFBV-INIZCTEOSA-N 1 0 289.467 3.986 50 0 CHAARO Cc1cnc(CC[NH2+][C@H](C)CSC(C)(C)C)s1 ZINC000095968536 185047460 /nfs/dbraw/zinc/04/74/60/185047460.db2.gz DUSPYZFAUPMZNQ-SNVBAGLBSA-N 1 0 272.483 3.504 50 0 CHAARO COc1ccc([C@@H](C)[NH2+]Cc2sc(C)nc2C)c(F)c1 ZINC000095968556 185048142 /nfs/dbraw/zinc/04/81/42/185048142.db2.gz UOUUWZFFKDKRBH-SECBINFHSA-N 1 0 294.395 3.758 50 0 CHAARO COc1ccccc1[C@@H](CC(C)C)[NH2+]C1CCOCC1 ZINC000095968814 185048217 /nfs/dbraw/zinc/04/82/17/185048217.db2.gz JGWAKCAPKNBOAA-MRXNPFEDSA-N 1 0 277.408 3.551 50 0 CHAARO CCCOc1ccc(CNc2cc(C[NH+](C)C)ccn2)cc1 ZINC000095972337 185049426 /nfs/dbraw/zinc/04/94/26/185049426.db2.gz WQJBSTKFKSWGCJ-UHFFFAOYSA-N 1 0 299.418 3.544 50 0 CHAARO Cc1cc(F)cc(-c2cccc3c(N)cc[nH+]c32)c1 ZINC000096138675 185105761 /nfs/dbraw/zinc/10/57/61/185105761.db2.gz CONDIHUJNBADNE-UHFFFAOYSA-N 1 0 252.292 3.932 50 0 CHAARO CCOc1ccc(C[NH2+]C(CC)CC)cc1OCC ZINC000096969880 185143975 /nfs/dbraw/zinc/14/39/75/185143975.db2.gz RJGNGOSJVLCQHD-UHFFFAOYSA-N 1 0 265.397 3.762 50 0 CHAARO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2)C12CCCC2 ZINC000085679960 179113424 /nfs/dbraw/zinc/11/34/24/179113424.db2.gz OBCFGXJHXMMKAL-DLBZAZTESA-N 1 0 289.419 3.523 50 0 CHAARO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1 ZINC000181913232 189309884 /nfs/dbraw/zinc/30/98/84/189309884.db2.gz SSWOCXZSOOJGAJ-LBPRGKRZSA-N 1 0 260.381 3.628 50 0 CHAARO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1ccccc1 ZINC000521398160 256853589 /nfs/dbraw/zinc/85/35/89/256853589.db2.gz PDFNVSQFTQBRNC-KRWDZBQOSA-N 1 0 281.399 3.905 50 0 CHAARO CC1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000182015 134521631 /nfs/dbraw/zinc/52/16/31/134521631.db2.gz VHVRDVRPYVILBG-UHFFFAOYSA-N 1 0 276.399 3.526 50 0 CHAARO CC(C)Oc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1 ZINC000002111107 169774835 /nfs/dbraw/zinc/77/48/35/169774835.db2.gz PHZSWIQAUOSQOI-INIZCTEOSA-N 1 0 291.435 3.769 50 0 biogenic CHAARO COc1cccc(OCCCC[NH2+]CCc2ccccc2)c1 ZINC000002825226 169835192 /nfs/dbraw/zinc/83/51/92/169835192.db2.gz USUQOQWPCWDKIX-UHFFFAOYSA-N 1 0 299.414 3.687 50 0 CHAARO CC[C@H](C)c1ccccc1OCCC[NH2+]CCCOC ZINC000003002014 169849069 /nfs/dbraw/zinc/84/90/69/169849069.db2.gz DHSLGNDYQVIOTL-HNNXBMFYSA-N 1 0 279.424 3.595 50 0 CHAARO C[n+]1c(/C=C/c2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000003905688 169923269 /nfs/dbraw/zinc/92/32/69/169923269.db2.gz GRMAEIFGYNRRLN-RMKNXTFCSA-N 1 0 290.342 3.563 50 0 CHAARO C[NH2+]CCO[C@@]1(c2ccccc2C)CCCC[C@H]1C ZINC000004655646 169993798 /nfs/dbraw/zinc/99/37/98/169993798.db2.gz PGWSTYAZLHDNFQ-WBVHZDCISA-N 1 0 261.409 3.636 50 0 CHAARO CCC(CC)[NH2+]Cc1cc(Br)ccc1OC ZINC000004685542 169998538 /nfs/dbraw/zinc/99/85/38/169998538.db2.gz SAWSWYRJPRTOIR-UHFFFAOYSA-N 1 0 286.213 3.736 50 0 CHAARO COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](C)C3)on2)cc1 ZINC000004776603 170015428 /nfs/dbraw/zinc/01/54/28/170015428.db2.gz CFGZHDKSMHPDJF-ZDUSSCGKSA-N 1 0 286.375 3.582 50 0 CHAARO C[C@H](C[NH2+]C[C@H]1CCCO1)COc1cccc2ccccc21 ZINC000004811914 170021611 /nfs/dbraw/zinc/02/16/11/170021611.db2.gz VOHCIXMVPQJCBT-NVXWUHKLSA-N 1 0 299.414 3.623 50 0 CHAARO Cc1cc[n+](C(c2ccccc2)c2ccccc2)cc1 ZINC000004822908 170023716 /nfs/dbraw/zinc/02/37/16/170023716.db2.gz UJMQIKRFINIULQ-UHFFFAOYSA-N 1 0 260.360 3.920 50 0 CHAARO CCc1[nH+]n(CC)c2cccc3c(OC)ccc1c32 ZINC000004828901 170024978 /nfs/dbraw/zinc/02/49/78/170024978.db2.gz HGZGVIMJNNLGTL-UHFFFAOYSA-N 1 0 254.333 3.780 50 0 CHAARO Cc1cc(Br)ccc1OCC[NH+]1CCCCC1 ZINC000004845274 170029662 /nfs/dbraw/zinc/02/96/62/170029662.db2.gz DZCSTVJISZHBOP-UHFFFAOYSA-N 1 0 298.224 3.622 50 0 CHAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004871447 170034976 /nfs/dbraw/zinc/03/49/76/170034976.db2.gz GCGMLBYPUYKAJU-OKILXGFUSA-N 1 0 298.430 3.945 50 0 CHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000004977475 170047942 /nfs/dbraw/zinc/04/79/42/170047942.db2.gz ZFCMHXQDHOCIMW-SFHVURJKSA-N 1 0 297.398 3.615 50 0 CHAARO c1ccc(COc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000004987016 170049407 /nfs/dbraw/zinc/04/94/07/170049407.db2.gz GPTYMYCDWQKBSY-UHFFFAOYSA-N 1 0 299.439 3.814 50 0 CHAARO c1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc2c1OCO2 ZINC000004989016 170049909 /nfs/dbraw/zinc/04/99/09/170049909.db2.gz FBTJXUABPIYEHS-GJZGRUSLSA-N 1 0 273.376 3.570 50 0 CHAARO COc1ccc(CC[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000004989315 170050280 /nfs/dbraw/zinc/05/02/80/170050280.db2.gz VFISIZGLIAYTMM-INIZCTEOSA-N 1 0 283.415 3.849 50 0 CHAARO C[NH2+]CCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000004999765 170052546 /nfs/dbraw/zinc/05/25/46/170052546.db2.gz RJAIBHYZNVXEFI-UHFFFAOYSA-N 1 0 292.810 3.608 50 0 CHAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCO1 ZINC000005019257 170056687 /nfs/dbraw/zinc/05/66/87/170056687.db2.gz DBCSHZOYTICMCR-HNNXBMFYSA-N 1 0 285.387 3.507 50 0 CHAARO C[n+]1c(/C=C/c2ccc(F)cc2)ccc2ccccc21 ZINC000005211952 170076776 /nfs/dbraw/zinc/07/67/76/170076776.db2.gz JIQUVNFLHUAJFM-XYOKQWHBSA-N 1 0 264.323 3.974 50 0 CHAARO CC(C)n1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000005235832 170078537 /nfs/dbraw/zinc/07/85/37/170078537.db2.gz JSFLXMMTYOTBOO-UHFFFAOYSA-N 1 0 257.381 3.603 50 0 CHAARO COc1ccc(OC)c(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000005720314 170132822 /nfs/dbraw/zinc/13/28/22/170132822.db2.gz XCBDQSXGQDEWGH-GOSISDBHSA-N 1 0 297.398 3.871 50 0 CHAARO Clc1ccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000006584824 170216374 /nfs/dbraw/zinc/21/63/74/170216374.db2.gz XIOLXLZPIDJCEY-STQMWFEESA-N 1 0 280.824 3.844 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000006730760 170235084 /nfs/dbraw/zinc/23/50/84/170235084.db2.gz JYCLAIHWADDGSC-GASCZTMLSA-N 1 0 296.414 3.756 50 0 CHAARO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCCCCCC1 ZINC000006839949 170248204 /nfs/dbraw/zinc/24/82/04/170248204.db2.gz QAJOFIQPRKQECE-UHFFFAOYSA-N 1 0 294.826 3.853 50 0 CHAARO Cc1cc(C(C)(C)C)cc(C)c1CSC(N)=[NH2+] ZINC000007715652 170298964 /nfs/dbraw/zinc/29/89/64/170298964.db2.gz ISCUEMHMVFELKM-UHFFFAOYSA-N 1 0 250.411 3.728 50 0 CHAARO C[N@H+](CC(=O)Nc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000008126538 170320223 /nfs/dbraw/zinc/32/02/23/170320223.db2.gz GKVXONUENRJLRG-GOSISDBHSA-N 1 0 294.398 3.635 50 0 CHAARO COc1ccc2ccccc2c1C[NH2+]C1CCCC1 ZINC000008210220 170324693 /nfs/dbraw/zinc/32/46/93/170324693.db2.gz CCCYAJFXIRKIRB-UHFFFAOYSA-N 1 0 255.361 3.881 50 0 CHAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C)CC1 ZINC000008470879 170337062 /nfs/dbraw/zinc/33/70/62/170337062.db2.gz GRAMBRXYCUJNBK-HNNXBMFYSA-N 1 0 296.414 3.899 50 0 CHAARO Cc1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008700835 170346738 /nfs/dbraw/zinc/34/67/38/170346738.db2.gz FCERUZDINCMNOW-ZDUSSCGKSA-N 1 0 284.403 3.932 50 0 CHAARO CCc1ccc2[nH]c(C)c(C[NH+](CC)CC)c(=O)c2c1 ZINC000008714140 170348418 /nfs/dbraw/zinc/34/84/18/170348418.db2.gz YJCBOLNQTLYHTO-UHFFFAOYSA-N 1 0 272.392 3.653 50 0 CHAARO Brc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000008728595 170350273 /nfs/dbraw/zinc/35/02/73/170350273.db2.gz ZUOQUIPSRQBYQL-UHFFFAOYSA-N 1 0 268.198 3.871 50 0 CHAARO Cc1cccc2c(=O)c(C[N@H+]3CCC[C@H](C)C3)c(C)[nH]c12 ZINC000008911507 170358990 /nfs/dbraw/zinc/35/89/90/170358990.db2.gz TXRBYAROTFFCQP-LBPRGKRZSA-N 1 0 284.403 3.789 50 0 CHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccsc2)c1 ZINC000020187526 171052045 /nfs/dbraw/zinc/05/20/45/171052045.db2.gz BCYBOTKXVAJPCF-NSHDSACASA-N 1 0 274.389 3.557 50 0 CHAARO CCc1noc([C@H](C)[NH2+][C@H](C)Cc2ccc(Cl)cc2)n1 ZINC000020598758 171266216 /nfs/dbraw/zinc/26/62/16/171266216.db2.gz DFIUWZSFFNEWFE-MNOVXSKESA-N 1 0 293.798 3.567 50 0 CHAARO CCc1noc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(Cl)cc2)n1 ZINC000020598755 171266301 /nfs/dbraw/zinc/26/63/01/171266301.db2.gz DFIUWZSFFNEWFE-WDEREUQCSA-N 1 0 293.798 3.567 50 0 CHAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021720686 171320652 /nfs/dbraw/zinc/32/06/52/171320652.db2.gz CGXNITULAKXWEQ-INIZCTEOSA-N 1 0 286.375 3.637 50 0 CHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000021720721 171320802 /nfs/dbraw/zinc/32/08/02/171320802.db2.gz SYBOPPSFGISSKD-OAHLLOKOSA-N 1 0 256.349 3.629 50 0 CHAARO FC(F)(F)c1cccc(-c2c[nH]c([C@H]3CCC[NH2+]3)n2)c1 ZINC000036874155 172771044 /nfs/dbraw/zinc/77/10/44/172771044.db2.gz CYKVXZCFCZOGTJ-LLVKDONJSA-N 1 0 281.281 3.520 50 0 CHAARO CCC[C@H]([NH2+]C1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000037267028 173077124 /nfs/dbraw/zinc/07/71/24/173077124.db2.gz AKFHRIIXPAGLDO-INIZCTEOSA-N 1 0 280.843 3.865 50 0 CHAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccccc1C(C)C ZINC000040461022 174270454 /nfs/dbraw/zinc/27/04/54/174270454.db2.gz UBGJKDUSHZJVLA-UHFFFAOYSA-N 1 0 262.397 3.527 50 0 CHAARO Clc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccco2)cc1 ZINC000040464599 174274213 /nfs/dbraw/zinc/27/42/13/174274213.db2.gz QWLWGDDQPPIYGS-UHFFFAOYSA-N 1 0 287.750 3.613 50 0 CHAARO CC(C)c1cc(Cl)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042775165 174873748 /nfs/dbraw/zinc/87/37/48/174873748.db2.gz XWDRXRLDRNCMNO-GFCCVEGCSA-N 1 0 253.773 3.594 50 0 CHAARO CC[C@H](C)C[N@@H+]1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000043041573 174953810 /nfs/dbraw/zinc/95/38/10/174953810.db2.gz PDKBWNGWHZWMNM-GJZGRUSLSA-N 1 0 277.456 3.834 50 0 CHAARO C[C@@H](CC(F)(F)F)[NH2+]CCCn1ccc2ccccc21 ZINC000065490643 175743276 /nfs/dbraw/zinc/74/32/76/175743276.db2.gz KCUMSQDWKIEMTP-LBPRGKRZSA-N 1 0 284.325 3.962 50 0 CHAARO Cc1cccc(-c2ccc([C@H]3[NH2+]CCc4nc[nH]c43)cc2)c1 ZINC000067818772 175794588 /nfs/dbraw/zinc/79/45/88/175794588.db2.gz ZUSAMLXLDYNPHB-GOSISDBHSA-N 1 0 289.382 3.620 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H](C)CC1CCCCC1 ZINC000071278892 176108328 /nfs/dbraw/zinc/10/83/28/176108328.db2.gz CKRINNAVOALMDM-LLVKDONJSA-N 1 0 250.386 3.740 50 0 CHAARO CSc1cccc([C@@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000071790725 176262806 /nfs/dbraw/zinc/26/28/06/176262806.db2.gz KOFHSJIHJGOATP-CQSZACIVSA-N 1 0 265.328 3.735 50 0 CHAARO CC(C)(C)OCc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000071854226 176277953 /nfs/dbraw/zinc/27/79/53/176277953.db2.gz XTPYUSHHEOHLFO-UHFFFAOYSA-N 1 0 284.403 3.687 50 0 CHAARO Cc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000072146801 176325553 /nfs/dbraw/zinc/32/55/53/176325553.db2.gz IKZJTAZWENOXMA-DOTOQJQBSA-N 1 0 259.393 3.638 50 0 CHAARO C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)[NH2+]Cc1ccco1 ZINC000072334035 176370351 /nfs/dbraw/zinc/37/03/51/176370351.db2.gz HECRTIIJPYRXOR-CPUCHLNUSA-N 1 0 289.419 3.955 50 0 CHAARO CC(C)[N@@H+]1CCC[C@@H](Cc2ccnc(Cl)c2)CC1 ZINC000072343844 176372314 /nfs/dbraw/zinc/37/23/14/176372314.db2.gz LBEJKSLNZLPGAT-CYBMUJFWSA-N 1 0 266.816 3.788 50 0 CHAARO Cc1cccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072408686 176398617 /nfs/dbraw/zinc/39/86/17/176398617.db2.gz UJUBEEHXJIZKFN-SFHVURJKSA-N 1 0 266.388 3.770 50 0 CHAARO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000309882482 262044951 /nfs/dbraw/zinc/04/49/51/262044951.db2.gz KAEJVAARGKLQPM-LSDHHAIUSA-N 1 0 269.388 3.977 50 0 CHAARO COc1ccc(C[N@H+](C)CCC[C@@H]2CCCO2)cc1Cl ZINC000215038369 262338310 /nfs/dbraw/zinc/33/83/10/262338310.db2.gz VEORVMSFDAIBIL-CQSZACIVSA-N 1 0 297.826 3.740 50 0 CHAARO C[C@H](c1ccc(-c2ccnc(CO)c2)cc1)[NH+]1CCCCC1 ZINC000534581622 328311973 /nfs/dbraw/zinc/31/19/73/328311973.db2.gz METXOJVBPNDCRA-OAHLLOKOSA-N 1 0 296.414 3.788 50 0 CHAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c(C)cn1 ZINC000534652626 328338168 /nfs/dbraw/zinc/33/81/68/328338168.db2.gz QROSCKSMEANXMS-MRXNPFEDSA-N 1 0 296.414 3.759 50 0 CHAARO Cc1cnc(C)c(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000534664243 328351445 /nfs/dbraw/zinc/35/14/45/328351445.db2.gz ITKOTWSCSJTZNE-HNNXBMFYSA-N 1 0 281.403 3.917 50 0 CHAARO C[C@H]([NH3+])Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000004959766 326813548 /nfs/dbraw/zinc/81/35/48/326813548.db2.gz GDRWQEOJSGTFNQ-AWEZNQCLSA-N 1 0 264.372 3.579 50 0 CHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000130399939 329528162 /nfs/dbraw/zinc/52/81/62/329528162.db2.gz BAVMIBQEBOCUHJ-RQJABVFESA-N 1 0 291.357 3.655 50 0 CHAARO COc1ccc(Oc2cc(C[NH2+][C@@H](C)C3CC3)ccn2)cc1 ZINC000177227706 335368747 /nfs/dbraw/zinc/36/87/47/335368747.db2.gz BYYAHMDYJGMOTR-ZDUSSCGKSA-N 1 0 298.386 3.771 50 0 CHAARO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000096479084 534118052 /nfs/dbraw/zinc/11/80/52/534118052.db2.gz GCKOMLZPWFBVLY-AAEUAGOBSA-N 1 0 290.432 3.742 50 0 CHAARO Cc1nccn1CCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000096478380 534768943 /nfs/dbraw/zinc/76/89/43/534768943.db2.gz JTSJHIIVLYZNJG-OAHLLOKOSA-N 1 0 289.448 3.700 50 0 CHAARO CC(C)[C@@]1(CC[NH2+]Cc2ccco2)CCOC(C)(C)C1 ZINC000004063455 528888725 /nfs/dbraw/zinc/88/87/25/528888725.db2.gz ZJLQNGZFFWDROY-KRWDZBQOSA-N 1 0 279.424 3.991 50 0 biogenic CHAARO CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000058790617 566844964 /nfs/dbraw/zinc/84/49/64/566844964.db2.gz ZRATXKPGBYTWGC-GFCCVEGCSA-N 1 0 260.406 3.918 50 0 CHAARO Cc1ccccc1[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000121363908 566932553 /nfs/dbraw/zinc/93/25/53/566932553.db2.gz BYABNNBBFHATSH-INIZCTEOSA-N 1 0 295.430 3.710 50 0 CHAARO [NH2+]=C(COc1cc(Cl)ccc1Cl)N1CCCCC1 ZINC000075260440 566956821 /nfs/dbraw/zinc/95/68/21/566956821.db2.gz IJBIECOUTPNIRY-UHFFFAOYSA-N 1 0 287.190 3.835 50 0 CHAARO C[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000239297308 566965598 /nfs/dbraw/zinc/96/55/98/566965598.db2.gz FAHFBUDMUKEFDS-ZWQIFLOQSA-N 1 0 281.399 3.802 50 0 CHAARO Clc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000241707080 566968250 /nfs/dbraw/zinc/96/82/50/566968250.db2.gz QMMKWROYXVSAMW-AWEZNQCLSA-N 1 0 299.245 3.664 50 0 CHAARO CCC[N@@H+]1C[C@H](C)[C@@](OC(C)=O)(c2ccccc2)C[C@H]1C ZINC000245377385 566969338 /nfs/dbraw/zinc/96/93/38/566969338.db2.gz KOICPRXXJBUEBL-HDMKZQKVSA-N 1 0 289.419 3.585 50 0 CHAARO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000066346893 566996513 /nfs/dbraw/zinc/99/65/13/566996513.db2.gz IYDGQGREERQQOM-INIZCTEOSA-N 1 0 293.769 3.645 50 0 CHAARO CC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)c1ccc(OC)cc1 ZINC000037062572 567010103 /nfs/dbraw/zinc/01/01/03/567010103.db2.gz IGLUDTWYPHTQNX-CZUORRHYSA-N 1 0 279.424 3.940 50 0 CHAARO CC[C@H]1CC[N@H+](CCCc2nc3ccccc3o2)[C@@H]1C ZINC000170599724 567012674 /nfs/dbraw/zinc/01/26/74/567012674.db2.gz MLEANKHUJMHCKQ-KGLIPLIRSA-N 1 0 272.392 3.881 50 0 CHAARO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000042145496 567015141 /nfs/dbraw/zinc/01/51/41/567015141.db2.gz NDHSCGIHGZQIJT-NWDGAFQWSA-N 1 0 291.420 3.981 50 0 CHAARO C[C@@H]([NH2+]Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000089909878 567029295 /nfs/dbraw/zinc/02/92/95/567029295.db2.gz DNXKUHVNASKMRM-OAHLLOKOSA-N 1 0 277.371 3.723 50 0 CHAARO C[C@@H]1CCC[N@H+](CCCCOc2ccccc2F)C1 ZINC000002823873 567036729 /nfs/dbraw/zinc/03/67/29/567036729.db2.gz CZLLYBPPPFWKSH-CQSZACIVSA-N 1 0 265.372 3.717 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCOc2ccccc2)C1 ZINC000002822515 567037225 /nfs/dbraw/zinc/03/72/25/567037225.db2.gz RZZGHPUMDIFXHE-HZPDHXFCSA-N 1 0 261.409 3.824 50 0 CHAARO Cc1cc(OCCCC[NH+](C)C)cc(C)c1Cl ZINC000002823398 567037399 /nfs/dbraw/zinc/03/73/99/567037399.db2.gz GKJUSZXCXHMZAY-UHFFFAOYSA-N 1 0 255.789 3.677 50 0 CHAARO CC[C@H](C)[NH2+]CCOCCOc1c(C)cc(Cl)cc1C ZINC000002822814 567037558 /nfs/dbraw/zinc/03/75/58/567037558.db2.gz NEEPJVKFFAHATP-AWEZNQCLSA-N 1 0 299.842 3.740 50 0 CHAARO CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002111109 567046821 /nfs/dbraw/zinc/04/68/21/567046821.db2.gz PHZSWIQAUOSQOI-MRXNPFEDSA-N 1 0 291.435 3.769 50 0 biogenic CHAARO Cc1cc(C)c(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(C)c1 ZINC000252514312 567062460 /nfs/dbraw/zinc/06/24/60/567062460.db2.gz CBNNSWWTCKVURO-KBAYOESNSA-N 1 0 287.447 3.857 50 0 CHAARO Cc1ccccc1-c1cncc(C[NH+]2CCCC2)c1 ZINC000037554004 567068428 /nfs/dbraw/zinc/06/84/28/567068428.db2.gz YSNDJNBZSFZPGX-UHFFFAOYSA-N 1 0 252.361 3.653 50 0 CHAARO Clc1ccc([C@@H]2C[N@@H+](C3CCSCC3)CCO2)cc1 ZINC000092901828 567091183 /nfs/dbraw/zinc/09/11/83/567091183.db2.gz PDNZQFNCEUGBOG-HNNXBMFYSA-N 1 0 297.851 3.609 50 0 CHAARO Cc1cc2oc(=O)cc(C[NH+]3CCC(C)CC3)c2cc1C ZINC000002329512 567100112 /nfs/dbraw/zinc/10/01/12/567100112.db2.gz KDRBTENOJOWZBC-UHFFFAOYSA-N 1 0 285.387 3.642 50 0 CHAARO CCCCc1ccc(NC(=O)[C@@H](CC)[NH2+]C(C)C)cc1 ZINC000328592591 567119219 /nfs/dbraw/zinc/11/92/19/567119219.db2.gz LJOYBNBZDJIGPL-MRXNPFEDSA-N 1 0 276.424 3.744 50 0 CHAARO C[NH2+]CCCCc1cnc(C)c2[nH]c3ccccc3c21 ZINC000019703392 567122089 /nfs/dbraw/zinc/12/20/89/567122089.db2.gz OMGIBPZQATWNBX-UHFFFAOYSA-N 1 0 267.376 3.567 50 0 biogenic CHAARO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CO)c2)c(C)c1 ZINC000095421978 567130738 /nfs/dbraw/zinc/13/07/38/567130738.db2.gz AMATZJLJULKYJR-HNNXBMFYSA-N 1 0 269.388 3.647 50 0 CHAARO Cc1ccc([C@H](C)[NH2+]CCCCn2ccnc2C)s1 ZINC000095423163 567131196 /nfs/dbraw/zinc/13/11/96/567131196.db2.gz GETACFBUBKZILI-ZDUSSCGKSA-N 1 0 277.437 3.692 50 0 CHAARO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3O)cn1 ZINC000095421939 567132205 /nfs/dbraw/zinc/13/22/05/567132205.db2.gz QMPXRMXNGQRQTC-MLGOLLRUSA-N 1 0 285.391 3.508 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000037898538 567136524 /nfs/dbraw/zinc/13/65/24/567136524.db2.gz YRIKOKYLMYMRBP-VIFPVBQESA-N 1 0 283.297 3.588 50 0 CHAARO Cc1cc2oc(=O)cc(C[NH+]3CCCCC3)c2cc1Cl ZINC000003322459 567168198 /nfs/dbraw/zinc/16/81/98/567168198.db2.gz LAIFBWNVSALUBU-UHFFFAOYSA-N 1 0 291.778 3.741 50 0 CHAARO C[N@H+](CC(=O)c1ccccc1Cl)C1CCCCC1 ZINC000003293110 567168657 /nfs/dbraw/zinc/16/86/57/567168657.db2.gz NGNPJHVISOVGEM-UHFFFAOYSA-N 1 0 265.784 3.787 50 0 CHAARO Cc1cc(C)c(NC(=O)C[NH+]2CCCCCCC2)c(C)c1 ZINC000003538894 567175771 /nfs/dbraw/zinc/17/57/71/567175771.db2.gz NKPNINRPEXYCPP-UHFFFAOYSA-N 1 0 288.435 3.816 50 0 CHAARO Cc1nccn1CC[C@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000670454135 567182087 /nfs/dbraw/zinc/18/20/87/567182087.db2.gz QTSRZTQBUHETGB-HNNXBMFYSA-N 1 0 283.419 3.557 50 0 CHAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[NH3+] ZINC000004073564 567185462 /nfs/dbraw/zinc/18/54/62/567185462.db2.gz WDTAJXMIXADUTH-DHKQUUGRSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO COC[C@H](C)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000670457175 567187853 /nfs/dbraw/zinc/18/78/53/567187853.db2.gz XDCGQKSJNMHCML-HNNXBMFYSA-N 1 0 298.430 3.729 50 0 CHAARO C[C@@H](C1CC1)[N@H+](C)CCc1ncc(-c2ccccc2)o1 ZINC000069971768 567203402 /nfs/dbraw/zinc/20/34/02/567203402.db2.gz QOZKNAMJAGSEBO-ZDUSSCGKSA-N 1 0 270.376 3.614 50 0 CHAARO CCCCN1C(=O)c2ccccc2[C@@H]1[NH2+]CCC(C)C ZINC000009730995 567205218 /nfs/dbraw/zinc/20/52/18/567205218.db2.gz SAHDIDPLTPXPDL-MRXNPFEDSA-N 1 0 274.408 3.577 50 0 CHAARO Cc1noc(C)c1CN(C)Cc1ccc(F)cc1Cl ZINC000042132777 567206132 /nfs/dbraw/zinc/20/61/32/567206132.db2.gz OKPXCNSSCFYHMC-UHFFFAOYSA-N 1 0 282.746 3.716 50 0 CHAARO C[C@]([NH3+])(Cc1cccc(Br)c1)c1ccccc1 ZINC000000011568 567816474 /nfs/dbraw/zinc/81/64/74/567816474.db2.gz HAUFLNPHNKNKRR-HNNXBMFYSA-N 1 0 290.204 3.866 50 0 CHAARO C[NH+](C)CC[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000000113410 567818618 /nfs/dbraw/zinc/81/86/18/567818618.db2.gz SOYKEARSMXGVTM-OAHLLOKOSA-N 1 0 274.795 3.819 50 0 fda CHAARO CC(C)(C)c1cc2cc(NC3CC[NH2+]CC3)ccc2[nH]1 ZINC000000154329 567820352 /nfs/dbraw/zinc/82/03/52/567820352.db2.gz QMXLOQJSSNSBNU-UHFFFAOYSA-N 1 0 271.408 3.629 50 0 CHAARO Cc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000000196941 567822202 /nfs/dbraw/zinc/82/22/02/567822202.db2.gz LDNGMLUUTSJXLN-KRWDZBQOSA-N 1 0 262.356 3.711 50 0 biogenic CHAARO c1ccc(-c2nnc(-c3ccccc3)n2-c2cc[nH+]cc2)cc1 ZINC000000258513 567823152 /nfs/dbraw/zinc/82/31/52/567823152.db2.gz SKLFZRLFDWOHMG-UHFFFAOYSA-N 1 0 298.349 3.996 50 0 CHAARO C[NH+](C)C[C@@H]1c2ccccc2CSc2ccccc21 ZINC000000347717 567826445 /nfs/dbraw/zinc/82/64/45/567826445.db2.gz ICVCJRXWYDUPFT-MRXNPFEDSA-N 1 0 269.413 3.986 50 0 CHAARO C[C@H]([NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001433095 567837419 /nfs/dbraw/zinc/83/74/19/567837419.db2.gz PFVWEAYXWZFSSK-YFKPBYRVSA-N 1 0 257.177 3.744 50 0 CHAARO CCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000001530814 567837586 /nfs/dbraw/zinc/83/75/86/567837586.db2.gz LEBVLXFERQHONN-MRXNPFEDSA-N 1 0 288.435 3.897 50 0 fda CHAARO O=C(/C=C/c1ccccc1)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000002126675 567844902 /nfs/dbraw/zinc/84/49/02/567844902.db2.gz ZSWODZQPBXFMTI-LLSOJIOMSA-N 1 0 299.414 3.508 50 0 CHAARO COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000002380266 567845575 /nfs/dbraw/zinc/84/55/75/567845575.db2.gz BNHZZSKSDXENCK-UHFFFAOYSA-N 1 0 280.371 3.509 50 0 CHAARO [NH3+]C[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000002386707 567845793 /nfs/dbraw/zinc/84/57/93/567845793.db2.gz LATNYXQBUMMTKW-CQSZACIVSA-N 1 0 265.278 3.796 50 0 CHAARO Cc1cc(C)c(OCC[NH2+]C(C)(C)C)c(Cl)c1 ZINC000002490276 567845898 /nfs/dbraw/zinc/84/58/98/567845898.db2.gz IFTDYCKKBCKTAL-UHFFFAOYSA-N 1 0 255.789 3.724 50 0 CHAARO Cc1ccccc1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515046 567846366 /nfs/dbraw/zinc/84/63/66/567846366.db2.gz LORWFFGGNYWDIR-UHFFFAOYSA-N 1 0 279.383 3.822 50 0 CHAARO O=C(c1cccc(F)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515560 567846760 /nfs/dbraw/zinc/84/67/60/567846760.db2.gz GCLGJLLOTWUOQO-UHFFFAOYSA-N 1 0 283.346 3.653 50 0 CHAARO O=C(c1ccc(F)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515065 567846892 /nfs/dbraw/zinc/84/68/92/567846892.db2.gz RLMPNQLXIQFBIM-UHFFFAOYSA-N 1 0 283.346 3.653 50 0 CHAARO COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1OC ZINC000002577113 567848378 /nfs/dbraw/zinc/84/83/78/567848378.db2.gz FCTFPEAPJBUBCW-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO CCC[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC1CC1 ZINC000002760754 567849280 /nfs/dbraw/zinc/84/92/80/567849280.db2.gz CBXKKLVHTYWKNU-UHFFFAOYSA-N 1 0 294.826 3.791 50 0 CHAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000002765053 567849288 /nfs/dbraw/zinc/84/92/88/567849288.db2.gz ZNGZMOAFFPQHLK-STQMWFEESA-N 1 0 294.826 3.647 50 0 CHAARO CC[C@@H](C)c1ccccc1OCCOCC[NH+](CC)CC ZINC000003001180 567850979 /nfs/dbraw/zinc/85/09/79/567850979.db2.gz OAAWKWASGYIDHA-MRXNPFEDSA-N 1 0 293.451 3.937 50 0 CHAARO C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003346492 567852444 /nfs/dbraw/zinc/85/24/44/567852444.db2.gz IQTTVGYSKDLEHF-UHFFFAOYSA-N 1 0 297.789 3.912 50 0 CHAARO COC(=O)c1ccc(C[NH2+][C@H](c2cccs2)C(C)C)o1 ZINC000035046626 567852882 /nfs/dbraw/zinc/85/28/82/567852882.db2.gz NBBXNFIEZQCPDJ-AWEZNQCLSA-N 1 0 293.388 3.615 50 0 CHAARO Fc1ccccc1N1CC[NH+](C2CCCCCC2)CC1 ZINC000003683582 567853745 /nfs/dbraw/zinc/85/37/45/567853745.db2.gz VXOFDFPEEHMDOZ-UHFFFAOYSA-N 1 0 276.399 3.671 50 0 CHAARO C[C@H]([NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000003708666 567853782 /nfs/dbraw/zinc/85/37/82/567853782.db2.gz KUWRUGPKOMAJOU-ZETCQYMHSA-N 1 0 283.194 3.592 50 0 CHAARO CCC[NH+](CCC)[C@H]1CCc2c(F)ccc(O)c2C1 ZINC000003874895 567854144 /nfs/dbraw/zinc/85/41/44/567854144.db2.gz FNKBVTBXFLSTPB-LBPRGKRZSA-N 1 0 265.372 3.511 50 0 in-vitro CHAARO COc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004240020 567856334 /nfs/dbraw/zinc/85/63/34/567856334.db2.gz MIQSIHPLVJIADK-UHFFFAOYSA-N 1 0 271.404 3.754 50 0 CHAARO CC(C)OCc1cccc(NC2CC[NH+](C(C)C)CC2)c1 ZINC000097371327 567859900 /nfs/dbraw/zinc/85/99/00/567859900.db2.gz DAXHNWUILYNFSN-UHFFFAOYSA-N 1 0 290.451 3.896 50 0 CHAARO c1ccc(-c2ccc(OC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000012137828 567862369 /nfs/dbraw/zinc/86/23/69/567862369.db2.gz MDVRKAYQQIZQKM-OAHLLOKOSA-N 1 0 267.372 3.732 50 0 CHAARO CC[C@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000012151415 567862394 /nfs/dbraw/zinc/86/23/94/567862394.db2.gz PDKBWNGWHZWMNM-LSDHHAIUSA-N 1 0 277.456 3.834 50 0 CHAARO C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012228611 567862820 /nfs/dbraw/zinc/86/28/20/567862820.db2.gz UIAPUMMNWHJDPP-NSHDSACASA-N 1 0 291.782 3.622 50 0 CHAARO C[C@@H]1CCC[C@]2(C1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000032666102 567864226 /nfs/dbraw/zinc/86/42/26/567864226.db2.gz LPEYZMKDCFQJKR-SJKOYZFVSA-N 1 0 254.377 3.719 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000013113475 567864722 /nfs/dbraw/zinc/86/47/22/567864722.db2.gz PREZGGBBSHVXGJ-OCCSQVGLSA-N 1 0 284.403 3.779 50 0 CHAARO CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000014990278 567869846 /nfs/dbraw/zinc/86/98/46/567869846.db2.gz WQNKUBCFENJEBJ-MRXNPFEDSA-N 1 0 283.419 3.975 50 0 CHAARO Cc1oc(-c2ccco2)nc1C[N@@H+]1C[C@H]2C[C@@H]1CCC2 ZINC000014949622 567869992 /nfs/dbraw/zinc/86/99/92/567869992.db2.gz RCQSPSVZCNNOEZ-OLZOCXBDSA-N 1 0 272.348 3.617 50 0 CHAARO Fc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000014988141 567870013 /nfs/dbraw/zinc/87/00/13/567870013.db2.gz XNKVZGOLAUCKEB-UHFFFAOYSA-N 1 0 254.308 3.597 50 0 CHAARO COc1cccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)c1 ZINC000015356877 567870704 /nfs/dbraw/zinc/87/07/04/567870704.db2.gz ZNJYQMGZDVMBIQ-UHFFFAOYSA-N 1 0 294.354 3.640 50 0 CHAARO O[C@@H](C[NH2+]Cc1cccc(Cl)c1Cl)c1ccccc1 ZINC000016477517 567872841 /nfs/dbraw/zinc/87/28/41/567872841.db2.gz OMKRNUKEFZQQSY-AWEZNQCLSA-N 1 0 296.197 3.817 50 0 CHAARO Clc1ccc(OCCCCCC[NH+]2CCOCC2)cc1 ZINC000019335901 567877338 /nfs/dbraw/zinc/87/73/38/567877338.db2.gz JEZCZRKUVWVREI-UHFFFAOYSA-N 1 0 297.826 3.611 50 0 CHAARO Brc1cccc(Oc2ccncc2)c1 ZINC000019432273 567877854 /nfs/dbraw/zinc/87/78/54/567877854.db2.gz BOSNYMCOXXOGSZ-UHFFFAOYSA-N 1 0 250.095 3.636 50 0 CHAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3F)CC2)C1 ZINC000019842434 567879196 /nfs/dbraw/zinc/87/91/96/567879196.db2.gz YQJPGSDHPPYAJK-RDJZCZTQSA-N 1 0 290.426 3.522 50 0 CHAARO C[NH+]1CCN(Cc2ccccc2Sc2ccccc2)CC1 ZINC000019802183 567879227 /nfs/dbraw/zinc/87/92/27/567879227.db2.gz OEBSPMCYVVRUNV-UHFFFAOYSA-N 1 0 298.455 3.585 50 0 CHAARO COc1ccc([C@@H](C)[NH2+]C2CCC(C)CC2)c(OC)c1 ZINC000019918005 567880107 /nfs/dbraw/zinc/88/01/07/567880107.db2.gz KHGDUCLLIVORHM-ROKHWSDSSA-N 1 0 277.408 3.933 50 0 CHAARO c1ccc(Oc2cccc(C[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000124091809 567882562 /nfs/dbraw/zinc/88/25/62/567882562.db2.gz KCANWSDWAWRLCO-HNNXBMFYSA-N 1 0 253.345 3.773 50 0 CHAARO Cc1cc(C)c(C[NH2+][C@H]2COc3ccccc32)cc1C ZINC000070070332 567884007 /nfs/dbraw/zinc/88/40/07/567884007.db2.gz OFCZZZMELOZOFC-KRWDZBQOSA-N 1 0 267.372 3.835 50 0 CHAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C)o2)cc1 ZINC000030640823 567884818 /nfs/dbraw/zinc/88/48/18/567884818.db2.gz MVJIWSGBQFMRNG-CYBMUJFWSA-N 1 0 286.375 3.787 50 0 CHAARO Cc1ccc2oc(=O)cc(C[N@H+](C)Cc3ccccc3)c2c1 ZINC000033018616 567886217 /nfs/dbraw/zinc/88/62/17/567886217.db2.gz PDEGXWMULZSHAQ-UHFFFAOYSA-N 1 0 293.366 3.733 50 0 CHAARO c1ccc2c(c1)c1ccccc1n2C[NH+]1CCCC1 ZINC000032599532 567886369 /nfs/dbraw/zinc/88/63/69/567886369.db2.gz WKINPTMLCGBWCM-UHFFFAOYSA-N 1 0 250.345 3.848 50 0 CHAARO C[N@H+](Cc1ccc(Br)cc1)C1CCCC1 ZINC000032917389 567886425 /nfs/dbraw/zinc/88/64/25/567886425.db2.gz FPQVOAABPBDASY-UHFFFAOYSA-N 1 0 268.198 3.824 50 0 CHAARO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C(C)(C)C)C[C@H]1C ZINC000034144942 567887125 /nfs/dbraw/zinc/88/71/25/567887125.db2.gz RJPQYHOYVZTHMX-RDTXWAMCSA-N 1 0 289.419 3.585 50 0 CHAARO Fc1ccc(N2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000000217113 567887276 /nfs/dbraw/zinc/88/72/76/567887276.db2.gz BUBNACALEQCLQZ-UHFFFAOYSA-N 1 0 298.405 3.581 50 0 CHAARO CC[NH+]1CCC(NC2c3ccccc3-c3ccccc32)CC1 ZINC000004985645 567888455 /nfs/dbraw/zinc/88/84/55/567888455.db2.gz BQTUYQYBABCVDJ-UHFFFAOYSA-N 1 0 292.426 3.830 50 0 CHAARO [NH3+]C[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000137251230 567888592 /nfs/dbraw/zinc/88/85/92/567888592.db2.gz VBTSSRPPXRITBZ-LLVKDONJSA-N 1 0 293.288 3.635 50 0 CHAARO CC[C@H](COc1ccccn1)[NH2+]Cc1ccc(Cl)cc1 ZINC000041154162 567890759 /nfs/dbraw/zinc/89/07/59/567890759.db2.gz YVMBBVFQOIUZLI-OAHLLOKOSA-N 1 0 290.794 3.682 50 0 CHAARO Clc1ccc(OC[C@H]2CC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042771185 567891616 /nfs/dbraw/zinc/89/16/16/567891616.db2.gz KBIVIDXWOXGZBO-ZDUSSCGKSA-N 1 0 287.790 3.995 50 0 CHAARO Clc1cccc(OCCC2CC[NH2+]CC2)c1Cl ZINC000042772228 567891736 /nfs/dbraw/zinc/89/17/36/567891736.db2.gz SZKHFQMXJOEHNN-UHFFFAOYSA-N 1 0 274.191 3.762 50 0 CHAARO Cc1cc(C)c(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770723 567891743 /nfs/dbraw/zinc/89/17/43/567891743.db2.gz DXCQMOKWFCUHKT-ZDUSSCGKSA-N 1 0 267.800 3.725 50 0 CHAARO Cc1cc(C[NH2+]Cc2cc(C)c(O)c(C)c2)cc(C)c1O ZINC000057218549 567894365 /nfs/dbraw/zinc/89/43/65/567894365.db2.gz LMXLQCFWONDIEF-UHFFFAOYSA-N 1 0 285.387 3.621 50 0 CHAARO Cc1ccccc1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000055543000 567894567 /nfs/dbraw/zinc/89/45/67/567894567.db2.gz RIFLQOHTXCCIMN-UHFFFAOYSA-N 1 0 280.415 3.626 50 0 CHAARO Cc1ccc(NC(=O)C[NH2+]C[C@@H](C)c2ccccc2)c(C)c1 ZINC000065372074 567898707 /nfs/dbraw/zinc/89/87/07/567898707.db2.gz QRIBZXJRBHJZRN-MRXNPFEDSA-N 1 0 296.414 3.635 50 0 CHAARO Cc1cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)cnc1N ZINC000065370065 567898710 /nfs/dbraw/zinc/89/87/10/567898710.db2.gz PALHLJGEEYXIHG-CQSZACIVSA-N 1 0 281.403 3.796 50 0 CHAARO C/C=C(\C)c1c(-c2ccccc2)ncn1[C@@H]1CCC[NH2+]C1 ZINC000065396831 567899032 /nfs/dbraw/zinc/89/90/32/567899032.db2.gz GWSKBECKVIAKOT-TWQVXDNOSA-N 1 0 281.403 3.898 50 0 CHAARO C[NH2+]CCOc1ccc(C)cc1-c1ccccc1Cl ZINC000067643111 567900039 /nfs/dbraw/zinc/90/00/39/567900039.db2.gz SJRVLPQDGPAGRJ-UHFFFAOYSA-N 1 0 275.779 3.914 50 0 CHAARO Cc1cccc(-c2ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc2)c1 ZINC000067818773 567900450 /nfs/dbraw/zinc/90/04/50/567900450.db2.gz ZUSAMLXLDYNPHB-SFHVURJKSA-N 1 0 289.382 3.620 50 0 CHAARO COc1ccc(-c2c[nH+]c(NCc3ccccc3)n2C)cc1 ZINC000004678650 567901377 /nfs/dbraw/zinc/90/13/77/567901377.db2.gz LCFKPIJCXUNQQX-UHFFFAOYSA-N 1 0 293.370 3.708 50 0 CHAARO CCc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000004690554 567901599 /nfs/dbraw/zinc/90/15/99/567901599.db2.gz LWWCONYXHDHQPK-UHFFFAOYSA-N 1 0 251.373 3.807 50 0 CHAARO Cc1nc(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)oc1C ZINC000060569405 567902029 /nfs/dbraw/zinc/90/20/29/567902029.db2.gz XMJCJQGKRQDEPH-UHFFFAOYSA-N 1 0 288.435 3.940 50 0 CHAARO Cc1nc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)co1 ZINC000072425604 567902408 /nfs/dbraw/zinc/90/24/08/567902408.db2.gz QFRDELOMDPKDFK-SFHVURJKSA-N 1 0 284.403 3.970 50 0 CHAARO C[NH+](C)[C@@H](Cn1ccnc1C1CC1)c1ccccc1Cl ZINC000072426921 567902680 /nfs/dbraw/zinc/90/26/80/567902680.db2.gz DEKDWHWAJOTBPG-HNNXBMFYSA-N 1 0 289.810 3.717 50 0 CHAARO Fc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccccn2)c1 ZINC000072433160 567902732 /nfs/dbraw/zinc/90/27/32/567902732.db2.gz YYYGBWLBZKMUBP-KRWDZBQOSA-N 1 0 270.351 3.948 50 0 CHAARO CCn1ccnc1C[N@@H+]1CCC[C@H](c2ccccc2C)C1 ZINC000072432514 567902770 /nfs/dbraw/zinc/90/27/70/567902770.db2.gz RTBSGKOQTSYFBS-INIZCTEOSA-N 1 0 283.419 3.591 50 0 CHAARO Cc1cc(N2CCC(c3ncc[nH]3)CC2)c2ccccc2[nH+]1 ZINC000072457866 567903225 /nfs/dbraw/zinc/90/32/25/567903225.db2.gz AMOUTWQRSOKAHV-UHFFFAOYSA-N 1 0 292.386 3.650 50 0 CHAARO COc1ccc(-c2cnc(Cn3ccnc3C(C)C)o2)cc1 ZINC000097053365 567903862 /nfs/dbraw/zinc/90/38/62/567903862.db2.gz NXWLIAUQQNAWCA-UHFFFAOYSA-N 1 0 297.358 3.718 50 0 CHAARO Cc1nc(CN2CCCC[C@H]2c2ccc(F)cc2)co1 ZINC000072431862 567903878 /nfs/dbraw/zinc/90/38/78/567903878.db2.gz YHDAVQLVUQCPKV-INIZCTEOSA-N 1 0 274.339 3.849 50 0 CHAARO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000097103351 567904084 /nfs/dbraw/zinc/90/40/84/567904084.db2.gz ONURQICLVRDFQL-WFASDCNBSA-N 1 0 288.439 3.501 50 0 CHAARO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000000051679 567905849 /nfs/dbraw/zinc/90/58/49/567905849.db2.gz PELDFWBVLFWHIS-OAHLLOKOSA-N 1 0 294.826 3.933 50 0 CHAARO COC[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000056908410 567905864 /nfs/dbraw/zinc/90/58/64/567905864.db2.gz XLPXPUQOCRTFGV-OAHLLOKOSA-N 1 0 269.388 3.698 50 0 CHAARO CCCC[C@@H](NNc1nc(C)cc(C)[nH+]1)c1ccccc1 ZINC000098086608 567907804 /nfs/dbraw/zinc/90/78/04/567907804.db2.gz APDRGNBQUNWWDB-MRXNPFEDSA-N 1 0 284.407 3.941 50 0 CHAARO CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc(C)c3)cc2)C1 ZINC000097674384 567910939 /nfs/dbraw/zinc/91/09/39/567910939.db2.gz DLHJTJDFBUBPOR-IBGZPJMESA-N 1 0 281.399 3.883 50 0 CHAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC000095462640 567915617 /nfs/dbraw/zinc/91/56/17/567915617.db2.gz NPYGPEOXFQQELY-QWHCGFSZSA-N 1 0 273.380 3.569 50 0 CHAARO CC[C@H](C)[C@H](C)[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC000095462642 567915656 /nfs/dbraw/zinc/91/56/56/567915656.db2.gz NPYGPEOXFQQELY-STQMWFEESA-N 1 0 273.380 3.569 50 0 CHAARO CC(=O)c1cccc(Nc2cc(C)[nH+]c3ccccc23)c1 ZINC000000120690 567923260 /nfs/dbraw/zinc/92/32/60/567923260.db2.gz PKVUYSMTJLSBNZ-UHFFFAOYSA-N 1 0 276.339 3.911 50 0 CHAARO CCOc1cc2c(cc1OCC)[C@H]([C@@H](C)CC)[NH2+]CC2 ZINC000000141634 567923718 /nfs/dbraw/zinc/92/37/18/567923718.db2.gz IOEDBYAFSCGWPC-SJCJKPOMSA-N 1 0 277.408 3.717 50 0 CHAARO Cc1ccc2cc(C)c(NCc3cccnc3)nc2c1 ZINC000000191194 567924919 /nfs/dbraw/zinc/92/49/19/567924919.db2.gz NJXUISTVTNNJHJ-UHFFFAOYSA-N 1 0 263.344 3.859 50 0 CHAARO O=C(CC[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000000340697 567927061 /nfs/dbraw/zinc/92/70/61/567927061.db2.gz RHPLZNDNUZKGSA-UHFFFAOYSA-N 1 0 265.784 3.789 50 0 CHAARO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCc1ccncc1 ZINC000060995427 567927382 /nfs/dbraw/zinc/92/73/82/567927382.db2.gz VKAJRTWNGWUBSI-CYBMUJFWSA-N 1 0 297.427 3.927 50 0 CHAARO Cc1n[nH]cc1CCC[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000133096221 567929487 /nfs/dbraw/zinc/92/94/87/567929487.db2.gz JFNXHCUSHWHESG-LJQANCHMSA-N 1 0 299.462 3.816 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000019908961 567944989 /nfs/dbraw/zinc/94/49/89/567944989.db2.gz NHIUKCJAMTZFSC-WBMJQRKESA-N 1 0 271.360 3.701 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000019908952 567945093 /nfs/dbraw/zinc/94/50/93/567945093.db2.gz NHIUKCJAMTZFSC-BLLLJJGKSA-N 1 0 271.360 3.701 50 0 CHAARO O[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000049933661 567946914 /nfs/dbraw/zinc/94/69/14/567946914.db2.gz HIJNQMKSFNQSBG-SNVBAGLBSA-N 1 0 281.808 3.511 50 0 CHAARO CC[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCCCO1 ZINC000216331334 567947717 /nfs/dbraw/zinc/94/77/17/567947717.db2.gz XVDPBHYJDVAIOC-OAHLLOKOSA-N 1 0 299.361 3.679 50 0 CHAARO c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000025259510 567948943 /nfs/dbraw/zinc/94/89/43/567948943.db2.gz WEWFKFBBCLGFDP-KRWDZBQOSA-N 1 0 295.382 3.625 50 0 CHAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCCC12CCCCC2 ZINC000225352109 567953075 /nfs/dbraw/zinc/95/30/75/567953075.db2.gz ANHCAFIQECEFDU-HRCADAONSA-N 1 0 265.441 3.630 50 0 CHAARO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000225534499 567954128 /nfs/dbraw/zinc/95/41/28/567954128.db2.gz BRMGTHNIRBOTBY-UHFFFAOYSA-N 1 0 294.402 3.579 50 0 CHAARO CCCC[C@](C)([NH3+])c1cccc(Br)c1 ZINC000053756909 570239457 /nfs/dbraw/zinc/23/94/57/570239457.db2.gz GANQTPZONDWWAN-LBPRGKRZSA-N 1 0 256.187 3.813 50 0 CHAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cccnc1 ZINC000055392891 570243327 /nfs/dbraw/zinc/24/33/27/570243327.db2.gz ZVGAFHPAWVCKAB-CYBMUJFWSA-N 1 0 260.406 3.944 50 0 CHAARO c1ccc([C@H]2CCC[N@@H+](Cc3cccnc3)CC2)cc1 ZINC000066897882 570245774 /nfs/dbraw/zinc/24/57/74/570245774.db2.gz IDOKPOLEUROBST-SFHVURJKSA-N 1 0 266.388 3.851 50 0 CHAARO c1nc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cs1 ZINC000066898354 570245903 /nfs/dbraw/zinc/24/59/03/570245903.db2.gz KSNUYCYEYDMRIR-OAHLLOKOSA-N 1 0 272.417 3.913 50 0 CHAARO COCC[NH2+]CCCCOc1ccc(C(C)C)c(C)c1 ZINC000003000904 570278358 /nfs/dbraw/zinc/27/83/58/570278358.db2.gz DRSZOWPHNVOCCA-UHFFFAOYSA-N 1 0 279.424 3.513 50 0 CHAARO Nc1c2c([nH+]c3ccccc31)N(c1ccccc1)CC2 ZINC000000494402 570282655 /nfs/dbraw/zinc/28/26/55/570282655.db2.gz IBYGZZKGKLQRQF-UHFFFAOYSA-N 1 0 261.328 3.511 50 0 CHAARO COc1ccc(C[N@H+](C)CCC[C@H]2CCCO2)c(C)c1C ZINC000215757254 570303836 /nfs/dbraw/zinc/30/38/36/570303836.db2.gz LERQOMUVWJTKLG-KRWDZBQOSA-N 1 0 291.435 3.703 50 0 CHAARO Cc1cccc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)n1 ZINC000215800368 570304049 /nfs/dbraw/zinc/30/40/49/570304049.db2.gz YZMTYPLJNLWPEV-IBGZPJMESA-N 1 0 295.430 3.772 50 0 CHAARO CN(Cc1ccc2ncccc2c1)Cc1ccncc1Cl ZINC000215845017 570304078 /nfs/dbraw/zinc/30/40/78/570304078.db2.gz QATZFYXBZWJZQM-UHFFFAOYSA-N 1 0 297.789 3.915 50 0 CHAARO COC1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000216066064 570304969 /nfs/dbraw/zinc/30/49/69/570304969.db2.gz YLQAMZDVXFEQBH-UHFFFAOYSA-N 1 0 289.419 3.619 50 0 CHAARO c1cnc2cccc(C[N@@H+]3CCC[C@]4(CCCO4)CC3)c2c1 ZINC000216036695 570305040 /nfs/dbraw/zinc/30/50/40/570305040.db2.gz ULLUOIMQTCDCGW-IBGZPJMESA-N 1 0 296.414 3.770 50 0 CHAARO Cc1c2ccccc2oc1C[NH+]1CCC(F)(F)CC1 ZINC000216491978 570305485 /nfs/dbraw/zinc/30/54/85/570305485.db2.gz DJWANJAMIDLDGG-UHFFFAOYSA-N 1 0 265.303 3.972 50 0 CHAARO C[C@@H]1CCC[C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3)[C@@H]12 ZINC000229649313 570316701 /nfs/dbraw/zinc/31/67/01/570316701.db2.gz RQMKDTOHBAISKM-RKVPGOIHSA-N 1 0 286.419 3.526 50 0 CHAARO [NH2+]=C(COc1ccc(Cl)cc1)NCCc1ccccc1 ZINC000004015682 570329354 /nfs/dbraw/zinc/32/93/54/570329354.db2.gz QLRKZHPGPHBDIY-UHFFFAOYSA-N 1 0 288.778 3.528 50 0 CHAARO CCOc1ccc([C@@H](C)NCc2csc(C)n2)cc1 ZINC000035052949 570329551 /nfs/dbraw/zinc/32/95/51/570329551.db2.gz OBTVXEZUKJLYLI-LLVKDONJSA-N 1 0 276.405 3.701 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000095350325 570371799 /nfs/dbraw/zinc/37/17/99/570371799.db2.gz DKEAZMKTKRORNR-KRWDZBQOSA-N 1 0 285.391 3.804 50 0 CHAARO COCC[C@H](C)[NH2+]CCc1c(C)[nH]c2c1ccc(C)c2C ZINC000584888317 570385632 /nfs/dbraw/zinc/38/56/32/570385632.db2.gz PKMXRLMALKNSGY-ZDUSSCGKSA-N 1 0 288.435 3.650 50 0 CHAARO COc1ccc([C@H](C)[NH+]2CCC(OC)CC2)cc1Cl ZINC000069845072 570402946 /nfs/dbraw/zinc/40/29/46/570402946.db2.gz ABZUYSODWWTMRB-NSHDSACASA-N 1 0 283.799 3.520 50 0 CHAARO CCn1cncc1C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000417790053 1126994725 /nfs/dbraw/zinc/99/47/25/1126994725.db2.gz HGXDNGCZSCSFCC-QGZVFWFLSA-N 1 0 283.419 3.529 50 0 CHAARO Fc1ccccc1CC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000032560986 1127972997 /nfs/dbraw/zinc/97/29/97/1127972997.db2.gz IGRMDLHRJAKGJG-HNNXBMFYSA-N 1 0 279.424 3.586 50 0 CHAARO COc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC000000278878 1128088029 /nfs/dbraw/zinc/08/80/29/1128088029.db2.gz SOPHUYPTIQHZET-NSHDSACASA-N 1 0 298.224 3.690 50 0 CHAARO CCCC[C@H](/C=C/CC(OC)OC)[NH+]1CCCCC1 ZINC000003070177 1118110173 /nfs/dbraw/zinc/11/01/73/1118110173.db2.gz FWJQLJUOADUGMN-SLZMIMFISA-N 1 0 269.429 3.596 50 0 CHAARO c1ccc(C(O[C@H]2C[NH+]3CCC2CC3)c2ccccc2)cc1 ZINC000002561376 1118241861 /nfs/dbraw/zinc/24/18/61/1118241861.db2.gz TYHULHQMILADSO-IBGZPJMESA-N 1 0 293.410 3.887 50 0 CHAARO C[C@H]([NH2+]Cc1cccc2ccccc21)[C@@]1(C)CCCO1 ZINC000252486012 1119530827 /nfs/dbraw/zinc/53/08/27/1119530827.db2.gz HHDHAHFRPZZKNU-KBXCAEBGSA-N 1 0 269.388 3.887 50 0 CHAARO COc1cc(C)c(C[NH2+]CCc2ccccc2F)cc1C ZINC000023550183 1119911480 /nfs/dbraw/zinc/91/14/80/1119911480.db2.gz GBRGWDGUHKCCPI-UHFFFAOYSA-N 1 0 287.378 3.783 50 0 CHAARO c1ccc(CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000000757018 1119935266 /nfs/dbraw/zinc/93/52/66/1119935266.db2.gz GJYPLRGRRZZXHF-UHFFFAOYSA-N 1 0 266.388 3.536 50 0 CHAARO [NH2+]=c1c2c(n(Cc3ccccc3)c3ccccc13)CCC2 ZINC000004321454 1120672307 /nfs/dbraw/zinc/67/23/07/1120672307.db2.gz HHJPBEIGILDJNU-UHFFFAOYSA-N 1 0 274.367 3.658 50 0 CHAARO C[C@H]1CCCCN1Cc1cc(-c2cccs2)on1 ZINC000048368140 1120813616 /nfs/dbraw/zinc/81/36/16/1120813616.db2.gz QHCHMJLBRGXABV-NSHDSACASA-N 1 0 262.378 3.778 50 0 CHAARO C[C@H]1CC[C@@]2(C)c3c(c4ccccc4n3C)CC[N@@H+]2C1 ZINC000005091775 1120963270 /nfs/dbraw/zinc/96/32/70/1120963270.db2.gz MSXQRQHGKWQLBE-UGSOOPFHSA-N 1 0 268.404 3.682 50 0 CHAARO Cc1ncsc1C[NH2+][C@@H](C)CC[C@H]1CC1(Cl)Cl ZINC000888098627 1121086019 /nfs/dbraw/zinc/08/60/19/1121086019.db2.gz LYWUKFHPZQCABQ-WPRPVWTQSA-N 1 0 293.263 3.904 50 0 CHAARO CCC[N@H+](C/C=C/c1ccccc1)Cc1[nH]cnc1C ZINC000252501715 1121652771 /nfs/dbraw/zinc/65/27/71/1121652771.db2.gz UIHJCDIBYAOWDS-JXMROGBWSA-N 1 0 269.392 3.644 50 0 CHAARO CC(C)CC1(CNC(=O)CC[C@H](C)[NH+]2CCCC2)CCC1 ZINC000821011656 1121916007 /nfs/dbraw/zinc/91/60/07/1121916007.db2.gz IFFFUIVJUMBVOP-INIZCTEOSA-N 1 0 294.483 3.584 50 0 CHAARO CCSC[C@@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000823421485 1122003213 /nfs/dbraw/zinc/00/32/13/1122003213.db2.gz YMNVJMORGBMYNK-GFCCVEGCSA-N 1 0 276.405 3.573 50 0 CHAARO COc1cccc(-c2ccc([C@@H](C)[NH3+])c(F)c2)c1OC ZINC000665199237 1123227409 /nfs/dbraw/zinc/22/74/09/1123227409.db2.gz ZZLVSVKVYLJWIV-SNVBAGLBSA-N 1 0 275.323 3.530 50 0 CHAARO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)c1 ZINC000184479652 1129204662 /nfs/dbraw/zinc/20/46/62/1129204662.db2.gz WPOIZNVERFEMEF-CQSZACIVSA-N 1 0 299.418 3.813 50 0 CHAARO Cc1ccsc1CN1CCC(CC2CC2)([NH+](C)C)CC1 ZINC000581811643 1129624922 /nfs/dbraw/zinc/62/49/22/1129624922.db2.gz ZLSJSHOBDYDEEA-UHFFFAOYSA-N 1 0 292.492 3.753 50 0 CHAARO CCC[N@H+](CC1CC1)[C@H](C)CCc1ccc(O)cc1 ZINC000000221645 1129737167 /nfs/dbraw/zinc/73/71/67/1129737167.db2.gz LJEFYDVGYRCRLR-CQSZACIVSA-N 1 0 261.409 3.835 50 0 CHAARO c1ccc([C@H]2CCC[N@@H+](CCc3cccnc3)C2)cc1 ZINC000019835961 1129846973 /nfs/dbraw/zinc/84/69/73/1129846973.db2.gz SWUIYLDRDPOART-SFHVURJKSA-N 1 0 266.388 3.504 50 0 CHAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000200484854 1130108665 /nfs/dbraw/zinc/10/86/65/1130108665.db2.gz MYRPGNWPGOADOY-CQSZACIVSA-N 1 0 277.456 3.834 50 0 CHAARO CCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000083457554 1130214328 /nfs/dbraw/zinc/21/43/28/1130214328.db2.gz HISNWZZIRAOBEB-UHFFFAOYSA-N 1 0 262.578 3.602 50 0 CHAARO CCCC1(O)CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000952845894 1132014281 /nfs/dbraw/zinc/01/42/81/1132014281.db2.gz GZEBRJSGKYEWRJ-UHFFFAOYSA-N 1 0 298.430 3.983 50 0 CHAARO C[C@H]([NH2+]Cc1cnc(-c2ccccn2)nc1)C1=CCCCC1 ZINC000952869106 1132014918 /nfs/dbraw/zinc/01/49/18/1132014918.db2.gz XIAPBQBWHZRMIO-AWEZNQCLSA-N 1 0 294.402 3.517 50 0 CHAARO C[C@H](O)c1cnc(C[N@H+](C)C2CCC(C)(C)CC2)s1 ZINC000952846952 1132015308 /nfs/dbraw/zinc/01/53/08/1132015308.db2.gz LGAWTOWSRRAEHR-NSHDSACASA-N 1 0 282.453 3.597 50 0 CHAARO COc1ccc(F)c(F)c1C[NH2+]C(C)(C)CC(C)C ZINC000952872273 1132016210 /nfs/dbraw/zinc/01/62/10/1132016210.db2.gz MGIOTLUSHBSCNB-UHFFFAOYSA-N 1 0 271.351 3.888 50 0 CHAARO c1cc(C2CC[NH+](CCc3ccncc3)CC2)cs1 ZINC000186937386 230395695 /nfs/dbraw/zinc/39/56/95/230395695.db2.gz AHGMTNGVNBJAOI-UHFFFAOYSA-N 1 0 272.417 3.565 50 0 CHAARO CCn1cc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)cn1 ZINC000426589151 230423728 /nfs/dbraw/zinc/42/37/28/230423728.db2.gz WNWFIVHYDIVMMU-AWEZNQCLSA-N 1 0 269.392 3.727 50 0 CHAARO Cc1nn(C(C)C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000095969256 185047378 /nfs/dbraw/zinc/04/73/78/185047378.db2.gz NBHVALBJZYFCFB-RISCZKNCSA-N 1 0 281.469 3.627 50 0 CHAARO C[C@H](O)C[C@H](C[NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000095969334 185047924 /nfs/dbraw/zinc/04/79/24/185047924.db2.gz AHRAFDULWVDUBJ-OFQRWUPVSA-N 1 0 263.425 3.565 50 0 CHAARO CCc1ccc(C[NH2+][C@@](C)(COC)c2ccccc2)cc1 ZINC000095985808 185055206 /nfs/dbraw/zinc/05/52/06/185055206.db2.gz XFQPOFXVIGSDRP-IBGZPJMESA-N 1 0 283.415 3.900 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000095985998 185056066 /nfs/dbraw/zinc/05/60/66/185056066.db2.gz UDZPXULGUAVLKL-ZDUSSCGKSA-N 1 0 299.418 3.742 50 0 CHAARO Cc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000096077911 185089550 /nfs/dbraw/zinc/08/95/50/185089550.db2.gz UJBCMDVTNHKQTA-LJQANCHMSA-N 1 0 274.367 3.978 50 0 CHAARO COc1cc(C[N@H+](Cc2cccc(C)c2)C2CC2)ccc1O ZINC000097022362 185153800 /nfs/dbraw/zinc/15/38/00/185153800.db2.gz QACKBAIVKBUSLE-UHFFFAOYSA-N 1 0 297.398 3.874 50 0 CHAARO C[C@@H]([NH2+]CCc1cccc2cccnc21)c1cncc(F)c1 ZINC000089904611 179880790 /nfs/dbraw/zinc/88/07/90/179880790.db2.gz FZYSQXYTGPFRMB-CYBMUJFWSA-N 1 0 295.361 3.662 50 0 CHAARO Fc1ccc([C@H](CC(F)(F)F)[NH2+]C2CCOCC2)cc1 ZINC000090969054 180076874 /nfs/dbraw/zinc/07/68/74/180076874.db2.gz VWFBAXGCNDTYQN-ZDUSSCGKSA-N 1 0 291.288 3.588 50 0 CHAARO CCC[C@H]1CCC[N@@H+]1Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091587057 180200502 /nfs/dbraw/zinc/20/05/02/180200502.db2.gz TZPDLIDTNFZGRM-HNNXBMFYSA-N 1 0 284.403 3.601 50 0 CHAARO c1ccc([C@@H](CNc2ncccn2)[NH+]2CCCCCC2)cc1 ZINC000091587274 180200617 /nfs/dbraw/zinc/20/06/17/180200617.db2.gz RHJYMERXCZFNMV-QGZVFWFLSA-N 1 0 296.418 3.506 50 0 CHAARO C[C@@H]1C[N@H+](Cc2ccccc2-c2ccccc2)CC[C@]1(C)O ZINC000091678732 180225588 /nfs/dbraw/zinc/22/55/88/180225588.db2.gz VTGAPZNMZMRVIU-UZLBHIALSA-N 1 0 295.426 3.946 50 0 CHAARO C1=CC[C@H](COc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000299756467 200860551 /nfs/dbraw/zinc/86/05/51/200860551.db2.gz FLYQMUANWYQIJN-HNNXBMFYSA-N 1 0 257.377 3.674 50 0 CHAARO Cc1cccc(C2=CC[N@H+]([C@H](C)c3cnccn3)CC2)c1 ZINC000184709429 189393131 /nfs/dbraw/zinc/39/31/31/189393131.db2.gz AZBKXHNAYDFBTN-OAHLLOKOSA-N 1 0 279.387 3.635 50 0 CHAARO O[C@@H](c1ccccc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000000346120 169612831 /nfs/dbraw/zinc/61/28/31/169612831.db2.gz PVXJJESJYYEWMJ-MOPGFXCFSA-N 1 0 281.399 3.600 50 0 CHAARO CC[n+]1c(SCc2ccc(Cl)cc2)cn2c1CCC2 ZINC000000448327 169643320 /nfs/dbraw/zinc/64/33/20/169643320.db2.gz JLWQFWFORDTJQT-UHFFFAOYSA-N 1 0 293.843 3.687 50 0 CHAARO CC1(C)C[C@@H]([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)CCO1 ZINC000000518095 169660865 /nfs/dbraw/zinc/66/08/65/169660865.db2.gz TYMZPQWLYHQVOT-BLLLJJGKSA-N 1 0 284.403 3.560 50 0 biogenic CHAARO CC(C)[N@@H+]1CC[C@H](CN2c3cccc4cccc(c34)C2=O)C1 ZINC000095361952 184953769 /nfs/dbraw/zinc/95/37/69/184953769.db2.gz FVYWJFMPKFTJRC-AWEZNQCLSA-N 1 0 294.398 3.530 50 0 CHAARO c1cc(C[NH2+]C2CCCCCC2)cc(N2CCCCC2)n1 ZINC000069711090 134943656 /nfs/dbraw/zinc/94/36/56/134943656.db2.gz UIXORUCETAAQDY-UHFFFAOYSA-N 1 0 287.451 3.884 50 0 CHAARO CC(C)[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000001999756 169766239 /nfs/dbraw/zinc/76/62/39/169766239.db2.gz RRPVHSLFGZOQRZ-UHFFFAOYSA-N 1 0 269.388 3.791 50 0 CHAARO CC(C)(C)[NH2+]CCCOc1ccc(Br)cc1 ZINC000002466155 169793385 /nfs/dbraw/zinc/79/33/85/169793385.db2.gz LUEUBOONEJQHPB-UHFFFAOYSA-N 1 0 286.213 3.606 50 0 CHAARO Cc1cc(C)c(C)c(OCCC[NH+]2CCCCC2)c1 ZINC000002494211 169795204 /nfs/dbraw/zinc/79/52/04/169795204.db2.gz FCKQWGQVPAJPHK-UHFFFAOYSA-N 1 0 261.409 3.867 50 0 CHAARO Cc1ccc(OCCCCC[NH+]2CCCC2)cc1C ZINC000002494227 169795266 /nfs/dbraw/zinc/79/52/66/169795266.db2.gz GLWAKYNDCFOQKM-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO CCc1cc(OCC[NH2+][C@H](C)CC)ccc1Cl ZINC000002825171 169835137 /nfs/dbraw/zinc/83/51/37/169835137.db2.gz QYJNVIZLAAXPFB-LLVKDONJSA-N 1 0 255.789 3.669 50 0 CHAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000002881993 169840703 /nfs/dbraw/zinc/84/07/03/169840703.db2.gz ZUVZCSDROMMRSK-UHFFFAOYSA-N 1 0 263.381 3.720 50 0 CHAARO CCCC[NH2+]CCCCOc1ccccc1Cl ZINC000002902489 169843290 /nfs/dbraw/zinc/84/32/90/169843290.db2.gz MWXXMFOJTIWPFZ-UHFFFAOYSA-N 1 0 255.789 3.889 50 0 CHAARO CCCC[NH2+]CCOc1cccc(Cl)c1Cl ZINC000002931005 169844875 /nfs/dbraw/zinc/84/48/75/169844875.db2.gz VRBDVCNKDIYUEW-UHFFFAOYSA-N 1 0 262.180 3.762 50 0 CHAARO Cc1cc(Cl)ccc1OCCC[NH+]1CCCC1 ZINC000002933273 169845360 /nfs/dbraw/zinc/84/53/60/169845360.db2.gz XEACDRJYMFQYTB-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO CCCC[NH2+]CCOCCOc1ccccc1[C@@H](C)CC ZINC000003461420 169889777 /nfs/dbraw/zinc/88/97/77/169889777.db2.gz QCAVBFUPORMZLB-INIZCTEOSA-N 1 0 293.451 3.985 50 0 CHAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc3ccccc3c1)[NH2+]CC2 ZINC000003684550 169908051 /nfs/dbraw/zinc/90/80/51/169908051.db2.gz LNMZDLQETPKCDD-QRVBRYPASA-N 1 0 281.399 3.796 50 0 CHAARO CSc1sc(-c2ccccc2)c2nc(C)cc(C)[n+]21 ZINC000004263372 169950127 /nfs/dbraw/zinc/95/01/27/169950127.db2.gz BEIAYJHBUMZJHB-UHFFFAOYSA-N 1 0 287.433 3.888 50 0 CHAARO Cc1[nH]c2ccccc2c1CCNC(=[NH2+])c1ccc(C)cc1 ZINC000004376091 169962711 /nfs/dbraw/zinc/96/27/11/169962711.db2.gz ATHAKHLTYNYQIT-UHFFFAOYSA-N 1 0 291.398 3.942 50 0 CHAARO COc1ccc([N+]2=NN(c3ccc(C)cc3)CC2)cc1 ZINC000004823030 170024104 /nfs/dbraw/zinc/02/41/04/170024104.db2.gz WQNADHKLXSHRRW-UHFFFAOYSA-N 1 0 268.340 3.535 50 0 CHAARO c1ccc(-c2ccc(OCC[NH2+]C[C@H]3CCCO3)cc2)cc1 ZINC000004841320 170027967 /nfs/dbraw/zinc/02/79/67/170027967.db2.gz RNSGWAMTDPYHTM-LJQANCHMSA-N 1 0 297.398 3.501 50 0 CHAARO Cc1ccc(C(C)(C)C)c(OCC[NH+]2CCCC2)c1 ZINC000004845135 170029789 /nfs/dbraw/zinc/02/97/89/170029789.db2.gz AONQMPSQRQVOAK-UHFFFAOYSA-N 1 0 261.409 3.767 50 0 CHAARO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC)cc1 ZINC000004868577 170034058 /nfs/dbraw/zinc/03/40/58/170034058.db2.gz QLZVAUDSMCSKEP-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO CC1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C1 ZINC000004889363 170036516 /nfs/dbraw/zinc/03/65/16/170036516.db2.gz GPNLJAZAPSEYDT-IAGOWNOFSA-N 1 0 267.372 3.603 50 0 CHAARO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1OC ZINC000004891814 170036838 /nfs/dbraw/zinc/03/68/38/170036838.db2.gz MXBNOXVVADBBNM-QGZVFWFLSA-N 1 0 297.398 3.871 50 0 CHAARO C[NH+](C)CCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000004913495 170040397 /nfs/dbraw/zinc/04/03/97/170040397.db2.gz QNADLEUQBAHECM-UHFFFAOYSA-N 1 0 283.415 3.953 50 0 CHAARO COCC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000004942932 170043682 /nfs/dbraw/zinc/04/36/82/170043682.db2.gz ATZZLNLBQFOGIU-UHFFFAOYSA-N 1 0 279.767 3.644 50 0 CHAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000004977723 170047909 /nfs/dbraw/zinc/04/79/09/170047909.db2.gz FIBODPWDQHJZDK-UHFFFAOYSA-N 1 0 297.398 3.571 50 0 CHAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000004989494 170049951 /nfs/dbraw/zinc/04/99/51/170049951.db2.gz CGNKABUXGKEOTG-UHFFFAOYSA-N 1 0 294.442 3.783 50 0 CHAARO C[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000004997017 170052177 /nfs/dbraw/zinc/05/21/77/170052177.db2.gz VSGLJOVBAUZFSY-BBRMVZONSA-N 1 0 256.393 3.879 50 0 CHAARO C[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000004997020 170052186 /nfs/dbraw/zinc/05/21/86/170052186.db2.gz VSGLJOVBAUZFSY-XJKSGUPXSA-N 1 0 256.393 3.879 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)C1CCCCC1 ZINC000005477605 170103161 /nfs/dbraw/zinc/10/31/61/170103161.db2.gz AOMVZBRDNDTTMS-UHFFFAOYSA-N 1 0 284.403 3.924 50 0 CHAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCCC[C@H]1C ZINC000005557344 170112934 /nfs/dbraw/zinc/11/29/34/170112934.db2.gz LBVSFXUUSXMYMA-OLZOCXBDSA-N 1 0 270.376 3.614 50 0 CHAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000005557326 170112942 /nfs/dbraw/zinc/11/29/42/170112942.db2.gz BMYNOEXNAKSRKS-MJBXVCDLSA-N 1 0 284.403 3.717 50 0 CHAARO COc1ccc(C[C@@H](C)[NH3+])c(Sc2ccccc2)c1 ZINC000006468897 170203315 /nfs/dbraw/zinc/20/33/15/170203315.db2.gz ZBVAOHMHFXIUII-GFCCVEGCSA-N 1 0 273.401 3.736 50 0 CHAARO CCOc1c(C[NH2+]C2CCCCCC2)cccc1OC ZINC000006701617 170229270 /nfs/dbraw/zinc/22/92/70/170229270.db2.gz SMMXBIVOCGEPJU-UHFFFAOYSA-N 1 0 277.408 3.906 50 0 CHAARO c1ccc(COc2cccc(C[NH2+]C3CC3)c2)cc1 ZINC000006702124 170229666 /nfs/dbraw/zinc/22/96/66/170229666.db2.gz XXDJZWZZAFQXAA-UHFFFAOYSA-N 1 0 253.345 3.518 50 0 CHAARO CCC(=O)O[C@]1(c2cccc(C)c2)C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000007991643 170312426 /nfs/dbraw/zinc/31/24/26/170312426.db2.gz SABQXRSQNPFMEG-IIDMSEBBSA-N 1 0 289.419 3.504 50 0 CHAARO CC(=O)Nc1ccc(SCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000008185619 170323411 /nfs/dbraw/zinc/32/34/11/170323411.db2.gz DKQBKQBHSTYJTP-HNNXBMFYSA-N 1 0 292.448 3.612 50 0 CHAARO Cc1ccc2[nH]c(C)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008700917 170346777 /nfs/dbraw/zinc/34/67/77/170346777.db2.gz ZPVMQCJVXWHUDI-CYBMUJFWSA-N 1 0 284.403 3.789 50 0 CHAARO COc1ccc([C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000009047379 170362202 /nfs/dbraw/zinc/36/22/02/170362202.db2.gz LLBTWBHSCBMVQB-WBVHZDCISA-N 1 0 291.435 3.940 50 0 CHAARO CC(C)(C)[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000010028109 170395711 /nfs/dbraw/zinc/39/57/11/170395711.db2.gz DOIVRMWYLVMBES-UHFFFAOYSA-N 1 0 298.386 3.806 50 0 CHAARO CC(C)(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000014632336 170640548 /nfs/dbraw/zinc/64/05/48/170640548.db2.gz IYHQRTMRPDGNJQ-OAHLLOKOSA-N 1 0 261.409 3.895 50 0 CHAARO C[C@H]1CC[C@@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000019608938 170830658 /nfs/dbraw/zinc/83/06/58/170830658.db2.gz JZMSNXHBFBQKRJ-MGFNVVHASA-N 1 0 284.447 3.506 50 0 CHAARO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000020124413 171006347 /nfs/dbraw/zinc/00/63/47/171006347.db2.gz OQCRGGAWRHBOSL-OAHLLOKOSA-N 1 0 287.334 3.795 50 0 CHAARO Clc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1Cl ZINC000020221554 171082919 /nfs/dbraw/zinc/08/29/19/171082919.db2.gz NYEJRTCMRJBPRE-SNVBAGLBSA-N 1 0 274.191 3.904 50 0 CHAARO CCC(C)(C)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000020221690 171083191 /nfs/dbraw/zinc/08/31/91/171083191.db2.gz ROJRAOPRCVJMSC-UHFFFAOYSA-N 1 0 261.409 3.753 50 0 CHAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000020453047 171208445 /nfs/dbraw/zinc/20/84/45/171208445.db2.gz VKIFRHJNCNERMG-HOCLYGCPSA-N 1 0 273.424 3.508 50 0 CHAARO CC(C)[C@H](CC[NH2+]CCN(C)C)c1ccc(Cl)cc1 ZINC000020588562 171259767 /nfs/dbraw/zinc/25/97/67/171259767.db2.gz GSIMJBKUNUUXIX-INIZCTEOSA-N 1 0 282.859 3.621 50 0 CHAARO Cc1ccccc1CC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000020661412 171269504 /nfs/dbraw/zinc/26/95/04/171269504.db2.gz HGSIZIIWJNYCRQ-UHFFFAOYSA-N 1 0 279.387 3.546 50 0 CHAARO Cc1nc2ccccc2n1CCC[N@H+]1CCCC[C@H]1C ZINC000020857522 171276172 /nfs/dbraw/zinc/27/61/72/171276172.db2.gz PAENHBPIMHCBDP-CQSZACIVSA-N 1 0 271.408 3.609 50 0 CHAARO c1ccc(-c2ccc(C[NH2+]CCN3CCCC3)cc2)cc1 ZINC000021012669 171287899 /nfs/dbraw/zinc/28/78/99/171287899.db2.gz BZOOZRPFPNIXKI-UHFFFAOYSA-N 1 0 280.415 3.539 50 0 CHAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021720684 171320493 /nfs/dbraw/zinc/32/04/93/171320493.db2.gz CGXNITULAKXWEQ-MRXNPFEDSA-N 1 0 286.375 3.637 50 0 CHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000021720968 171320844 /nfs/dbraw/zinc/32/08/44/171320844.db2.gz XISRWSVBHOSFNN-HNNXBMFYSA-N 1 0 286.375 3.588 50 0 CHAARO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(F)cc1F ZINC000022204736 171372406 /nfs/dbraw/zinc/37/24/06/171372406.db2.gz RSJXFPVCFSEOMI-QGZVFWFLSA-N 1 0 298.336 3.990 50 0 CHAARO CC(C)=CCC/C(C)=C/C[NH2+]CCC1(O)CCCC1 ZINC000032511635 171731116 /nfs/dbraw/zinc/73/11/16/171731116.db2.gz ALJOELGRVXTGSR-CXUHLZMHSA-N 1 0 265.441 3.964 50 0 CHAARO CCn1c(C[NH2+][C@H](C)Cc2cccs2)nc2ccccc21 ZINC000038046811 174055766 /nfs/dbraw/zinc/05/57/66/174055766.db2.gz SVJIRRBDILJTHG-CYBMUJFWSA-N 1 0 299.443 3.839 50 0 CHAARO Cc1ccc(CNCC2([NH+]3CCCCC3)CCCCC2)o1 ZINC000038688833 174151885 /nfs/dbraw/zinc/15/18/85/174151885.db2.gz VAIPFXPHDHXLGL-UHFFFAOYSA-N 1 0 290.451 3.866 50 0 CHAARO COc1cc(C[N@@H+]2CCCC[C@H]2C)ccc1OC(F)F ZINC000039985823 174181626 /nfs/dbraw/zinc/18/16/26/174181626.db2.gz IGOJHVDSCRRAHG-LLVKDONJSA-N 1 0 285.334 3.671 50 0 CHAARO Cc1ccccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000040046915 174184356 /nfs/dbraw/zinc/18/43/56/174184356.db2.gz PLZHRZSVOWBXNO-HXUWFJFHSA-N 1 0 295.426 3.941 50 0 CHAARO CC[C@@H](C)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000042773207 174872037 /nfs/dbraw/zinc/87/20/37/174872037.db2.gz ZLCKKPQVNHWYOH-CQSZACIVSA-N 1 0 261.409 3.969 50 0 CHAARO CC[N@H+](Cc1c(C)noc1C)[C@@H](C)c1cccc(OC)c1 ZINC000045806158 175384680 /nfs/dbraw/zinc/38/46/80/175384680.db2.gz VSPJCTZJRGJSNR-ZDUSSCGKSA-N 1 0 288.391 3.883 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506069 175579869 /nfs/dbraw/zinc/57/98/69/175579869.db2.gz SPJCPFUATJOLRA-MRXNPFEDSA-N 1 0 274.339 3.768 50 0 CHAARO CC1(C)C[C@]1(C[NH2+]C1CCSCC1)c1ccccc1 ZINC000065406731 175731004 /nfs/dbraw/zinc/73/10/04/175731004.db2.gz PDUBCCUTMKJVRT-KRWDZBQOSA-N 1 0 275.461 3.840 50 0 CHAARO Cc1n[nH]cc1C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000071793555 176263895 /nfs/dbraw/zinc/26/38/95/176263895.db2.gz ROJVPKYPECPZTG-UHFFFAOYSA-N 1 0 297.324 3.762 50 0 CHAARO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)o1 ZINC000072167475 176331548 /nfs/dbraw/zinc/33/15/48/176331548.db2.gz RLDRDPLBQAZELB-MRXNPFEDSA-N 1 0 256.349 3.710 50 0 CHAARO Cc1cccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000072171311 176333219 /nfs/dbraw/zinc/33/32/19/176333219.db2.gz HDCFZSVTUBTMGU-DOTOQJQBSA-N 1 0 259.393 3.638 50 0 CHAARO FC(F)(F)c1ccc(C[N@H+](C[C@H]2CCCO2)C2CC2)cc1 ZINC000072274595 176356388 /nfs/dbraw/zinc/35/63/88/176356388.db2.gz MZMBEFHIOIXBJZ-OAHLLOKOSA-N 1 0 299.336 3.849 50 0 CHAARO CCO[C@@H]1C[C@H]([NH2+]Cc2cccs2)C12CCCCC2 ZINC000076021620 176877350 /nfs/dbraw/zinc/87/73/50/176877350.db2.gz YNAMHGMOSRGRJM-LSDHHAIUSA-N 1 0 279.449 3.966 50 0 CHAARO C[C@@H](c1ccc(-c2ccccc2C(N)=O)cc1)[NH+]1CCCC1 ZINC000534636353 328333695 /nfs/dbraw/zinc/33/36/95/328333695.db2.gz DFNYLMIIYAYKPZ-AWEZNQCLSA-N 1 0 294.398 3.609 50 0 CHAARO COc1ccnc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)n1 ZINC000534640118 328335733 /nfs/dbraw/zinc/33/57/33/328335733.db2.gz UZJQKNHVJQRJRF-CQSZACIVSA-N 1 0 297.402 3.699 50 0 CHAARO CCC[N@H+](C/C=C/c1ccccc1OC)CC1CC1 ZINC000008675472 327165794 /nfs/dbraw/zinc/16/57/94/327165794.db2.gz WMJZZNAJBGKVAI-SOFGYWHQSA-N 1 0 259.393 3.830 50 0 CHAARO Cc1cncc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000181845477 335788111 /nfs/dbraw/zinc/78/81/11/335788111.db2.gz UACHQMYBTBKXOZ-KRWDZBQOSA-N 1 0 294.398 3.926 50 0 CHAARO c1coc(-c2cc3cccc[n+]3cc2-c2ccco2)c1 ZINC000000384095 518203882 /nfs/dbraw/zinc/20/38/82/518203882.db2.gz OQSOIWRLPDEYPO-UHFFFAOYSA-N 1 0 262.288 3.945 50 0 CHAARO c1ccc2oc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)nc2c1 ZINC000052660916 526520402 /nfs/dbraw/zinc/52/04/02/526520402.db2.gz KSVLOICKWMICNZ-HIFRSBDPSA-N 1 0 270.376 3.982 50 0 CHAARO CCC(C)(C)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000019233129 528607474 /nfs/dbraw/zinc/60/74/74/528607474.db2.gz XPCSGDJILQAJRM-AWEZNQCLSA-N 1 0 261.409 3.753 50 0 CHAARO CCCCOc1cc(F)ccc1-c1ncccc1C[NH3+] ZINC000426726680 528654828 /nfs/dbraw/zinc/65/48/28/528654828.db2.gz BEZUXZYELACZPW-UHFFFAOYSA-N 1 0 274.339 3.525 50 0 CHAARO CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C1CC1 ZINC000195259581 528772685 /nfs/dbraw/zinc/77/26/85/528772685.db2.gz DLTSYZIWUDYPSQ-UHFFFAOYSA-N 1 0 288.435 3.541 50 0 CHAARO CC[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccncc1 ZINC000096478352 529204036 /nfs/dbraw/zinc/20/40/36/529204036.db2.gz SUYUUTMRVMSOHG-IAGOWNOFSA-N 1 0 270.351 3.949 50 0 CHAARO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(Cl)cc1Cl ZINC000019371046 567877864 /nfs/dbraw/zinc/87/78/64/567877864.db2.gz LGRBYCDQOCKYAU-CYBMUJFWSA-N 1 0 287.234 3.567 50 0 CHAARO CC[C@@H](C)[N@H+](Cc1nc(C)ccc1O)C1CCCC1 ZINC000055270203 570241724 /nfs/dbraw/zinc/24/17/24/570241724.db2.gz ARXKJOXNHINAGM-CYBMUJFWSA-N 1 0 262.397 3.639 50 0 CHAARO CC[NH+](CC)Cn1c(=S)oc2ccc(Cl)cc21 ZINC000003057177 570291959 /nfs/dbraw/zinc/29/19/59/570291959.db2.gz PKQVFLJOSKCQPK-UHFFFAOYSA-N 1 0 270.785 3.916 50 0 CHAARO c1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc2c1OCO2 ZINC000016663046 566877561 /nfs/dbraw/zinc/87/75/61/566877561.db2.gz FBTJXUABPIYEHS-LSDHHAIUSA-N 1 0 273.376 3.570 50 0 CHAARO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000012414203 566894354 /nfs/dbraw/zinc/89/43/54/566894354.db2.gz ZLYUPXNPZUWJIQ-OWCLPIDISA-N 1 0 297.483 3.596 50 0 CHAARO C[C@@H]1C[NH+](CCCCOc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000020167292 566905055 /nfs/dbraw/zinc/90/50/55/566905055.db2.gz WPIVZRDEHDUZOB-ZIAGYGMSSA-N 1 0 297.826 3.608 50 0 CHAARO Cc1ccccc1[C@@H]1[C@H](C)CCC[C@@H]1OCC[NH+](C)C ZINC000075273147 566940050 /nfs/dbraw/zinc/94/00/50/566940050.db2.gz MBPBUYNCPNBLHG-NJAFHUGGSA-N 1 0 275.436 3.845 50 0 CHAARO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)c1cnccn1 ZINC000241774118 566968205 /nfs/dbraw/zinc/96/82/05/566968205.db2.gz RNEWVPWFYIIHIL-VBNZEHGJSA-N 1 0 285.366 3.603 50 0 CHAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036096749 566995105 /nfs/dbraw/zinc/99/51/05/566995105.db2.gz FOANEFQEGDTICJ-HXUWFJFHSA-N 1 0 297.442 3.748 50 0 CHAARO Cc1scc(C[N@@H+]2CCc3ccccc3C2)c1C ZINC000006895121 567001885 /nfs/dbraw/zinc/00/18/85/567001885.db2.gz OFPZZXGMJQSTIQ-UHFFFAOYSA-N 1 0 257.402 3.923 50 0 CHAARO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000170087974 567005308 /nfs/dbraw/zinc/00/53/08/567005308.db2.gz DLYLPOIEHIYJGC-QWHCGFSZSA-N 1 0 291.366 3.907 50 0 CHAARO CSc1ccc(CN2CCn3cccc3[C@H]2C)cc1 ZINC000065529952 567009872 /nfs/dbraw/zinc/00/98/72/567009872.db2.gz KBJDNSROGWWJBC-CYBMUJFWSA-N 1 0 272.417 3.787 50 0 CHAARO c1nc(C2CC2)sc1C[NH2+]CCCNc1ccccc1 ZINC000089845699 567028157 /nfs/dbraw/zinc/02/81/57/567028157.db2.gz HKZHPVJWIKWPFM-UHFFFAOYSA-N 1 0 287.432 3.612 50 0 CHAARO CC[C@H]([NH2+]Cc1cccc(OC)c1)c1nc2ccccc2[nH]1 ZINC000076020711 567028524 /nfs/dbraw/zinc/02/85/24/567028524.db2.gz ZVXYXDUURNFWKV-HNNXBMFYSA-N 1 0 295.386 3.812 50 0 CHAARO CC[C@@](C)([NH2+]Cc1ccc(COC)o1)c1ccccc1 ZINC000089942115 567030864 /nfs/dbraw/zinc/03/08/64/567030864.db2.gz FFACNFSECRTZDK-QGZVFWFLSA-N 1 0 273.376 3.841 50 0 CHAARO C[C@H]([NH2+]CCc1cccc2cccnc21)c1ccco1 ZINC000089910123 567030977 /nfs/dbraw/zinc/03/09/77/567030977.db2.gz LGBGFIZBWHFYBZ-ZDUSSCGKSA-N 1 0 266.344 3.721 50 0 CHAARO Cc1csc(CN2CC=C(c3cccs3)CC2)n1 ZINC000088600373 567035802 /nfs/dbraw/zinc/03/58/02/567035802.db2.gz CVBCSFZUPWIQSF-UHFFFAOYSA-N 1 0 276.430 3.802 50 0 CHAARO Cc1cc(C)c(C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(C)c1 ZINC000170637229 567042587 /nfs/dbraw/zinc/04/25/87/567042587.db2.gz CBNNSWWTCKVURO-JQHSSLGASA-N 1 0 287.447 3.857 50 0 CHAARO CC(C)(C)SCC[NH2+][C@@H](c1nccs1)C1CC1 ZINC000252490264 567057809 /nfs/dbraw/zinc/05/78/09/567057809.db2.gz KNJWCLQVXXRIFK-LLVKDONJSA-N 1 0 270.467 3.716 50 0 CHAARO Cc1ccc([C@H](O)C[NH2+]Cc2cc(C)c(C)cc2C)cc1 ZINC000170646610 567063019 /nfs/dbraw/zinc/06/30/19/567063019.db2.gz RQNPIPBFNNWOLR-LJQANCHMSA-N 1 0 283.415 3.743 50 0 CHAARO CC[C@@H]([NH2+][C@H](C)c1ccc(C)s1)c1cnn(C)c1 ZINC000195540560 567069494 /nfs/dbraw/zinc/06/94/94/567069494.db2.gz BUAUKORTRXMEAI-DGCLKSJQSA-N 1 0 263.410 3.592 50 0 CHAARO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000195548989 567069866 /nfs/dbraw/zinc/06/98/66/567069866.db2.gz AALXTSRXEOVSJP-GUTXKFCHSA-N 1 0 297.489 3.762 50 0 CHAARO c1coc(C[NH2+]CCOc2cccc3ccccc32)c1 ZINC000002266588 567073571 /nfs/dbraw/zinc/07/35/71/567073571.db2.gz VOVTUAKMXQWTRM-UHFFFAOYSA-N 1 0 267.328 3.601 50 0 CHAARO C[C@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Br)ccc2C1 ZINC000146590396 567092260 /nfs/dbraw/zinc/09/22/60/567092260.db2.gz LTNYAOGNSQCGDM-XHDPSFHLSA-N 1 0 294.236 3.791 50 0 CHAARO Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@@H]3C)c2cc1C ZINC000002328724 567100599 /nfs/dbraw/zinc/10/05/99/567100599.db2.gz RYRCCGJUKBRKPO-AWEZNQCLSA-N 1 0 285.387 3.784 50 0 CHAARO Fc1cccc([C@@H]2NCc3ccccc3-n3cccc32)c1F ZINC000055211080 567111894 /nfs/dbraw/zinc/11/18/94/567111894.db2.gz XEZKNBOSTNZURO-SFHVURJKSA-N 1 0 296.320 3.948 50 0 CHAARO C[C@@H]1CC2=C(C[C@@H]1C[NH+]1CCN(C)CC1)C(C)(C)CCC2 ZINC000019703372 567124296 /nfs/dbraw/zinc/12/42/96/567124296.db2.gz DNZOJJXQVWDKTC-NVXWUHKLSA-N 1 0 290.495 3.787 50 0 biogenic CHAARO COc1cc2c(cc1OC)[C@H](/C=C/c1ccccc1)[NH2+]CC2 ZINC000020113672 567126661 /nfs/dbraw/zinc/12/66/61/567126661.db2.gz KGEKIHDPYHWCFB-IJDCCNJMSA-N 1 0 295.382 3.604 50 0 biogenic CHAARO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)cn1 ZINC000095421940 567131079 /nfs/dbraw/zinc/13/10/79/567131079.db2.gz QMPXRMXNGQRQTC-BLLLJJGKSA-N 1 0 285.391 3.508 50 0 CHAARO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](C)c2cccs2)cn1 ZINC000095422761 567132186 /nfs/dbraw/zinc/13/21/86/567132186.db2.gz VHAKQNZQLUUHTP-OLZOCXBDSA-N 1 0 277.437 3.980 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037898562 567137000 /nfs/dbraw/zinc/13/70/00/567137000.db2.gz XBBKJZBBNCYZPY-SECBINFHSA-N 1 0 283.297 3.588 50 0 CHAARO C[N@@H+]1CCC[C@@H](CC(O)(c2ccccc2)c2ccccc2)C1 ZINC000096028092 567138110 /nfs/dbraw/zinc/13/81/10/567138110.db2.gz DFENTWYMBKAKAX-KRWDZBQOSA-N 1 0 295.426 3.654 50 0 CHAARO Cc1nnc(C[N@@H+](CC(C)C)[C@@H](C)c2ccccc2C)o1 ZINC000284372398 567143348 /nfs/dbraw/zinc/14/33/48/567143348.db2.gz FBYVOVLHQQPURF-AWEZNQCLSA-N 1 0 287.407 3.906 50 0 CHAARO CC[NH+](CC)[C@@H](C)C(=O)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000027988319 567146422 /nfs/dbraw/zinc/14/64/22/567146422.db2.gz RWYVMAIKRGMMHS-SWOOZJHCSA-N 1 0 277.452 3.892 50 0 CHAARO O[C@@H](C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000003312237 567166960 /nfs/dbraw/zinc/16/69/60/567166960.db2.gz SWJSKHQZLJYDSG-FQEVSTJZSA-N 1 0 295.426 3.675 50 0 CHAARO Cc1ccc2c(C[N@H+]3CCC[C@H](C)C3)cc(=O)oc2c1C ZINC000003564931 567178575 /nfs/dbraw/zinc/17/85/75/567178575.db2.gz KITAMWKRJMWJMU-LBPRGKRZSA-N 1 0 285.387 3.642 50 0 CHAARO Cc1cnc(C[N@@H+](C)C[C@]2(c3ccccc3)CC2(C)C)cn1 ZINC000670469573 567194848 /nfs/dbraw/zinc/19/48/48/567194848.db2.gz LPZRSXSQLBIUOC-IBGZPJMESA-N 1 0 295.430 3.585 50 0 CHAARO C[C@H](c1ccc(-c2cnn3cccnc23)cc1)[NH+]1CCCC1 ZINC000067676929 567197856 /nfs/dbraw/zinc/19/78/56/567197856.db2.gz MPXSHSOIZGWURD-CQSZACIVSA-N 1 0 292.386 3.553 50 0 CHAARO CC(C)c1noc(CN2CCC[C@H]2c2cccs2)n1 ZINC000042356309 567204361 /nfs/dbraw/zinc/20/43/61/567204361.db2.gz PSMVXANUAOIITF-NSHDSACASA-N 1 0 277.393 3.592 50 0 CHAARO CCOc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000000060358 567817456 /nfs/dbraw/zinc/81/74/56/567817456.db2.gz JLECVQFDYUGISI-SFHVURJKSA-N 1 0 292.382 3.802 50 0 biogenic,in-vitro CHAARO CCOC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000000238360 567822974 /nfs/dbraw/zinc/82/29/74/567822974.db2.gz PNYKBUPGNZFXIU-UHFFFAOYSA-N 1 0 289.419 3.585 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000000280033 567823629 /nfs/dbraw/zinc/82/36/29/567823629.db2.gz ZMHMHLQVGOVBPL-CALCHBBNSA-N 1 0 286.463 3.629 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000000279676 567823670 /nfs/dbraw/zinc/82/36/70/567823670.db2.gz CRUMGYMOSHONKN-QGZVFWFLSA-N 1 0 286.463 3.568 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000000452829 567830942 /nfs/dbraw/zinc/83/09/42/567830942.db2.gz ZNGZMOAFFPQHLK-BETUJISGSA-N 1 0 294.826 3.647 50 0 CHAARO CCCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000034863335 567834322 /nfs/dbraw/zinc/83/43/22/567834322.db2.gz XHOPTTCMNJMEQV-INIZCTEOSA-N 1 0 274.452 3.819 50 0 CHAARO C[N@H+](CCc1ccccc1)Cc1c[nH]c2ccccc12 ZINC000000761361 567834625 /nfs/dbraw/zinc/83/46/25/567834625.db2.gz FXOVIBPIVLJUBH-UHFFFAOYSA-N 1 0 264.372 3.842 50 0 CHAARO Cc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000858778 567835165 /nfs/dbraw/zinc/83/51/65/567835165.db2.gz IGHXQGWOGRFIGM-UHFFFAOYSA-N 1 0 286.463 3.835 50 0 CHAARO CCc1ccc(C(=O)[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000001846199 567843406 /nfs/dbraw/zinc/84/34/06/567843406.db2.gz SQUNAWUMZGQQJD-AWEZNQCLSA-N 1 0 259.393 3.554 50 0 world CHAARO Cc1ccc([C@H](OCC[NH+](C)C)c2ccccc2)cc1 ZINC000002020959 567844086 /nfs/dbraw/zinc/84/40/86/567844086.db2.gz PJUYQWIDNIAHIZ-GOSISDBHSA-N 1 0 269.388 3.663 50 0 in-vitro CHAARO NC1=[NH+]C(c2ccccc2)=CC=C(c2ccccc2)N=N1 ZINC000002022111 567844094 /nfs/dbraw/zinc/84/40/94/567844094.db2.gz KEVVTXYCISWZBK-UHFFFAOYSA-N 1 0 274.327 3.849 50 0 CHAARO Cc1cc(C)c2c(C[N@H+]3CCCC[C@@H]3C)cc(=O)oc2c1 ZINC000002365321 567845425 /nfs/dbraw/zinc/84/54/25/567845425.db2.gz FOXGHKCOGKUNIR-AWEZNQCLSA-N 1 0 285.387 3.784 50 0 biogenic CHAARO Clc1ccccc1OCCC[NH+]1CCCCC1 ZINC000002497139 567845908 /nfs/dbraw/zinc/84/59/08/567845908.db2.gz UWDFQAZBNQZLFH-UHFFFAOYSA-N 1 0 253.773 3.595 50 0 CHAARO COc1ccc(CC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000002388704 567846072 /nfs/dbraw/zinc/84/60/72/567846072.db2.gz WQEWYGANJTXJNV-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO Cc1ccc(C)c(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)c1 ZINC000002514901 567846397 /nfs/dbraw/zinc/84/63/97/567846397.db2.gz PTYKPWJRKJSXDE-UHFFFAOYSA-N 1 0 291.394 3.906 50 0 CHAARO COc1cccc(C(=O)c2ccccc2C[NH+]2CCCC2)c1 ZINC000002515546 567846612 /nfs/dbraw/zinc/84/66/12/567846612.db2.gz YLFWCJLUZIUGDD-UHFFFAOYSA-N 1 0 295.382 3.522 50 0 CHAARO O=C(c1ccccc1)c1ccccc1C[NH+]1CCCC1 ZINC000002515541 567846663 /nfs/dbraw/zinc/84/66/63/567846663.db2.gz FZFJMVBYUDMOEM-UHFFFAOYSA-N 1 0 265.356 3.513 50 0 CHAARO CC[N@H+](CCC(=O)Nc1ccc(C)cc1)Cc1ccccc1 ZINC000002784490 567849646 /nfs/dbraw/zinc/84/96/46/567849646.db2.gz ZWWFSLRPBIEFMF-UHFFFAOYSA-N 1 0 296.414 3.846 50 0 CHAARO Cc1cc(C)cc(OCCCCC[NH+]2CCCC2)c1 ZINC000002894437 567850156 /nfs/dbraw/zinc/85/01/56/567850156.db2.gz SOURYEXBVLUAHT-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OC(C)C ZINC000002884514 567850381 /nfs/dbraw/zinc/85/03/81/567850381.db2.gz LDBFRMCDNLPCEF-UHFFFAOYSA-N 1 0 277.408 3.905 50 0 CHAARO C[C@H]1CN=C(Nc2ccc(Cl)c(Cl)c2)S1 ZINC000003227046 567852077 /nfs/dbraw/zinc/85/20/77/567852077.db2.gz YKMKYRMIBXLAKY-LURJTMIESA-N 1 0 261.177 3.897 50 0 CHAARO C[NH+](C)CCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000003683821 567853381 /nfs/dbraw/zinc/85/33/81/567853381.db2.gz DYBXWIXQOFYBQI-UHFFFAOYSA-N 1 0 298.411 3.768 50 0 CHAARO CCC[NH+](CCC)[C@@H]1CCc2c(F)ccc(O)c2C1 ZINC000003874894 567854364 /nfs/dbraw/zinc/85/43/64/567854364.db2.gz FNKBVTBXFLSTPB-GFCCVEGCSA-N 1 0 265.372 3.511 50 0 in-vivo CHAARO CCOc1ccc(C[NH2+]Cc2ccco2)cc1Cl ZINC000010475369 567861798 /nfs/dbraw/zinc/86/17/98/567861798.db2.gz PSLOSLSAQBXTLO-UHFFFAOYSA-N 1 0 265.740 3.622 50 0 CHAARO COc1ccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1C ZINC000012163597 567862358 /nfs/dbraw/zinc/86/23/58/567862358.db2.gz SHVADMUZIRGVLO-OAHLLOKOSA-N 1 0 297.398 3.787 50 0 CHAARO c1ccc(Cc2ccc(OCC3CC[NH2+]CC3)cc2)cc1 ZINC000012138674 567862429 /nfs/dbraw/zinc/86/24/29/567862429.db2.gz PZCHPXMRKKAYBS-UHFFFAOYSA-N 1 0 281.399 3.656 50 0 CHAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000012584653 567863272 /nfs/dbraw/zinc/86/32/72/567863272.db2.gz NDWCHZVKDYKROF-CYBMUJFWSA-N 1 0 289.444 3.856 50 0 CHAARO CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@@H]2[NH2+]CC1CC1 ZINC000012578904 567863344 /nfs/dbraw/zinc/86/33/44/567863344.db2.gz GXEMERWGDQMRFC-AWEZNQCLSA-N 1 0 287.451 3.787 50 0 CHAARO Clc1ccc(CC[NH2+]Cc2ccco2)c(Cl)c1 ZINC000013718262 567867449 /nfs/dbraw/zinc/86/74/49/567867449.db2.gz FSKMDOLMJZWHFX-UHFFFAOYSA-N 1 0 270.159 3.919 50 0 CHAARO Clc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000014217343 567868784 /nfs/dbraw/zinc/86/87/84/567868784.db2.gz ZXLRSCHFXFKVSQ-UHFFFAOYSA-N 1 0 257.764 3.898 50 0 CHAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000032819262 567868977 /nfs/dbraw/zinc/86/89/77/567868977.db2.gz XTNGALBJROLALQ-OAHLLOKOSA-N 1 0 277.371 3.723 50 0 CHAARO C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000015356896 567870549 /nfs/dbraw/zinc/87/05/49/567870549.db2.gz ROSYLRWBBAMJHH-UHFFFAOYSA-N 1 0 255.239 3.685 50 0 CHAARO c1c(-c2ccccc2)n2c([n+]1-c1ccccc1)SCCC2 ZINC000015973864 567871719 /nfs/dbraw/zinc/87/17/19/567871719.db2.gz QTPUSWQZVLYKQQ-UHFFFAOYSA-N 1 0 293.415 3.928 50 0 CHAARO Cc1nccn1CCCCOc1ccc(Cl)cc1 ZINC000016247750 567872251 /nfs/dbraw/zinc/87/22/51/567872251.db2.gz HRCJSNNEDGJCJZ-UHFFFAOYSA-N 1 0 264.756 3.704 50 0 CHAARO CC[C@H](C)c1ccccc1OCCCn1ccnc1 ZINC000016193397 567872269 /nfs/dbraw/zinc/87/22/69/567872269.db2.gz QRJSKSCVCZQPAQ-AWEZNQCLSA-N 1 0 258.365 3.866 50 0 CHAARO Fc1cccc(CN2CCc3c4ccccc4[nH]c3C2)c1 ZINC000019537808 567877957 /nfs/dbraw/zinc/87/79/57/567877957.db2.gz REKPSISSGGDYBJ-UHFFFAOYSA-N 1 0 280.346 3.865 50 0 CHAARO CCn1c2ccccc2c2cc(CN3CCOCC3)ccc21 ZINC000019524269 567878106 /nfs/dbraw/zinc/87/81/06/567878106.db2.gz YWOGDWYFZJSAOB-UHFFFAOYSA-N 1 0 294.398 3.647 50 0 CHAARO CCCCCOc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000019737633 567878302 /nfs/dbraw/zinc/87/83/02/567878302.db2.gz NYNMUKFRSYRCOR-UHFFFAOYSA-N 1 0 284.403 3.940 50 0 CHAARO CC(C)(C)c1ccccc1OCC[NH2+]Cc1cccnc1 ZINC000019737638 567878358 /nfs/dbraw/zinc/87/83/58/567878358.db2.gz BRYLMYUZWFQJSX-UHFFFAOYSA-N 1 0 284.403 3.548 50 0 CHAARO COc1ccccc1C[NH2+]CCc1cccc(Cl)c1 ZINC000019720918 567878447 /nfs/dbraw/zinc/87/84/47/567878447.db2.gz VLPJTOPGPHRBKD-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@@H]1C1CCCCC1 ZINC000019688799 567878587 /nfs/dbraw/zinc/87/85/87/567878587.db2.gz OUXYMBSSCUANTF-MRXNPFEDSA-N 1 0 254.377 3.935 50 0 CHAARO C[n+]1ccc(/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000019865730 567879486 /nfs/dbraw/zinc/87/94/86/567879486.db2.gz CPOCPAYGOVJKIF-AATRIKPKSA-N 1 0 265.163 3.988 50 0 CHAARO Fc1ccc(CC[NH2+]Cc2ccccc2Cl)cc1 ZINC000019871917 567879815 /nfs/dbraw/zinc/87/98/15/567879815.db2.gz UTKHBYYNDIUBFF-UHFFFAOYSA-N 1 0 263.743 3.811 50 0 CHAARO C[C@@H]1CCC[N@H+](Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000004988891 567888270 /nfs/dbraw/zinc/88/82/70/567888270.db2.gz FLYWGQHPSUSCJU-LLVKDONJSA-N 1 0 291.778 3.678 50 0 CHAARO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000035093062 567889062 /nfs/dbraw/zinc/88/90/62/567889062.db2.gz ZLYUPXNPZUWJIQ-OAGGEKHMSA-N 1 0 297.483 3.596 50 0 CHAARO Fc1cc(Br)ccc1C[NH2+]C1CCCC1 ZINC000036668011 567889643 /nfs/dbraw/zinc/88/96/43/567889643.db2.gz DUAPGRXWOJXAKP-UHFFFAOYSA-N 1 0 272.161 3.620 50 0 CHAARO C[NH+](C)CCCN1Cc2ccccc2Cc2ccccc21 ZINC000000001972 567890224 /nfs/dbraw/zinc/89/02/24/567890224.db2.gz UKCVXGBHVGMFCN-UHFFFAOYSA-N 1 0 280.415 3.549 50 0 in-man CHAARO Cc1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(C)n1 ZINC000119225355 567891157 /nfs/dbraw/zinc/89/11/57/567891157.db2.gz AXRIGSGSQBUGEA-UHFFFAOYSA-N 1 0 293.326 3.606 50 0 CHAARO Cc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042772199 567891700 /nfs/dbraw/zinc/89/17/00/567891700.db2.gz NXNZKDQUPWVSKJ-GFCCVEGCSA-N 1 0 298.224 3.669 50 0 CHAARO Clc1cc(-c2ccccc2)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042775000 567892089 /nfs/dbraw/zinc/89/20/89/567892089.db2.gz YBVOBYCKZFVIGU-CQSZACIVSA-N 1 0 273.763 3.748 50 0 CHAARO Clc1cccc(C[NH2+]CCOc2ccccn2)c1Cl ZINC000057353335 567895060 /nfs/dbraw/zinc/89/50/60/567895060.db2.gz POEADELEHOVJTK-UHFFFAOYSA-N 1 0 297.185 3.557 50 0 CHAARO C[N@@H+]1CCCC[C@@H]1Cn1cnc(-c2ccccc2)c1C1CC1 ZINC000065406107 567899312 /nfs/dbraw/zinc/89/93/12/567899312.db2.gz SSVOIILOKQILHB-QGZVFWFLSA-N 1 0 295.430 3.912 50 0 CHAARO Cc1ccccc1-c1cccc([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065488562 567899482 /nfs/dbraw/zinc/89/94/82/567899482.db2.gz NYVPJLRRQHNJGA-SFHVURJKSA-N 1 0 289.382 3.620 50 0 CHAARO C[C@H](c1ccc(-c2ccnc(N)c2)cc1)[NH+]1CCCCC1 ZINC000065465272 567899627 /nfs/dbraw/zinc/89/96/27/567899627.db2.gz VHHNYXIJMRKBJG-CQSZACIVSA-N 1 0 281.403 3.878 50 0 CHAARO Cc1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)ccn1 ZINC000071754062 567901819 /nfs/dbraw/zinc/90/18/19/567901819.db2.gz RGFZPNJHOIQTKC-GOSISDBHSA-N 1 0 296.414 3.837 50 0 CHAARO CCn1cc(C[N@@H+]2CCCC[C@H]2c2cccc(OC)c2)cn1 ZINC000072430815 567902374 /nfs/dbraw/zinc/90/23/74/567902374.db2.gz KSAGROCOYNLNJM-SFHVURJKSA-N 1 0 299.418 3.639 50 0 CHAARO C[N@@H+]1CCC[C@H]1c1nc(-c2cccc3ccccc32)no1 ZINC000097102695 567904497 /nfs/dbraw/zinc/90/44/97/567904497.db2.gz GVOOZCDCFWAVJA-HNNXBMFYSA-N 1 0 279.343 3.657 50 0 CHAARO c1cn(CC2CC2)c(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000082107305 567906933 /nfs/dbraw/zinc/90/69/33/567906933.db2.gz BRWFLVMYSVPHJJ-UHFFFAOYSA-N 1 0 295.430 3.673 50 0 CHAARO COc1ccc(-c2ccc(C[NH+]3CCCC3)cn2)c(C)c1 ZINC000097468662 567910381 /nfs/dbraw/zinc/91/03/81/567910381.db2.gz AMGBAVVRVCEEAB-UHFFFAOYSA-N 1 0 282.387 3.661 50 0 CHAARO CC[C@]1(C)C[C@](CC[NH3+])(c2ccc(C)cc2)CCO1 ZINC000000171678 567924487 /nfs/dbraw/zinc/92/44/87/567924487.db2.gz LSXKXJPDFZUXNV-IAGOWNOFSA-N 1 0 261.409 3.561 50 0 biogenic CHAARO FC(F)(F)c1cccc([C@@H]([NH2+]C[C@H]2CCOC2)C2CC2)c1 ZINC000408513767 567927689 /nfs/dbraw/zinc/92/76/89/567927689.db2.gz CCMDVFWPCJJSLL-ABAIWWIYSA-N 1 0 299.336 3.783 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]1C[C@@H]2CCCC[C@H]2[C@H]31 ZINC000247937539 567928417 /nfs/dbraw/zinc/92/84/17/567928417.db2.gz HKCFIODYAGNXJQ-BBEJJTJUSA-N 1 0 296.414 3.896 50 0 biogenic CHAARO Cc1nn(C)cc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000426484430 567929019 /nfs/dbraw/zinc/92/90/19/567929019.db2.gz KFCFIRSQCGYXGT-AWEZNQCLSA-N 1 0 269.392 3.552 50 0 CHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000000238833 567935660 /nfs/dbraw/zinc/93/56/60/567935660.db2.gz MUFRKDZYGUPQFZ-KRWDZBQOSA-N 1 0 289.419 3.585 50 0 CHAARO COc1cccc(CC[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000000276968 567935949 /nfs/dbraw/zinc/93/59/49/567935949.db2.gz BNLNQIXHDCUHJS-UHFFFAOYSA-N 1 0 285.431 3.652 50 0 CHAARO Cc1cc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)on1 ZINC000174808136 567940263 /nfs/dbraw/zinc/94/02/63/567940263.db2.gz QQRAAKXDFAADQW-UHFFFAOYSA-N 1 0 297.358 3.504 50 0 CHAARO CCC1CCC([NH2+]CCc2ccc(OC)c(OC)c2)CC1 ZINC000019902420 567945059 /nfs/dbraw/zinc/94/50/59/567945059.db2.gz RXZHTEVPXPPEEB-UHFFFAOYSA-N 1 0 291.435 3.805 50 0 CHAARO CCc1ccc(C[NH+]2CCC(c3cccc(O)c3)CC2)nc1 ZINC000215893309 567947363 /nfs/dbraw/zinc/94/73/63/567947363.db2.gz NSSKMJRZACQYET-UHFFFAOYSA-N 1 0 296.414 3.729 50 0 CHAARO COc1c(C)cc(C)cc1C[NH+]1CCC(F)(F)CC1 ZINC000216317499 567947470 /nfs/dbraw/zinc/94/74/70/567947470.db2.gz QYEFEPMUBVYABH-UHFFFAOYSA-N 1 0 269.335 3.543 50 0 CHAARO c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000025259506 567949121 /nfs/dbraw/zinc/94/91/21/567949121.db2.gz WEWFKFBBCLGFDP-QGZVFWFLSA-N 1 0 295.382 3.625 50 0 CHAARO CC[C@H](c1ccc(OC)cc1)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000001595245 567956021 /nfs/dbraw/zinc/95/60/21/567956021.db2.gz ISFKIIUDJLSBCL-MSOLQXFVSA-N 1 0 285.387 3.897 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000025313238 570230165 /nfs/dbraw/zinc/23/01/65/570230165.db2.gz HAKRYOXOWKFMBE-SJKOYZFVSA-N 1 0 298.386 3.651 50 0 CHAARO Cc1cc(C[NH+]2CCC(c3ccc(F)cc3)CC2)on1 ZINC000083423386 570252503 /nfs/dbraw/zinc/25/25/03/570252503.db2.gz SBGPKISKBOUJAC-UHFFFAOYSA-N 1 0 274.339 3.502 50 0 CHAARO CCOc1ccc(OCCCC[NH2+]C(C)(C)C)cc1 ZINC000003461604 570278984 /nfs/dbraw/zinc/27/89/84/570278984.db2.gz HBIMEUUFNVKLQX-UHFFFAOYSA-N 1 0 265.397 3.632 50 0 CHAARO C[C@H](NC(=O)CC1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000018048175 570282684 /nfs/dbraw/zinc/28/26/84/570282684.db2.gz DKNRTXYXSGPMFG-AWEZNQCLSA-N 1 0 297.402 3.630 50 0 CHAARO COc1ccc2cc(C[NH2+]Cc3ccc(C)nc3)ccc2c1 ZINC000047825973 570295870 /nfs/dbraw/zinc/29/58/70/570295870.db2.gz UMGQWBXKLCVZFL-UHFFFAOYSA-N 1 0 292.382 3.842 50 0 CHAARO CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000048343678 570297735 /nfs/dbraw/zinc/29/77/35/570297735.db2.gz DGKZDNSILYXDDX-AWEZNQCLSA-N 1 0 271.364 3.501 50 0 CHAARO COC[C@@H]1CC[N@H+](Cc2oc3ccc(C)cc3c2C)C1 ZINC000215695716 570303597 /nfs/dbraw/zinc/30/35/97/570303597.db2.gz RKCOGEIVCAASDP-CQSZACIVSA-N 1 0 273.376 3.518 50 0 CHAARO Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000217186244 570306906 /nfs/dbraw/zinc/30/69/06/570306906.db2.gz ZYYBTJCNKSLEIP-UHFFFAOYSA-N 1 0 266.388 3.648 50 0 CHAARO CC1(C)[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)C[C@@H]1c1ccccc1 ZINC000222271697 570312277 /nfs/dbraw/zinc/31/22/77/570312277.db2.gz BHQPCLLXCJPZFZ-AKHDSKFASA-N 1 0 298.474 3.785 50 0 CHAARO Cc1ccc([C@@H](OCC[NH+](C)C)c2ccccc2C)cc1 ZINC000001999766 570326724 /nfs/dbraw/zinc/32/67/24/570326724.db2.gz BYKJZUIFODXLEW-LJQANCHMSA-N 1 0 283.415 3.971 50 0 CHAARO Cc1ncccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000334435030 570328105 /nfs/dbraw/zinc/32/81/05/570328105.db2.gz YUPCQDFNDOALNZ-LBPRGKRZSA-N 1 0 272.314 3.553 50 0 CHAARO Clc1cccc(N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000022591405 570335453 /nfs/dbraw/zinc/33/54/53/570335453.db2.gz MLSFHUXICJXGDL-UHFFFAOYSA-N 1 0 292.835 3.724 50 0 CHAARO Cc1cccc(C[NH+]2CCc3ccccc3CC2)c1 ZINC000084210719 570336772 /nfs/dbraw/zinc/33/67/72/570336772.db2.gz MKNKSDIJIPQKDM-UHFFFAOYSA-N 1 0 251.373 3.596 50 0 CHAARO CNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C(C)C)cc1 ZINC000074230029 570338168 /nfs/dbraw/zinc/33/81/68/570338168.db2.gz NMLIOAFOYQHIOH-SFHVURJKSA-N 1 0 296.414 3.533 50 0 CHAARO CC(C)[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000240551652 570372414 /nfs/dbraw/zinc/37/24/14/570372414.db2.gz GVDOJAIWRYDSMD-ZVZYQTTQSA-N 1 0 272.436 3.599 50 0 CHAARO CC(C)c1ccc2oc(=O)cc(C[NH+]3CCCCC3)c2c1 ZINC000002117710 570373593 /nfs/dbraw/zinc/37/35/93/570373593.db2.gz RLUKXMWBYJBRHH-UHFFFAOYSA-N 1 0 285.387 3.902 50 0 biogenic CHAARO CC[C@H]([NH2+]Cc1sccc1Cl)c1c(C)nn(C)c1C ZINC000253393180 570384580 /nfs/dbraw/zinc/38/45/80/570384580.db2.gz VUHMCTPEZLXWBF-LBPRGKRZSA-N 1 0 297.855 3.993 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[N@@H+](C)CC[C@@H](C)O)o1 ZINC000093481233 570395937 /nfs/dbraw/zinc/39/59/37/570395937.db2.gz NFCKAVWELHQLGA-GFCCVEGCSA-N 1 0 291.366 3.597 50 0 CHAARO CC(C)(C)c1cc(C[NH2+]CCCc2ccccc2F)[nH]n1 ZINC000952965735 614048033 /nfs/dbraw/zinc/04/80/33/614048033.db2.gz AFZJBRUFQMTDOZ-UHFFFAOYSA-N 1 0 289.398 3.569 50 0 CHAARO CC[N@@H+](Cc1ccc(C)c2ncccc12)C[C@H]1CCCCO1 ZINC000952987299 615068132 /nfs/dbraw/zinc/06/81/32/615068132.db2.gz LFGFZGAQDVIGOX-QGZVFWFLSA-N 1 0 298.430 3.934 50 0 CHAARO CCCC[NH2+]CCOCCOc1ccc(C(C)C)cc1 ZINC000005596702 1123849994 /nfs/dbraw/zinc/84/99/94/1123849994.db2.gz ZTZDAAWWSBBQQM-UHFFFAOYSA-N 1 0 279.424 3.595 50 0 CHAARO O=C(C[NH+]1CCCCC1)n1c2ccccc2c2ccccc21 ZINC000054097167 1125652490 /nfs/dbraw/zinc/65/24/90/1125652490.db2.gz WKUAHDAAJATNGQ-UHFFFAOYSA-N 1 0 292.382 3.921 50 0 CHAARO COc1ccc(C[NH2+]C2CCCC2)cc1OC(C)C ZINC000032113237 1127278386 /nfs/dbraw/zinc/27/83/86/1127278386.db2.gz REXHJZSRAZIHFA-UHFFFAOYSA-N 1 0 263.381 3.515 50 0 CHAARO Cc1ccc(-c2ccc3[nH]c4c(c3c2)CCCC4=O)c(N)n1 ZINC000032511779 1127918305 /nfs/dbraw/zinc/91/83/05/1127918305.db2.gz ABOZZLMRQFMJKF-UHFFFAOYSA-N 1 0 291.354 3.640 50 0 CHAARO CC(C)c1noc(CC[NH2+][C@@H](C)c2cccc(Cl)c2)n1 ZINC000089577908 1128336999 /nfs/dbraw/zinc/33/69/99/1128336999.db2.gz GNEPOBSASDPYIK-NSHDSACASA-N 1 0 293.798 3.740 50 0 CHAARO CCOC[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000072976362 1117858042 /nfs/dbraw/zinc/85/80/42/1117858042.db2.gz NMCVFPWZULGJSC-CYBMUJFWSA-N 1 0 290.432 3.545 50 0 CHAARO CC[N+](CC)=c1scc(-c2ccc(Cl)cc2)s1 ZINC000015636144 1118002638 /nfs/dbraw/zinc/00/26/38/1118002638.db2.gz VIJUMKKLYBNBHK-UHFFFAOYSA-N 1 0 284.857 3.942 50 0 CHAARO CCCC[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000002489752 1118568467 /nfs/dbraw/zinc/56/84/67/1118568467.db2.gz RJWXHDVUILDEHU-UHFFFAOYSA-N 1 0 254.377 3.884 50 0 CHAARO CCCn1c2ccccc2nc1NCCC[NH+](CC)CC ZINC000101008333 1118932928 /nfs/dbraw/zinc/93/29/28/1118932928.db2.gz JZLUQBXYIQPCSN-UHFFFAOYSA-N 1 0 288.439 3.590 50 0 CHAARO Cc1noc(C)c1[C@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000194519906 1119229245 /nfs/dbraw/zinc/22/92/45/1119229245.db2.gz PAFSCRLDADODMS-QWHCGFSZSA-N 1 0 272.392 3.788 50 0 CHAARO Cc1cc(C)c(N2Cc3ccccc3C2=[NH2+])c(C)c1 ZINC000003111506 1119624348 /nfs/dbraw/zinc/62/43/48/1119624348.db2.gz MZSXBQOKWYMTHZ-UHFFFAOYSA-N 1 0 250.345 3.957 50 0 CHAARO Cc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)o1 ZINC000023281690 1119770237 /nfs/dbraw/zinc/77/02/37/1119770237.db2.gz JSHBASOCGXYEGZ-UHFFFAOYSA-N 1 0 284.403 3.527 50 0 CHAARO Cc1ccc(CN(C)Cc2cnc(-c3ccccc3)nc2)o1 ZINC000613383297 1119913667 /nfs/dbraw/zinc/91/36/67/1119913667.db2.gz MTBBJENGMNLNSX-UHFFFAOYSA-N 1 0 293.370 3.677 50 0 CHAARO Oc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000000199371 1119915656 /nfs/dbraw/zinc/91/56/56/1119915656.db2.gz HEDRMZYUAVIIHC-UHFFFAOYSA-N 1 0 281.399 3.847 50 0 CHAARO C[NH2+]CCCN1c2ccccc2CCc2ccccc21 ZINC000001530611 1119984544 /nfs/dbraw/zinc/98/45/44/1119984544.db2.gz HCYAFALTSJYZDH-UHFFFAOYSA-N 1 0 266.388 3.533 50 0 fda CHAARO C[C@H](CCc1ccc(O)cc1)[N@H+](C)CCc1ccccc1 ZINC000002499387 1119989200 /nfs/dbraw/zinc/98/92/00/1119989200.db2.gz KJAVDHZFEIJNMJ-MRXNPFEDSA-N 1 0 283.415 3.888 50 0 CHAARO c1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000003683502 1120031457 /nfs/dbraw/zinc/03/14/57/1120031457.db2.gz FMAGYMJFOPXIGI-UHFFFAOYSA-N 1 0 272.436 3.527 50 0 CHAARO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c2ccccc2n1 ZINC000284825715 1120200608 /nfs/dbraw/zinc/20/06/08/1120200608.db2.gz QBYDOBIAFNJPSB-MOPGFXCFSA-N 1 0 296.414 3.687 50 0 CHAARO CC(C)CC(=O)N1CCCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000257196453 1120315893 /nfs/dbraw/zinc/31/58/93/1120315893.db2.gz YGGDAXGBNSNAIJ-QGZVFWFLSA-N 1 0 294.483 3.536 50 0 CHAARO CC[C@@H]1C[N@H+](CC(C)(C)C)Cc2cc(OC)ccc2O1 ZINC000012452641 1121027345 /nfs/dbraw/zinc/02/73/45/1121027345.db2.gz KVWVCYXRKKLTJR-CQSZACIVSA-N 1 0 277.408 3.714 50 0 CHAARO Cc1ncsc1C[NH2+][C@H](C)CC[C@@H]1CC1(Cl)Cl ZINC000888098616 1121086339 /nfs/dbraw/zinc/08/63/39/1121086339.db2.gz LYWUKFHPZQCABQ-PSASIEDQSA-N 1 0 293.263 3.904 50 0 CHAARO Cc1cc(NC[C@]2(C)CCCO2)c2ccccc2[nH+]1 ZINC000094804719 1121231006 /nfs/dbraw/zinc/23/10/06/1121231006.db2.gz UWKKCMTUHWUQBU-INIZCTEOSA-N 1 0 256.349 3.524 50 0 CHAARO Cc1cccc([C@H](C)[NH+]2CCC(c3ncco3)CC2)c1 ZINC000864097167 1128978231 /nfs/dbraw/zinc/97/82/31/1128978231.db2.gz PCMDOJHUSCRKKB-AWEZNQCLSA-N 1 0 270.376 3.924 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000038011115 1121913335 /nfs/dbraw/zinc/91/33/35/1121913335.db2.gz PHOWRRKAQZYGHH-SNVBAGLBSA-N 1 0 283.297 3.588 50 0 CHAARO C[N@@H+]1CCC[C@H](CNc2ccc3cc(Cl)ccc3n2)C1 ZINC000823770585 1129270944 /nfs/dbraw/zinc/27/09/44/1129270944.db2.gz CDUHHLUQWDCLSU-GFCCVEGCSA-N 1 0 289.810 3.642 50 0 CHAARO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c2ccccc21 ZINC000065421399 1129617974 /nfs/dbraw/zinc/61/79/74/1129617974.db2.gz GWZMSTKWOOJNKY-IBGZPJMESA-N 1 0 291.398 3.910 50 0 CHAARO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000098052808 1129642452 /nfs/dbraw/zinc/64/24/52/1129642452.db2.gz LNNPJIYSOMRKNJ-HAZIXKIPSA-N 1 0 295.430 3.762 50 0 CHAARO O[C@]12CCCC[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)[NH2+]CC2 ZINC000000758956 1129770763 /nfs/dbraw/zinc/77/07/63/1129770763.db2.gz SSBAEOONJVCWQK-ZNMIVQPWSA-N 1 0 299.336 3.661 50 0 CHAARO [NH3+]C1(c2ccccc2Br)CCCCC1 ZINC000055336241 1129778924 /nfs/dbraw/zinc/77/89/24/1129778924.db2.gz MZZUFACOJJPFMT-UHFFFAOYSA-N 1 0 254.171 3.567 50 0 CHAARO Cc1ccc(NC(=O)C[N@@H+](C)C2CCCCC2)cc1C ZINC000007786519 230370142 /nfs/dbraw/zinc/37/01/42/230370142.db2.gz QJVIVHRUSYCVRW-UHFFFAOYSA-N 1 0 274.408 3.506 50 0 CHAARO C[C@H](c1ccc(-c2[nH]nc3ncccc32)cc1)[NH+]1CCCC1 ZINC000426511850 230421854 /nfs/dbraw/zinc/42/18/54/230421854.db2.gz XSNAAUHRMNONOC-CYBMUJFWSA-N 1 0 292.386 3.782 50 0 CHAARO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000095968955 185047372 /nfs/dbraw/zinc/04/73/72/185047372.db2.gz NYDHJPKWLPNRSI-CABCVRRESA-N 1 0 286.419 3.837 50 0 CHAARO CCc1cnc(CC[NH2+][C@H](C)Cc2ccsc2)s1 ZINC000095968695 185047853 /nfs/dbraw/zinc/04/78/53/185047853.db2.gz NXQWWBMOUAFEIX-LLVKDONJSA-N 1 0 280.462 3.530 50 0 CHAARO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](C)C1 ZINC000106638864 186129811 /nfs/dbraw/zinc/12/98/11/186129811.db2.gz HYVYTRFOOREVKP-UONOGXRCSA-N 1 0 282.387 3.509 50 0 CHAARO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000110641665 186309144 /nfs/dbraw/zinc/30/91/44/186309144.db2.gz NMNCZIMFJFKNIZ-VXGBXAGGSA-N 1 0 282.453 3.688 50 0 CHAARO CC(C)C[C@@H]([NH2+]CCc1ccccc1O)c1ccccn1 ZINC000154921757 188169933 /nfs/dbraw/zinc/16/99/33/188169933.db2.gz GPTRCIPXPCDRTF-QGZVFWFLSA-N 1 0 284.403 3.707 50 0 CHAARO Cc1cc(C)[n+](-c2ccc(Br)cc2)c(C)c1 ZINC000002532622 261269782 /nfs/dbraw/zinc/26/97/82/261269782.db2.gz XNMVGZRMYRRIRW-UHFFFAOYSA-N 1 0 277.185 3.651 50 0 CHAARO C[n+]1ccc(/C=C/c2ccccc2F)c2ccccc21 ZINC000000206139 169574148 /nfs/dbraw/zinc/57/41/48/169574148.db2.gz OQNJPNLTJAXZJC-ZHACJKMWSA-N 1 0 264.323 3.974 50 0 CHAARO C[NH2+][C@@H](C)Cc1ccccc1Sc1ccc(O)cc1 ZINC000000347801 169613730 /nfs/dbraw/zinc/61/37/30/169613730.db2.gz YNTKLVYGQBWKPR-LBPRGKRZSA-N 1 0 273.401 3.694 50 0 CHAARO Cc1ccc2ncc(CC[NH2+]Cc3ccccc3)cc2c1 ZINC000521398104 256853695 /nfs/dbraw/zinc/85/36/95/256853695.db2.gz FNELHJUUVUORCJ-UHFFFAOYSA-N 1 0 276.383 3.876 50 0 CHAARO Clc1ccc(SCCC2CC[NH2+]CC2)cc1 ZINC000095908637 256881896 /nfs/dbraw/zinc/88/18/96/256881896.db2.gz PHOIQXJACJABNF-UHFFFAOYSA-N 1 0 255.814 3.822 50 0 CHAARO CCSC[C@H](C)[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000067790735 134940321 /nfs/dbraw/zinc/94/03/21/134940321.db2.gz OBGGIZBBQZWYFX-HNNXBMFYSA-N 1 0 292.492 3.695 50 0 CHAARO CC[C@@H](C)c1ccccc1OCCCC[NH2+]CCOC ZINC000003000514 169848380 /nfs/dbraw/zinc/84/83/80/169848380.db2.gz LSEBDPGBFMPVPB-OAHLLOKOSA-N 1 0 279.424 3.595 50 0 CHAARO COCCC[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000003000758 169848435 /nfs/dbraw/zinc/84/84/35/169848435.db2.gz CQYJYBWXOHYVAR-UHFFFAOYSA-N 1 0 299.414 3.749 50 0 CHAARO COCC[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003003590 169849322 /nfs/dbraw/zinc/84/93/22/169849322.db2.gz GZNMGOVWUNLYDG-UHFFFAOYSA-N 1 0 299.842 3.642 50 0 CHAARO CCCC[NH2+]CCOc1ccc(C)cc1Br ZINC000003003421 169849435 /nfs/dbraw/zinc/84/94/35/169849435.db2.gz GAAWLUKRXKUPJS-UHFFFAOYSA-N 1 0 286.213 3.526 50 0 CHAARO C[C@@H](C[NH2+]C[C@H]1CCCO1)COc1cccc2ccccc21 ZINC000004811912 170021337 /nfs/dbraw/zinc/02/13/37/170021337.db2.gz VOHCIXMVPQJCBT-DOTOQJQBSA-N 1 0 299.414 3.623 50 0 CHAARO C[NH+](C)CCCOc1ccccc1OCc1ccccc1 ZINC000004843196 170028981 /nfs/dbraw/zinc/02/89/81/170028981.db2.gz WMRDUOVFJUGEPC-UHFFFAOYSA-N 1 0 285.387 3.596 50 0 CHAARO C[N@H+](CCOc1ccc(Cl)cc1)C1CCCCC1 ZINC000004978647 170048008 /nfs/dbraw/zinc/04/80/08/170048008.db2.gz DRAXWJLABGEVNK-UHFFFAOYSA-N 1 0 267.800 3.983 50 0 CHAARO COc1ccc(CC[NH2+][C@H](C)CCc2ccc(O)cc2)cc1 ZINC000004989295 170049940 /nfs/dbraw/zinc/04/99/40/170049940.db2.gz NWPBZZZSRRSPMT-OAHLLOKOSA-N 1 0 299.414 3.554 50 0 CHAARO C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000004989342 170050102 /nfs/dbraw/zinc/05/01/02/170050102.db2.gz CAKPKLPFTPLQEJ-UKRRQHHQSA-N 1 0 256.393 3.879 50 0 CHAARO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000004997015 170052095 /nfs/dbraw/zinc/05/20/95/170052095.db2.gz VSGLJOVBAUZFSY-CJNGLKHVSA-N 1 0 256.393 3.879 50 0 CHAARO Cc1cc(C)c(OCC[NH+]2CCCCC2)c(Cl)c1 ZINC000005023799 170057141 /nfs/dbraw/zinc/05/71/41/170057141.db2.gz PNBKSGYLIJSISN-UHFFFAOYSA-N 1 0 267.800 3.822 50 0 CHAARO Cc1ccc2c(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc(=O)oc2c1 ZINC000005163216 170072630 /nfs/dbraw/zinc/07/26/30/170072630.db2.gz GYQYYSLJMFFRTC-OKILXGFUSA-N 1 0 285.387 3.579 50 0 biogenic CHAARO c1ccc(-c2ccc(SCC[NH+]3CCCCC3)nn2)cc1 ZINC000005410518 170095342 /nfs/dbraw/zinc/09/53/42/170095342.db2.gz LBGOFHYKRZHFRX-UHFFFAOYSA-N 1 0 299.443 3.722 50 0 CHAARO CCOc1ccccc1OC[C@H](C[NH+](C)C)c1ccccc1 ZINC000005476091 170102851 /nfs/dbraw/zinc/10/28/51/170102851.db2.gz GOQNZYYJEHRBJM-KRWDZBQOSA-N 1 0 299.414 3.810 50 0 CHAARO C[NH2+][C@H](C)Cc1ccccc1Sc1ccccc1 ZINC000005748138 170136626 /nfs/dbraw/zinc/13/66/26/170136626.db2.gz HOPYVEWIFRKSQV-CYBMUJFWSA-N 1 0 257.402 3.988 50 0 CHAARO CCCCNc1c2ccccc2[nH+]c2c1[C@H](O)CC(C)(C)C2 ZINC000005833833 170145400 /nfs/dbraw/zinc/14/54/00/170145400.db2.gz LFWFLIANIUXLHX-MRXNPFEDSA-N 1 0 298.430 3.875 50 0 CHAARO Clc1ccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000006584817 170216172 /nfs/dbraw/zinc/21/61/72/170216172.db2.gz XIOLXLZPIDJCEY-BETUJISGSA-N 1 0 280.824 3.844 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000006730762 170235151 /nfs/dbraw/zinc/23/51/51/170235151.db2.gz JYCLAIHWADDGSC-HUUCEWRRSA-N 1 0 296.414 3.756 50 0 CHAARO Cc1cc(Nc2cccc(O)c2)c2ccccc2[nH+]1 ZINC000006912135 170254934 /nfs/dbraw/zinc/25/49/34/170254934.db2.gz OLVAXNKVWYWHSD-UHFFFAOYSA-N 1 0 250.301 3.992 50 0 CHAARO Clc1ccc(SCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000008039533 170315708 /nfs/dbraw/zinc/31/57/08/170315708.db2.gz MCRKDDZFRNKWBG-LBPRGKRZSA-N 1 0 255.814 3.964 50 0 CHAARO CCOc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000008324710 170331325 /nfs/dbraw/zinc/33/13/25/170331325.db2.gz QESDHWPIZIHSKE-UHFFFAOYSA-N 1 0 289.350 3.523 50 0 CHAARO Cc1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008691923 170345999 /nfs/dbraw/zinc/34/59/99/170345999.db2.gz RMNBJXRELLDLJU-UHFFFAOYSA-N 1 0 284.403 3.789 50 0 CHAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[NH+]1CCCCC1 ZINC000008700893 170346912 /nfs/dbraw/zinc/34/69/12/170346912.db2.gz WKAMLFYIPWORRV-UHFFFAOYSA-N 1 0 290.794 3.888 50 0 CHAARO Cc1cccc2c(=O)c(C[N@H+]3CCCC[C@H]3C)c(C)[nH]c12 ZINC000008714601 170348729 /nfs/dbraw/zinc/34/87/29/170348729.db2.gz BKKMOZKDUDRLCS-CYBMUJFWSA-N 1 0 284.403 3.932 50 0 biogenic,in-vitro CHAARO c1cnc2c(c1)cccc2CSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000008935657 170359105 /nfs/dbraw/zinc/35/91/05/170359105.db2.gz HMSGAMFZHSIYBJ-GJZGRUSLSA-N 1 0 297.427 3.738 50 0 CHAARO c1cc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)on1 ZINC000010023569 170396008 /nfs/dbraw/zinc/39/60/08/170396008.db2.gz LKAZWTFXHDYAMK-UHFFFAOYSA-N 1 0 299.399 3.664 50 0 CHAARO CCC[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012338213 170477139 /nfs/dbraw/zinc/47/71/39/170477139.db2.gz YWQSVLKOPBUAOC-AWEZNQCLSA-N 1 0 287.382 3.805 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000019608793 170830553 /nfs/dbraw/zinc/83/05/53/170830553.db2.gz VSSNXANCALBEDA-ZDUSSCGKSA-N 1 0 273.351 3.555 50 0 CHAARO Cc1cccc(C)c1OCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020167232 171040735 /nfs/dbraw/zinc/04/07/35/171040735.db2.gz QTZNHESGTDJNRS-IRXDYDNUSA-N 1 0 291.435 3.572 50 0 CHAARO Cc1ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000020168153 171040750 /nfs/dbraw/zinc/04/07/50/171040750.db2.gz MPQYZXUZHVKOLR-IRXDYDNUSA-N 1 0 291.435 3.572 50 0 CHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000020187460 171052111 /nfs/dbraw/zinc/05/21/11/171052111.db2.gz ZNMAVIHRFRMFHL-GFCCVEGCSA-N 1 0 286.350 3.635 50 0 CHAARO Clc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000020221553 171082929 /nfs/dbraw/zinc/08/29/29/171082929.db2.gz NYEJRTCMRJBPRE-JTQLQIEISA-N 1 0 274.191 3.904 50 0 CHAARO OC1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000037201905 173026201 /nfs/dbraw/zinc/02/62/01/173026201.db2.gz XRUQVVNLFPSMRP-ORHYLEIMSA-N 1 0 297.851 3.770 50 0 CHAARO CCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000037366878 173155916 /nfs/dbraw/zinc/15/59/16/173155916.db2.gz POUDCVPNPRNNLT-UHFFFAOYSA-N 1 0 262.578 3.602 50 0 CHAARO CC(C)(C)c1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000037428872 173200011 /nfs/dbraw/zinc/20/00/11/173200011.db2.gz HLPYYWQPOOCOKQ-OAHLLOKOSA-N 1 0 261.409 3.895 50 0 CHAARO CC(C)(C)c1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000037428873 173200187 /nfs/dbraw/zinc/20/01/87/173200187.db2.gz KROBTXDIMCKMPH-UHFFFAOYSA-N 1 0 261.409 3.753 50 0 CHAARO CC(C)(C)c1cc(Cl)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042771049 174870943 /nfs/dbraw/zinc/87/09/43/174870943.db2.gz ICFMHIGFWSGWEA-LLVKDONJSA-N 1 0 267.800 3.626 50 0 CHAARO Clc1ccc(OCC[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000042771406 174871592 /nfs/dbraw/zinc/87/15/92/174871592.db2.gz RZMOMANRSIVTTM-GFCCVEGCSA-N 1 0 290.794 3.657 50 0 CHAARO CC[C@@H](C)c1cc(Cl)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042775381 174873561 /nfs/dbraw/zinc/87/35/61/174873561.db2.gz GHPIVTYDLTZREQ-DGCLKSJQSA-N 1 0 267.800 3.984 50 0 CHAARO CCCc1cn(C2CC[NH+]([C@@H](C)CCC(C)C)CC2)nn1 ZINC000048234086 175422362 /nfs/dbraw/zinc/42/23/62/175422362.db2.gz FOVUWYXGJPXPJM-HNNXBMFYSA-N 1 0 292.471 3.692 50 0 CHAARO [NH3+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000055225499 175574543 /nfs/dbraw/zinc/57/45/43/175574543.db2.gz ASYITWYWBCCRPX-MRVPVSSYSA-N 1 0 257.177 3.658 50 0 CHAARO CO[C@H](C)c1cccc(-c2ccccc2CC[NH3+])c1 ZINC000067934904 175802982 /nfs/dbraw/zinc/80/29/82/175802982.db2.gz CREAYZSIKKLJCH-CYBMUJFWSA-N 1 0 255.361 3.562 50 0 CHAARO CCOc1ccc(-c2ccc3[nH]cc(CC[NH3+])c3c2)cc1 ZINC000071631134 176236765 /nfs/dbraw/zinc/23/67/65/176236765.db2.gz FQONUXZYRLTYDX-UHFFFAOYSA-N 1 0 280.371 3.735 50 0 CHAARO COc1ccc([C@@](C)(CC[NH+](C)C)c2ccccc2)cc1 ZINC000071771141 176262286 /nfs/dbraw/zinc/26/22/86/176262286.db2.gz QUWYMXKOCXTRQY-IBGZPJMESA-N 1 0 283.415 3.953 50 0 CHAARO CC[NH+](CC)CCNc1ccc(NC(C)=O)c2ccccc12 ZINC000071771255 176262332 /nfs/dbraw/zinc/26/23/32/176262332.db2.gz MHWVIDBSAFLKFR-UHFFFAOYSA-N 1 0 299.418 3.552 50 0 CHAARO FCCC[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072162834 176330353 /nfs/dbraw/zinc/33/03/53/176330353.db2.gz FVTYFVHJBLYVGA-OAHLLOKOSA-N 1 0 267.363 3.830 50 0 CHAARO Fc1ccc([C@@H]2CCCC[N@@H+]2CCc2ccccn2)cc1 ZINC000072170457 176333311 /nfs/dbraw/zinc/33/33/11/176333311.db2.gz DZVRMRQGJVPLIS-SFHVURJKSA-N 1 0 284.378 3.990 50 0 CHAARO Cc1[nH]c2ccccc2c1[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000076680244 177057778 /nfs/dbraw/zinc/05/77/78/177057778.db2.gz OZYZEWHWSRNBHE-INIZCTEOSA-N 1 0 264.372 3.875 50 0 CHAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)c1ccccc1 ZINC000078739027 177379666 /nfs/dbraw/zinc/37/96/66/177379666.db2.gz SEIJXLZAUXTPIB-JKSUJKDBSA-N 1 0 296.414 3.797 50 0 CHAARO CC(C)(C)n1cc(C[NH2+]C2CCCCCCC2)cn1 ZINC000037199350 260074067 /nfs/dbraw/zinc/07/40/67/260074067.db2.gz KTEHUGCSGJROCY-UHFFFAOYSA-N 1 0 263.429 3.841 50 0 CHAARO c1ccc(C([NH2+]Cc2cccnc2)c2ccccc2)cc1 ZINC000055421190 262348759 /nfs/dbraw/zinc/34/87/59/262348759.db2.gz VUMFRCXZSJZSQT-UHFFFAOYSA-N 1 0 274.367 3.961 50 0 CHAARO CC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cccnc1 ZINC000534592139 328318567 /nfs/dbraw/zinc/31/85/67/328318567.db2.gz JMGLMFZISHYNEW-LJQANCHMSA-N 1 0 295.430 3.791 50 0 CHAARO C[C@@H]([NH2+]Cc1ccccc1Cl)[C@@H](O)c1ccccc1 ZINC000019871865 326857348 /nfs/dbraw/zinc/85/73/48/326857348.db2.gz KCYXVAXVDNWVJI-MLGOLLRUSA-N 1 0 275.779 3.552 50 0 CHAARO CC(C)(O)CCc1ccc(C[NH+]2CCC(F)(F)CC2)cc1 ZINC000072439255 327110822 /nfs/dbraw/zinc/11/08/22/327110822.db2.gz KGIOIJHHSNLHLV-UHFFFAOYSA-N 1 0 297.389 3.621 50 0 CHAARO C[C@H]1C[C@@H]([NH2+]C2CCC(O)CC2)c2ccsc2S1 ZINC000090800606 330396338 /nfs/dbraw/zinc/39/63/38/330396338.db2.gz AZZSPCXBAGUEBL-HHISKICNSA-N 1 0 283.462 3.567 50 0 CHAARO c1ccc(C[NH2+]CCc2ccnc3ccccc23)cc1 ZINC000521398193 333117839 /nfs/dbraw/zinc/11/78/39/333117839.db2.gz URZAQMATFPCMTB-UHFFFAOYSA-N 1 0 262.356 3.567 50 0 CHAARO Cc1cncc(C[NH2+]Cc2ccc(C)c(Cl)c2)c1 ZINC000195448760 336053926 /nfs/dbraw/zinc/05/39/26/336053926.db2.gz BBJDMVSIJUJJID-UHFFFAOYSA-N 1 0 260.768 3.642 50 0 CHAARO C[C@@H](c1cccc(-c2cnc3cccnn32)c1)[NH+]1CCCC1 ZINC000426668227 534075220 /nfs/dbraw/zinc/07/52/20/534075220.db2.gz FAXBBTSGRGSENZ-AWEZNQCLSA-N 1 0 292.386 3.553 50 0 CHAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000048288834 523178482 /nfs/dbraw/zinc/17/84/82/523178482.db2.gz UHYNQMDIAZOFPE-MRXNPFEDSA-N 1 0 269.392 3.637 50 0 CHAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2nc(C)cs2)cc1 ZINC000038091007 523981582 /nfs/dbraw/zinc/98/15/82/523981582.db2.gz CGXZAVWPEMGLRT-GFCCVEGCSA-N 1 0 290.432 3.571 50 0 CHAARO Fc1ccccc1COc1ccccc1C[NH2+]C1CC1 ZINC000016449612 526411471 /nfs/dbraw/zinc/41/14/71/526411471.db2.gz LQQUIZYHIUOOCO-UHFFFAOYSA-N 1 0 271.335 3.657 50 0 CHAARO O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000019872322 527652250 /nfs/dbraw/zinc/65/22/50/527652250.db2.gz PIDCUNKRRFRBPG-SFHVURJKSA-N 1 0 293.366 3.770 50 0 CHAARO CC(C)OC1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194936521 527885433 /nfs/dbraw/zinc/88/54/33/527885433.db2.gz HXOXDCVLQVNJIE-KTAKPFMOSA-N 1 0 277.408 3.779 50 0 CHAARO Cc1cccc(NC(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)c1C ZINC000031653733 566844202 /nfs/dbraw/zinc/84/42/02/566844202.db2.gz GSDWQSDWQGUNGT-CQSZACIVSA-N 1 0 286.419 3.505 50 0 CHAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H]([NH3+])CC[C@]34C)[C@@H]1CC[C@H]2O ZINC000012479353 566844644 /nfs/dbraw/zinc/84/46/44/566844644.db2.gz WMEBIWWUBWHAOJ-LFJLJVMTSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2[NH3+] ZINC000004027446 566856643 /nfs/dbraw/zinc/85/66/43/566856643.db2.gz WDTAJXMIXADUTH-QFIIDBSYSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO C[NH+](C)C[C@H]1CCCC[C@H]1Sc1cccc(Cl)n1 ZINC000043191073 566917842 /nfs/dbraw/zinc/91/78/42/566917842.db2.gz NIKHTMIIWYEDBO-VXGBXAGGSA-N 1 0 284.856 3.948 50 0 CHAARO Cc1noc(C2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)n1 ZINC000053618217 566943162 /nfs/dbraw/zinc/94/31/62/566943162.db2.gz WXSYJTKNJBAICT-AWEZNQCLSA-N 1 0 299.418 3.579 50 0 CHAARO C[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCCCCC1 ZINC000053847202 566956254 /nfs/dbraw/zinc/95/62/54/566956254.db2.gz FIKPKVBRKCKWMT-UHFFFAOYSA-N 1 0 285.391 3.891 50 0 CHAARO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CCC1=CCOCC1 ZINC000090809475 566958609 /nfs/dbraw/zinc/95/86/09/566958609.db2.gz GZCKNXVNDPBNFL-QGZVFWFLSA-N 1 0 299.414 3.759 50 0 CHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000241795512 566968366 /nfs/dbraw/zinc/96/83/66/566968366.db2.gz RZTYYQXRKGPMMD-KFWWJZLASA-N 1 0 299.418 3.669 50 0 CHAARO CC(C)n1ncnc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000426370411 566988360 /nfs/dbraw/zinc/98/83/60/566988360.db2.gz IASNHXNQCZDPFY-AWEZNQCLSA-N 1 0 284.407 3.683 50 0 CHAARO CCn1nc(C)nc1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000426399151 566988889 /nfs/dbraw/zinc/98/88/89/566988889.db2.gz CJCKEDGQLKQNAX-AWEZNQCLSA-N 1 0 298.434 3.820 50 0 CHAARO c1ccc2c(c1)SCC[C@@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000036325103 566996912 /nfs/dbraw/zinc/99/69/12/566996912.db2.gz KSTOMGILILMATR-AWEZNQCLSA-N 1 0 299.395 3.742 50 0 CHAARO CC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000239173674 567007538 /nfs/dbraw/zinc/00/75/38/567007538.db2.gz OKNRTYWYWMOJGO-MKXGPGLRSA-N 1 0 281.399 3.849 50 0 CHAARO C(=C/c1ccc(C[NH+]2CCCC2)cn1)\c1ccccc1 ZINC000065397105 567008298 /nfs/dbraw/zinc/00/82/98/567008298.db2.gz NQEBIAVQVDOIOK-CSKARUKUSA-N 1 0 264.372 3.848 50 0 CHAARO C[C@H]1C[C@H](C)C[NH+](CCCCOc2ccccc2)C1 ZINC000002822516 567037355 /nfs/dbraw/zinc/03/73/55/567037355.db2.gz RZZGHPUMDIFXHE-HOTGVXAUSA-N 1 0 261.409 3.824 50 0 CHAARO C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1Cc1ccncc1 ZINC000095401543 567038965 /nfs/dbraw/zinc/03/89/65/567038965.db2.gz DJPDQXZFCVTWSO-IUODEOHRSA-N 1 0 258.390 3.521 50 0 CHAARO CC(C)=CCC[C@@H](C)CCN(CCC[NH+](C)C)C(C)=O ZINC000002139109 567056057 /nfs/dbraw/zinc/05/60/57/567056057.db2.gz BFLLZIRTMXAVEE-MRXNPFEDSA-N 1 0 282.472 3.559 50 0 biogenic CHAARO C[C@@H]([NH3+])C1=C(P(c2ccccc2)c2ccccc2)CC=C1 ZINC000100032094 567091133 /nfs/dbraw/zinc/09/11/33/567091133.db2.gz YPCAFNZQAHBZAN-OAHLLOKOSA-N 1 0 293.350 3.681 50 0 CHAARO COc1ccc(-c2[nH]c3ccccc3c2C[NH+](C)C)cc1 ZINC000147503230 567092505 /nfs/dbraw/zinc/09/25/05/567092505.db2.gz HVTAOMBVAMWFJG-UHFFFAOYSA-N 1 0 280.371 3.905 50 0 CHAARO CC[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000253424818 567098167 /nfs/dbraw/zinc/09/81/67/567098167.db2.gz KYAICWIVWVWVMJ-UMQBVGHOSA-N 1 0 273.420 3.654 50 0 CHAARO C/C(=C\c1ccccc1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019227026 567118439 /nfs/dbraw/zinc/11/84/39/567118439.db2.gz FIYRPYAROMYNMQ-FLXZHSAZSA-N 1 0 284.447 3.650 50 0 CHAARO C[C@H]([NH2+]CCc1ccccc1)c1cccnc1Cl ZINC000095419227 567131516 /nfs/dbraw/zinc/13/15/16/567131516.db2.gz KLNUOYPEVWTLGB-LBPRGKRZSA-N 1 0 260.768 3.628 50 0 CHAARO Cc1noc(C)c1CC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000095422126 567131585 /nfs/dbraw/zinc/13/15/85/567131585.db2.gz YSEASXYLTLHARB-KRWDZBQOSA-N 1 0 287.407 3.606 50 0 CHAARO Cc1[nH+]c(CNCc2cc(C)cc(C)c2)c2ccccn12 ZINC000095443036 567133974 /nfs/dbraw/zinc/13/39/74/567133974.db2.gz VHAWSTSOHUXZCK-UHFFFAOYSA-N 1 0 279.387 3.549 50 0 CHAARO CC1(C)C[C@@](CC[NH3+])(c2ccc(Cl)cc2)CCO1 ZINC000095476529 567136735 /nfs/dbraw/zinc/13/67/35/567136735.db2.gz TZHIUVTXAZUASU-HNNXBMFYSA-N 1 0 267.800 3.516 50 0 CHAARO CCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000095483072 567136878 /nfs/dbraw/zinc/13/68/78/567136878.db2.gz QFLGGFHQRAPBEC-ZWKOTPCHSA-N 1 0 298.430 3.568 50 0 CHAARO CCCC[C@H](CC)C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000002647025 567151019 /nfs/dbraw/zinc/15/10/19/567151019.db2.gz KYRXGNDXTRQLMI-DLBZAZTESA-N 1 0 293.451 3.541 50 0 CHAARO CC[NH+](CC)[C@@H](CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000057288257 567154778 /nfs/dbraw/zinc/15/47/78/567154778.db2.gz PAXYFQMVAISZQO-INIZCTEOSA-N 1 0 290.451 3.622 50 0 CHAARO C[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CC[N@@H+]2C1 ZINC000003176041 567162349 /nfs/dbraw/zinc/16/23/49/567162349.db2.gz HBGSSXPVPKMKAU-SJKOYZFVSA-N 1 0 254.377 3.671 50 0 biogenic CHAARO C[NH+](C)C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1 ZINC000003172191 567163480 /nfs/dbraw/zinc/16/34/80/567163480.db2.gz ANDVCSYZBRZFJU-HIFRSBDPSA-N 1 0 295.810 3.617 50 0 CHAARO C[N@H+](CC[C@H]1CC1(F)F)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000670436110 567168304 /nfs/dbraw/zinc/16/83/04/567168304.db2.gz OSDKUEFAUYVOBJ-VIFPVBQESA-N 1 0 299.752 3.693 50 0 CHAARO Clc1ccccc1-c1nnc(C[NH+]2CCCCCC2)o1 ZINC000030824754 567173026 /nfs/dbraw/zinc/17/30/26/567173026.db2.gz NHPMZWMNQVTVIZ-UHFFFAOYSA-N 1 0 291.782 3.766 50 0 CHAARO c1ccc(C[C@H]2CCCC[N@@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000069528539 567201990 /nfs/dbraw/zinc/20/19/90/567201990.db2.gz NOGRBKPHZLJTAB-MRXNPFEDSA-N 1 0 297.402 3.544 50 0 CHAARO C[C@H](C1CC1)[N@H+](C)CCc1ncc(-c2ccccc2)o1 ZINC000069971771 567203334 /nfs/dbraw/zinc/20/33/34/567203334.db2.gz QOZKNAMJAGSEBO-CYBMUJFWSA-N 1 0 270.376 3.614 50 0 CHAARO COc1ccc2c(c1)c(CC[NH3+])c(C)n2Cc1ccccc1 ZINC000000000998 567816397 /nfs/dbraw/zinc/81/63/97/567816397.db2.gz RPSOLZRELOLSFM-UHFFFAOYSA-N 1 0 294.398 3.508 50 0 in-man CHAARO c1ccc2c(c1)cccc2-c1nnc(C[NH+]2CCCCC2)o1 ZINC000000083324 567817822 /nfs/dbraw/zinc/81/78/22/567817822.db2.gz HAABJYCMBKEFOZ-UHFFFAOYSA-N 1 0 293.370 3.876 50 0 CHAARO C[C@H](Cc1ccccc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000000216208 567822311 /nfs/dbraw/zinc/82/23/11/567822311.db2.gz HESNJCULOIZPRG-MRXNPFEDSA-N 1 0 298.405 3.579 50 0 CHAARO Cc1cccc(C(=O)O[C@@H](C)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000000210634 567822583 /nfs/dbraw/zinc/82/25/83/567822583.db2.gz CDLAWMHMQXCIAA-XHSDSOJGSA-N 1 0 289.419 3.803 50 0 CHAARO Clc1ccccc1N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000000277441 567823602 /nfs/dbraw/zinc/82/36/02/567823602.db2.gz OKCMWEYIBWFRTH-OAHLLOKOSA-N 1 0 290.838 3.818 50 0 CHAARO c1ccc(-c2cc(-c3ccccc3)[n+]3c(n2)SCC3)cc1 ZINC000000389331 567828296 /nfs/dbraw/zinc/82/82/96/567828296.db2.gz FMUYWDPAEZKISL-UHFFFAOYSA-N 1 0 291.399 3.809 50 0 CHAARO COc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000000570992 567833711 /nfs/dbraw/zinc/83/37/11/567833711.db2.gz UPMJXBLRDCBHGF-CYBMUJFWSA-N 1 0 271.360 3.555 50 0 CHAARO CCCOc1ccc(C(=O)CC[NH+]2CCCCC2)cc1 ZINC000001999568 567843874 /nfs/dbraw/zinc/84/38/74/567843874.db2.gz STHAHFPLLHRRRO-UHFFFAOYSA-N 1 0 275.392 3.534 50 0 in-man CHAARO CC[NH+](CC)CCOC(=O)Nc1cccc2ccccc21 ZINC000002015160 567844033 /nfs/dbraw/zinc/84/40/33/567844033.db2.gz RDIBZKPSUBFQEP-UHFFFAOYSA-N 1 0 286.375 3.730 50 0 CHAARO Cc1[nH]c2ccc(C)cc2c1CC[NH2+]Cc1cccnc1 ZINC000002455604 567845934 /nfs/dbraw/zinc/84/59/34/567845934.db2.gz BKOKPJIJJGKIAA-UHFFFAOYSA-N 1 0 279.387 3.512 50 0 CHAARO CC(C)[C@H]([NH3+])C(F)(c1ccccc1)c1ccccc1 ZINC000002506632 567846185 /nfs/dbraw/zinc/84/61/85/567846185.db2.gz MJIXRSWLVFUMCB-INIZCTEOSA-N 1 0 257.352 3.883 50 0 CHAARO COc1ccccc1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514548 567846475 /nfs/dbraw/zinc/84/64/75/567846475.db2.gz NTKAPCFYXAUZSI-UHFFFAOYSA-N 1 0 295.382 3.522 50 0 CHAARO O=C(c1ccccc1C[NH+]1CCCC1)C1CCCC1 ZINC000002515590 567846638 /nfs/dbraw/zinc/84/66/38/567846638.db2.gz ONLFCBAEGHKDEM-UHFFFAOYSA-N 1 0 257.377 3.655 50 0 CHAARO CCCCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1OC ZINC000035133998 567850536 /nfs/dbraw/zinc/85/05/36/567850536.db2.gz YUALOCQDNCKIFV-CYBMUJFWSA-N 1 0 265.397 3.762 50 0 CHAARO CCCC[NH+](CCCC)C[C@H](O)COc1ccccc1C ZINC000002989833 567850968 /nfs/dbraw/zinc/85/09/68/567850968.db2.gz IGOYYRBLQWESAP-KRWDZBQOSA-N 1 0 293.451 3.637 50 0 CHAARO Cc1cc(OCCC[NH+]2CCCC2)ccc1C(C)C ZINC000003002267 567851217 /nfs/dbraw/zinc/85/12/17/567851217.db2.gz GAYQLFCHBJMMJX-UHFFFAOYSA-N 1 0 261.409 3.983 50 0 CHAARO CCCC[NH2+]CCOCCOc1ccccc1[C@H](C)CC ZINC000003461423 567852859 /nfs/dbraw/zinc/85/28/59/567852859.db2.gz QCAVBFUPORMZLB-MRXNPFEDSA-N 1 0 293.451 3.985 50 0 CHAARO C[C@]12CC3CC([NH2+]Cc4cccnc4)(C1)C[C@@](C)(C3)C2 ZINC000004897505 567859201 /nfs/dbraw/zinc/85/92/01/567859201.db2.gz YIVMSNQMFCYNQE-ZTOOSOLZSA-N 1 0 270.420 3.920 50 0 CHAARO c1cc(C2CC[NH+](CCc3ccccn3)CC2)cs1 ZINC000186954318 567859549 /nfs/dbraw/zinc/85/95/49/567859549.db2.gz RIGCNTOLGAHGSZ-UHFFFAOYSA-N 1 0 272.417 3.565 50 0 CHAARO CCC[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010363777 567861391 /nfs/dbraw/zinc/86/13/91/567861391.db2.gz KMSROQSCVAVPLF-HNNXBMFYSA-N 1 0 288.435 3.591 50 0 CHAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000012050949 567862080 /nfs/dbraw/zinc/86/20/80/567862080.db2.gz FKNYLVWADQTXRH-JUNHHFQASA-N 1 0 262.372 3.668 50 0 CHAARO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000011961349 567862405 /nfs/dbraw/zinc/86/24/05/567862405.db2.gz MTSPMSPHSCYSRY-KRWDZBQOSA-N 1 0 298.386 3.791 50 0 CHAARO CCC[N@@H+]1CCC[C@H](C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000012507507 567863279 /nfs/dbraw/zinc/86/32/79/567863279.db2.gz WIFQZKFWPZEZCK-HNNXBMFYSA-N 1 0 289.419 3.617 50 0 CHAARO c1ccc(CC[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012449464 567863367 /nfs/dbraw/zinc/86/33/67/567863367.db2.gz VUSCDETVURUBAS-GOSISDBHSA-N 1 0 280.415 3.926 50 0 CHAARO COCCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013722623 567867329 /nfs/dbraw/zinc/86/73/29/567867329.db2.gz UBXMYUUAJNGUQI-UHFFFAOYSA-N 1 0 279.767 3.726 50 0 CHAARO CC(C)CC[NH2+]Cc1cccc(Br)c1 ZINC000013717952 567867613 /nfs/dbraw/zinc/86/76/13/567867613.db2.gz FDHDBEHUVGLBAU-UHFFFAOYSA-N 1 0 256.187 3.585 50 0 CHAARO c1ccc(Oc2ccc(OC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631243 567869406 /nfs/dbraw/zinc/86/94/06/567869406.db2.gz RWFQHFAWSSDSRQ-HNNXBMFYSA-N 1 0 283.371 3.857 50 0 CHAARO c1ccc(-c2ccc(CO[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631601 567869555 /nfs/dbraw/zinc/86/95/55/567869555.db2.gz WOZOVXZTEIVCSJ-SFHVURJKSA-N 1 0 267.372 3.622 50 0 CHAARO c1ccc(COc2ccc(OCC3CC[NH2+]CC3)cc2)cc1 ZINC000014631464 567869606 /nfs/dbraw/zinc/86/96/06/567869606.db2.gz QBVYAJIMGHTLOC-UHFFFAOYSA-N 1 0 297.398 3.644 50 0 CHAARO c1ccc(N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000015067674 567870305 /nfs/dbraw/zinc/87/03/05/567870305.db2.gz PHFZNAOSNHRWOD-IBGZPJMESA-N 1 0 292.426 3.730 50 0 CHAARO C[C@@H]1C[N@@H+](CCCCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000016192980 567872300 /nfs/dbraw/zinc/87/23/00/567872300.db2.gz LXEXTDQLQRFWCC-OKILXGFUSA-N 1 0 297.826 3.608 50 0 CHAARO CC(C)=CCn1ccc(-c2cccc(-c3nccn3C)c2)n1 ZINC000019608564 567878116 /nfs/dbraw/zinc/87/81/16/567878116.db2.gz BSVQHPPHGZDKSF-UHFFFAOYSA-N 1 0 292.386 3.917 50 0 CHAARO Clc1ccccc1C[N@@H+]1CCc2ccccc2C1 ZINC000019536508 567878185 /nfs/dbraw/zinc/87/81/85/567878185.db2.gz FFVHTUGWVKEQQG-UHFFFAOYSA-N 1 0 257.764 3.898 50 0 CHAARO CC[C@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019882002 567879858 /nfs/dbraw/zinc/87/98/58/567879858.db2.gz HLHHDMMWSRCUBS-VHSXEESVSA-N 1 0 256.187 3.898 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccccc1C ZINC000019957849 567880085 /nfs/dbraw/zinc/88/00/85/567880085.db2.gz ODSGGAAYPQHRQF-SFHVURJKSA-N 1 0 292.382 3.720 50 0 CHAARO COc1ccc([C@@H](C)[NH+]2CCC(OC)CC2)cc1Cl ZINC000069845074 567880713 /nfs/dbraw/zinc/88/07/13/567880713.db2.gz ABZUYSODWWTMRB-LLVKDONJSA-N 1 0 283.799 3.520 50 0 CHAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000023281224 567881612 /nfs/dbraw/zinc/88/16/12/567881612.db2.gz VXAOILQJGGWAGN-AEFFLSMTSA-N 1 0 286.419 3.800 50 0 CHAARO CC[C@@](CO)([NH2+]Cc1ccc(C)c(C)c1)c1ccccc1 ZINC000072289912 567884230 /nfs/dbraw/zinc/88/42/30/567884230.db2.gz KWNHYEFBWUINRS-IBGZPJMESA-N 1 0 283.415 3.691 50 0 CHAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2cccnc2)o1 ZINC000022034656 567888089 /nfs/dbraw/zinc/88/80/89/567888089.db2.gz BEUOJAQGJMVKIM-CYBMUJFWSA-N 1 0 272.392 3.829 50 0 CHAARO c1ccc(COC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034759649 567888753 /nfs/dbraw/zinc/88/87/53/567888753.db2.gz NMBJDLXKQWESDE-UHFFFAOYSA-N 1 0 281.399 3.868 50 0 CHAARO CCc1cc(OCC[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000042771482 567891527 /nfs/dbraw/zinc/89/15/27/567891527.db2.gz GYQJBVZPUDKULY-LBPRGKRZSA-N 1 0 267.800 3.671 50 0 CHAARO Cc1cc(Br)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042773793 567891555 /nfs/dbraw/zinc/89/15/55/567891555.db2.gz SSVODZMROHYVND-ZDUSSCGKSA-N 1 0 298.224 3.669 50 0 CHAARO CC[C@@H](C)C[NH2+]Cc1ccccc1Br ZINC000042419220 567891659 /nfs/dbraw/zinc/89/16/59/567891659.db2.gz CSENELAXHWXZNX-SNVBAGLBSA-N 1 0 256.187 3.585 50 0 CHAARO CC(C)(C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042771075 567891687 /nfs/dbraw/zinc/89/16/87/567891687.db2.gz QMKSQEAKUWVCRM-LLVKDONJSA-N 1 0 267.800 3.626 50 0 CHAARO Clc1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042772295 567891740 /nfs/dbraw/zinc/89/17/40/567891740.db2.gz RTGQTUZUCJGJIX-UHFFFAOYSA-N 1 0 274.191 3.762 50 0 CHAARO CC(C)c1cc(Br)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042770436 567891770 /nfs/dbraw/zinc/89/17/70/567891770.db2.gz NKHGIBJNKQSKPE-NSHDSACASA-N 1 0 298.224 3.561 50 0 CHAARO CC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775348 567891889 /nfs/dbraw/zinc/89/18/89/567891889.db2.gz AKPPASMZZUYYNG-GFCCVEGCSA-N 1 0 267.800 3.768 50 0 CHAARO CC(C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775022 567892052 /nfs/dbraw/zinc/89/20/52/567892052.db2.gz OYYOHHSTEVIPHI-LBPRGKRZSA-N 1 0 267.800 3.842 50 0 CHAARO Clc1cc(Cl)c(O[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000042776150 567892185 /nfs/dbraw/zinc/89/21/85/567892185.db2.gz WVGAVWOXADKOFA-SSDOTTSWSA-N 1 0 280.582 3.778 50 0 CHAARO Cc1ccsc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055543106 567894571 /nfs/dbraw/zinc/89/45/71/567894571.db2.gz AKMJUNFYHIMQOK-UHFFFAOYSA-N 1 0 290.407 3.518 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000058424160 567895803 /nfs/dbraw/zinc/89/58/03/567895803.db2.gz LNSBVRQRTFXYFU-MRXNPFEDSA-N 1 0 262.397 3.836 50 0 CHAARO Cc1cc(C[N@H+](Cc2ccccc2C)CC(C)C)n(C)n1 ZINC000063833089 567897509 /nfs/dbraw/zinc/89/75/09/567897509.db2.gz FGIUWIWHYHWFSD-UHFFFAOYSA-N 1 0 285.435 3.695 50 0 CHAARO Cc1cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)cnc1N ZINC000065370066 567898598 /nfs/dbraw/zinc/89/85/98/567898598.db2.gz PALHLJGEEYXIHG-AWEZNQCLSA-N 1 0 281.403 3.796 50 0 CHAARO C[C@H](c1cccc(-c2cc(O)c(F)c(F)c2)c1)[NH+](C)C ZINC000065383357 567898655 /nfs/dbraw/zinc/89/86/55/567898655.db2.gz AABVPIYNVBURSL-SNVBAGLBSA-N 1 0 277.314 3.960 50 0 CHAARO COc1ccc(-c2cccc(C[NH+]3CCCC3)c2)c(OC)c1 ZINC000065410288 567899124 /nfs/dbraw/zinc/89/91/24/567899124.db2.gz FUCZTTNUEDAWGO-UHFFFAOYSA-N 1 0 297.398 3.967 50 0 CHAARO Cc1noc(C)c1C[N@@H+](C)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000065428868 567899150 /nfs/dbraw/zinc/89/91/50/567899150.db2.gz MWJRGWWTJGXFEG-HOCLYGCPSA-N 1 0 274.408 3.716 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000065453649 567899257 /nfs/dbraw/zinc/89/92/57/567899257.db2.gz SDPKZBDAMAWMGJ-CMPYXILNSA-N 1 0 256.349 3.771 50 0 CHAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cc2ccccc2n1C ZINC000065436234 567899403 /nfs/dbraw/zinc/89/94/03/567899403.db2.gz YSHXHYIUIYENTR-CQSZACIVSA-N 1 0 279.387 3.766 50 0 CHAARO C[C@@H](c1cccc(-c2ncnc3[nH]ccc32)c1)[NH+]1CCCC1 ZINC000065506751 567899688 /nfs/dbraw/zinc/89/96/88/567899688.db2.gz JNVBZYJGZDTSGP-ZDUSSCGKSA-N 1 0 292.386 3.782 50 0 CHAARO COc1ccc(CC[NH3+])cc1-c1ccc(Cl)s1 ZINC000067605302 567900380 /nfs/dbraw/zinc/90/03/80/567900380.db2.gz CIHCFBQQYHRMCB-UHFFFAOYSA-N 1 0 267.781 3.578 50 0 CHAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccc4occc4c3)c2O1 ZINC000067871437 567900847 /nfs/dbraw/zinc/90/08/47/567900847.db2.gz DOXAAVINIXLGKF-CQSZACIVSA-N 1 0 283.302 3.501 50 0 CHAARO Cc1ccc(Oc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000067896319 567901203 /nfs/dbraw/zinc/90/12/03/567901203.db2.gz KPSDTEBBCRBCNH-UHFFFAOYSA-N 1 0 283.375 3.563 50 0 CHAARO CCC[C@](OC(=O)CC)(c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000071772259 567902056 /nfs/dbraw/zinc/90/20/56/567902056.db2.gz VCMZAYBZVOWQJQ-AEFFLSMTSA-N 1 0 289.419 3.587 50 0 CHAARO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2ccccc2C)C1 ZINC000072432516 567902739 /nfs/dbraw/zinc/90/27/39/567902739.db2.gz RTBSGKOQTSYFBS-MRXNPFEDSA-N 1 0 283.419 3.591 50 0 CHAARO CO[C@@H](C)c1cccc(N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000097045954 567903523 /nfs/dbraw/zinc/90/35/23/567903523.db2.gz DPSWZMCJXIQDMK-KBPBESRZSA-N 1 0 276.424 3.536 50 0 CHAARO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000097103352 567903973 /nfs/dbraw/zinc/90/39/73/567903973.db2.gz ONURQICLVRDFQL-IUODEOHRSA-N 1 0 288.439 3.501 50 0 CHAARO Cc1c(C[NH2+][C@H](c2cc3ccccc3o2)C(C)C)cnn1C ZINC000097229845 567905861 /nfs/dbraw/zinc/90/58/61/567905861.db2.gz LMGDSDNQQBFZHQ-SFHVURJKSA-N 1 0 297.402 3.962 50 0 CHAARO CC[NH2+]Cc1cc(-c2ccc([C@H](C)CC)cc2)n[nH]1 ZINC000725264784 567923340 /nfs/dbraw/zinc/92/33/40/567923340.db2.gz XANXEHUHIHPXHF-GFCCVEGCSA-N 1 0 257.381 3.700 50 0 CHAARO Cc1ccc(NC(=O)CC[NH+]2CCCCCC2)c(C)c1 ZINC000000192227 567925010 /nfs/dbraw/zinc/92/50/10/567925010.db2.gz ZQLZXSWGSSMCFX-UHFFFAOYSA-N 1 0 274.408 3.508 50 0 CHAARO OCC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000000209438 567925046 /nfs/dbraw/zinc/92/50/46/567925046.db2.gz YPRZYMJRAMUODQ-GFCCVEGCSA-N 1 0 288.218 3.730 50 0 CHAARO CCn1cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)cn1 ZINC000426433685 567929077 /nfs/dbraw/zinc/92/90/77/567929077.db2.gz QTUJYEYFFWAQTK-AWEZNQCLSA-N 1 0 269.392 3.727 50 0 CHAARO Cc1ccc(O)c(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000426489351 567929120 /nfs/dbraw/zinc/92/91/20/567929120.db2.gz JZFJRQHYECFVAI-OAHLLOKOSA-N 1 0 297.398 3.761 50 0 CHAARO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000134912131 567929577 /nfs/dbraw/zinc/92/95/77/567929577.db2.gz YGYKRTPNDDCTIZ-ZJUUUORDSA-N 1 0 291.361 3.938 50 0 CHAARO Cc1csc([C@@H]([NH2+][C@H](C)CC2CC2)C2CC2)n1 ZINC000095423330 567931608 /nfs/dbraw/zinc/93/16/08/567931608.db2.gz MWANTBSXULGPNE-RNCFNFMXSA-N 1 0 250.411 3.681 50 0 CHAARO c1ccc(COC[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000062161958 567932242 /nfs/dbraw/zinc/93/22/42/567932242.db2.gz PUNYGCONFSAWHD-SFHVURJKSA-N 1 0 296.414 3.510 50 0 CHAARO OC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000000215235 567935643 /nfs/dbraw/zinc/93/56/43/567935643.db2.gz GLWSECUMLMZXNP-LJQANCHMSA-N 1 0 281.399 3.700 50 0 CHAARO CCC1CCC([NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000000276989 567935940 /nfs/dbraw/zinc/93/59/40/567935940.db2.gz XXJWJTZWWVOQFV-UHFFFAOYSA-N 1 0 277.408 3.762 50 0 CHAARO COc1ccccc1CC[NH2+]Cc1cccc(Cl)c1 ZINC000013719098 567942117 /nfs/dbraw/zinc/94/21/17/567942117.db2.gz YWMGDLZFINPWLD-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO Cc1cc(Nc2ccccc2O)c2ccccc2[nH+]1 ZINC000000541046 567942827 /nfs/dbraw/zinc/94/28/27/567942827.db2.gz DBXSNYNFYFBCRA-UHFFFAOYSA-N 1 0 250.301 3.992 50 0 CHAARO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1 ZINC000019899659 567944955 /nfs/dbraw/zinc/94/49/55/567944955.db2.gz ZRWMHLVIVRKHBX-GOSISDBHSA-N 1 0 267.372 3.862 50 0 CHAARO c1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cs1 ZINC000020096474 567945342 /nfs/dbraw/zinc/94/53/42/567945342.db2.gz YZWYXQPSHLRYFH-KRWDZBQOSA-N 1 0 286.444 3.675 50 0 CHAARO CCCC[C@H](CC)C[N@@H+]1CCc2[nH]nc(C3CC3)c2C1 ZINC000048488345 567946519 /nfs/dbraw/zinc/94/65/19/567946519.db2.gz AGWVLOOTXYONRL-ZDUSSCGKSA-N 1 0 275.440 3.862 50 0 CHAARO c1c2ccccc2oc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000215928864 567947344 /nfs/dbraw/zinc/94/73/44/567947344.db2.gz JSLUBVHZQVAUTR-UHFFFAOYSA-N 1 0 271.360 3.578 50 0 CHAARO c1cc2cccc(C[N@@H+](Cc3ccccn3)C3CC3)c2[nH]1 ZINC000216360027 567947460 /nfs/dbraw/zinc/94/74/60/567947460.db2.gz AKFUSLXGWLWXFO-UHFFFAOYSA-N 1 0 277.371 3.728 50 0 CHAARO c1ccc(Oc2ncccc2C[NH+]2CCCCC2)cc1 ZINC000221272015 567948659 /nfs/dbraw/zinc/94/86/59/567948659.db2.gz DSHSVHISTBRZLJ-UHFFFAOYSA-N 1 0 268.360 3.860 50 0 CHAARO COc1ccccc1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000028924765 567954118 /nfs/dbraw/zinc/95/41/18/567954118.db2.gz DSGGKXGBKPNQTK-ZDUSSCGKSA-N 1 0 298.386 3.504 50 0 CHAARO C/C=C(\C)C[N@@H+]1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000011839365 570220838 /nfs/dbraw/zinc/22/08/38/570220838.db2.gz RUTJARMMUFWHMM-RRIZPTRRSA-N 1 0 280.362 3.807 50 0 CHAARO [NH3+][C@H](CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000037658133 570234108 /nfs/dbraw/zinc/23/41/08/570234108.db2.gz HYDLQNLHUATIDN-OAHLLOKOSA-N 1 0 261.752 3.809 50 0 CHAARO CC/C=C(\C)C[N@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000055153428 570240881 /nfs/dbraw/zinc/24/08/81/570240881.db2.gz PMZBKILVQJDMIB-UBKPWBPPSA-N 1 0 298.434 3.527 50 0 CHAARO [NH3+]C1CCC(Sc2nc3ccccc3s2)CC1 ZINC000055143721 570241259 /nfs/dbraw/zinc/24/12/59/570241259.db2.gz WRNOFJPQIITWJE-UHFFFAOYSA-N 1 0 264.419 3.658 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000055292334 570242571 /nfs/dbraw/zinc/24/25/71/570242571.db2.gz PDOGPIRDBACISK-UHFFFAOYSA-N 1 0 294.442 3.934 50 0 CHAARO CCCn1nc(C)c(-c2cccc(C[NH+](C)C)c2)c1C ZINC000585133995 570252179 /nfs/dbraw/zinc/25/21/79/570252179.db2.gz YIUFGDJYQFGHHG-UHFFFAOYSA-N 1 0 271.408 3.639 50 0 CHAARO Cc1ccc(C(C)C)cc1OCCC[NH+]1CCCC1 ZINC000003001750 570278645 /nfs/dbraw/zinc/27/86/45/570278645.db2.gz GBYXKUWJLSAVOP-UHFFFAOYSA-N 1 0 261.409 3.983 50 0 CHAARO C[C@@H](NC(=O)CC1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000018048174 570282746 /nfs/dbraw/zinc/28/27/46/570282746.db2.gz DKNRTXYXSGPMFG-CQSZACIVSA-N 1 0 297.402 3.630 50 0 CHAARO Fc1cccc([C@H]2CCC[N@@H+]2CCc2ccncc2)c1 ZINC000048248667 570296609 /nfs/dbraw/zinc/29/66/09/570296609.db2.gz OOHIQGYXYNRHBJ-QGZVFWFLSA-N 1 0 270.351 3.600 50 0 CHAARO CCCn1ncc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1C ZINC000215196384 570302311 /nfs/dbraw/zinc/30/23/11/570302311.db2.gz BWJDZGFURVAMBG-GOSISDBHSA-N 1 0 298.434 3.724 50 0 CHAARO COC1CC[NH+](Cc2ccc(-c3ccco3)cc2)CC1 ZINC000215375118 570302762 /nfs/dbraw/zinc/30/27/62/570302762.db2.gz JOLXAQGOUKKKTP-UHFFFAOYSA-N 1 0 271.360 3.557 50 0 CHAARO C[C@@]1(O)CCC[N@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC000215524959 570303292 /nfs/dbraw/zinc/30/32/92/570303292.db2.gz HJQKEVBHLNMLKY-CQSZACIVSA-N 1 0 288.218 3.730 50 0 CHAARO C[N@@H+](Cc1cccc2cccnc21)C[C@H]1CCOC(C)(C)C1 ZINC000216013484 570304738 /nfs/dbraw/zinc/30/47/38/570304738.db2.gz PLTYVQDQPGHEBV-HNNXBMFYSA-N 1 0 298.430 3.872 50 0 CHAARO Cc1nc(CC[N@@H+]2CC[C@H]2c2ccc(F)cc2)cs1 ZINC000244701178 570320872 /nfs/dbraw/zinc/32/08/72/570320872.db2.gz KBPKCDYTUSBBHN-HNNXBMFYSA-N 1 0 276.380 3.580 50 0 CHAARO Cc1ccc([C@H](OCC[NH+](C)C)c2ccccc2C)cc1 ZINC000001999765 570326770 /nfs/dbraw/zinc/32/67/70/570326770.db2.gz BYKJZUIFODXLEW-IBGZPJMESA-N 1 0 283.415 3.971 50 0 CHAARO CC1(C)CCCC(C)(C)[NH+]1C[C@@H](O)COC1CCCCC1 ZINC000012384484 570338932 /nfs/dbraw/zinc/33/89/32/570338932.db2.gz BLNCMDHWGVNDTG-OAHLLOKOSA-N 1 0 297.483 3.740 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037128920 570362910 /nfs/dbraw/zinc/36/29/10/570362910.db2.gz LCGQRBWRJVEKIL-HNNXBMFYSA-N 1 0 275.421 3.801 50 0 CHAARO CCc1ccccc1OCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002821930 570371382 /nfs/dbraw/zinc/37/13/82/570371382.db2.gz FXIYMLSHBZTYLT-IYBDPMFKSA-N 1 0 275.436 3.996 50 0 CHAARO C[C@H]1CSc2ccccc2[C@@H]1[NH2+]Cc1ccco1 ZINC000095427053 570371835 /nfs/dbraw/zinc/37/18/35/570371835.db2.gz DEMVWLOJCWZKQT-XHDPSFHLSA-N 1 0 259.374 3.852 50 0 CHAARO COc1cc2cccnc2c(NCCCCCCC[NH3+])c1 ZINC000002179799 570375218 /nfs/dbraw/zinc/37/52/18/570375218.db2.gz VDJQFGSCZLINHG-UHFFFAOYSA-N 1 0 287.407 3.565 50 0 CHAARO COc1cc(C)ccc1OCCCC[NH2+]C1CCCC1 ZINC000002191210 570375147 /nfs/dbraw/zinc/37/51/47/570375147.db2.gz ZJHDNSWUMQZBJU-UHFFFAOYSA-N 1 0 277.408 3.695 50 0 CHAARO CCC[N@H+](CC)Cc1cccc(F)c1Br ZINC000158016916 570395295 /nfs/dbraw/zinc/39/52/95/570395295.db2.gz XLNCQOZRWANIEV-UHFFFAOYSA-N 1 0 274.177 3.820 50 0 CHAARO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N2CCCC2=O)cc1 ZINC000079064255 570396208 /nfs/dbraw/zinc/39/62/08/570396208.db2.gz SEDKIYSEGBUOIX-HOTGVXAUSA-N 1 0 298.430 3.820 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc[nH]c2)cc1 ZINC000068283742 570400955 /nfs/dbraw/zinc/40/09/55/570400955.db2.gz SOBKUNYMNGXAQK-CQSZACIVSA-N 1 0 297.402 3.641 50 0 CHAARO CC[C@H](C)C[N@H+]1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000039455658 570401232 /nfs/dbraw/zinc/40/12/32/570401232.db2.gz JHLFCHDHYLMVMS-ZFWWWQNUSA-N 1 0 277.408 3.714 50 0 CHAARO CC[C@@H](CCO)[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000077452801 570404790 /nfs/dbraw/zinc/40/47/90/570404790.db2.gz MNFUDVXKVZVBME-ZDUSSCGKSA-N 1 0 291.366 3.645 50 0 CHAARO CCCO[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000952982053 614951829 /nfs/dbraw/zinc/95/18/29/614951829.db2.gz VBWCNSPLRPTUNH-OAHLLOKOSA-N 1 0 273.376 3.824 50 0 CHAARO [NH3+]CC1(c2nc(-c3ccccc3)cs2)CCCC1 ZINC000084610487 1126815865 /nfs/dbraw/zinc/81/58/65/1126815865.db2.gz DVUWLSYLDMDTEK-UHFFFAOYSA-N 1 0 258.390 3.581 50 0 CHAARO CC1(C)CC(Nc2nc3cc(F)ccc3o2)CC(C)(C)[NH2+]1 ZINC000114446917 1127036603 /nfs/dbraw/zinc/03/66/03/1127036603.db2.gz MQBSLLXLPVNUKZ-UHFFFAOYSA-N 1 0 291.370 3.688 50 0 CHAARO Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131891750 1127761452 /nfs/dbraw/zinc/76/14/52/1127761452.db2.gz RTVHVDRYVBKOFG-QGZVFWFLSA-N 1 0 295.386 3.812 50 0 CHAARO Cc1ccc(CN2CCN(c3ccccc3Cl)CC2)o1 ZINC000000182757 1128084755 /nfs/dbraw/zinc/08/47/55/1128084755.db2.gz DJHPMNSGYPTMLA-UHFFFAOYSA-N 1 0 290.794 3.564 50 0 CHAARO c1cncc([C@H]2CCCC[N@H+]2C[C@@H]2CC=CCC2)c1 ZINC000022022987 1118174725 /nfs/dbraw/zinc/17/47/25/1118174725.db2.gz CIBSHJVEIGZLPS-NVXWUHKLSA-N 1 0 256.393 3.965 50 0 CHAARO Fc1ccc(OCCCCC[NH+]2CCCCC2)cc1 ZINC000002904073 1119157800 /nfs/dbraw/zinc/15/78/00/1119157800.db2.gz SSVDOXILJJIORA-UHFFFAOYSA-N 1 0 265.372 3.861 50 0 CHAARO Cc1noc(C)c1[C@@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000194519890 1119229205 /nfs/dbraw/zinc/22/92/05/1119229205.db2.gz PAFSCRLDADODMS-STQMWFEESA-N 1 0 272.392 3.788 50 0 CHAARO c1ccc(CC[C@H]2CCCC[N@@H+]2CCc2cccnc2)nc1 ZINC000019792892 1120191556 /nfs/dbraw/zinc/19/15/56/1120191556.db2.gz HPMJVMQYNPPQCS-LJQANCHMSA-N 1 0 295.430 3.506 50 0 CHAARO CC(C)CC(=O)N1CCCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000257196452 1120315580 /nfs/dbraw/zinc/31/55/80/1120315580.db2.gz YGGDAXGBNSNAIJ-KRWDZBQOSA-N 1 0 294.483 3.536 50 0 CHAARO CSC[C@H](C)[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000012074455 1120478127 /nfs/dbraw/zinc/47/81/27/1120478127.db2.gz UDCRNHAELDETHY-JTQLQIEISA-N 1 0 262.422 3.626 50 0 CHAARO COc1ccccc1CC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000004989326 1120938912 /nfs/dbraw/zinc/93/89/12/1120938912.db2.gz LAVSHUXWOROQLF-HNNXBMFYSA-N 1 0 299.414 3.554 50 0 CHAARO CCc1nccc(C[N@@H+](C)[C@H](CC)c2ccccc2)n1 ZINC000230550899 1121224482 /nfs/dbraw/zinc/22/44/82/1121224482.db2.gz QVZSSOLOUCNRGS-MRXNPFEDSA-N 1 0 269.392 3.622 50 0 CHAARO COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1F ZINC000069873638 1121241592 /nfs/dbraw/zinc/24/15/92/1121241592.db2.gz ZKHSTGOFJVAAMU-INIZCTEOSA-N 1 0 285.362 3.824 50 0 CHAARO c1ccc(-c2ncc3c(n2)CCC[C@@H]3[NH2+]C2CCC2)cc1 ZINC000015077881 1121634292 /nfs/dbraw/zinc/63/42/92/1121634292.db2.gz HVWWJRSAYWUPCJ-INIZCTEOSA-N 1 0 279.387 3.663 50 0 CHAARO Oc1cccc(C2CC[NH+](CCCCCF)CC2)c1 ZINC000252481996 1121652856 /nfs/dbraw/zinc/65/28/56/1121652856.db2.gz CWOJZUNHOWKMHM-UHFFFAOYSA-N 1 0 265.372 3.711 50 0 CHAARO C[C@H](c1ccncn1)[N@H+](C)Cc1ccccc1-c1ccco1 ZINC000215052291 1125425333 /nfs/dbraw/zinc/42/53/33/1125425333.db2.gz BISAAZJJEASEIX-CQSZACIVSA-N 1 0 293.370 3.930 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000215787248 1125426642 /nfs/dbraw/zinc/42/66/42/1125426642.db2.gz PPVQAVVKSNZNRS-QGZVFWFLSA-N 1 0 299.418 3.674 50 0 CHAARO Clc1ccc2[nH]c(CCC[NH2+]C3CCCC3)nc2c1 ZINC000825573883 1129323192 /nfs/dbraw/zinc/32/31/92/1129323192.db2.gz VRNUGBYJLRKVBF-UHFFFAOYSA-N 1 0 277.799 3.681 50 0 CHAARO COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1F ZINC000743863293 1129426625 /nfs/dbraw/zinc/42/66/25/1129426625.db2.gz ARFBBPWSSLSKEG-UHFFFAOYSA-N 1 0 263.356 3.600 50 0 CHAARO [NH3+][C@H](C1CCCCCC1)C1(O)CCCCCCC1 ZINC000958528177 1129530843 /nfs/dbraw/zinc/53/08/43/1129530843.db2.gz KRKKBOWSWFCMRW-OAHLLOKOSA-N 1 0 253.430 3.760 50 0 CHAARO [NH3+]CC1(c2ccccc2Br)CCCCC1 ZINC000055336145 1129778653 /nfs/dbraw/zinc/77/86/53/1129778653.db2.gz AJYAWFOLJUVJEX-UHFFFAOYSA-N 1 0 268.198 3.610 50 0 CHAARO CCN1CC[NH+](CCC2=C(C)CCCC2(C)C)CC1 ZINC000019362167 1129845360 /nfs/dbraw/zinc/84/53/60/1129845360.db2.gz SUURWYGCKAEOGP-UHFFFAOYSA-N 1 0 264.457 3.541 50 0 CHAARO Cc1ccc(C[N@H+](C)CC[C@@H]2CCCCO2)c2cccnc12 ZINC000952869330 1132015332 /nfs/dbraw/zinc/01/53/32/1132015332.db2.gz PIPIYNRZJQRWAZ-KRWDZBQOSA-N 1 0 298.430 3.934 50 0 CHAARO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000007786529 230370228 /nfs/dbraw/zinc/37/02/28/230370228.db2.gz CVCBPQBHUKNIIT-UHFFFAOYSA-N 1 0 294.826 3.851 50 0 CHAARO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc2ccccc2o1 ZINC000095968129 185046418 /nfs/dbraw/zinc/04/64/18/185046418.db2.gz GWPVQKBLQIGYOR-FKIZINRSSA-N 1 0 293.432 3.631 50 0 CHAARO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H](C)CC)c1 ZINC000095967328 185047166 /nfs/dbraw/zinc/04/71/66/185047166.db2.gz ATOQZLBCFDQYGP-KKUMJFAQSA-N 1 0 290.451 3.739 50 0 CHAARO Cc1ccc([C@@H](C)[NH2+]CCc2ncc(C)s2)s1 ZINC000095968531 185047439 /nfs/dbraw/zinc/04/74/39/185047439.db2.gz SVXPDOZJOSRSFS-LLVKDONJSA-N 1 0 266.435 3.715 50 0 CHAARO CCc1ccc([C@@H](C)[NH2+]CCCc2c(C)noc2C)o1 ZINC000095969135 185047822 /nfs/dbraw/zinc/04/78/22/185047822.db2.gz WMKHJBYJDBIMNO-GFCCVEGCSA-N 1 0 276.380 3.730 50 0 CHAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccs2)C2CC2)C12CCC2 ZINC000095987960 185056963 /nfs/dbraw/zinc/05/69/63/185056963.db2.gz PGEDMXQKTUGDRT-MGPQQGTHSA-N 1 0 292.448 3.532 50 0 CHAARO COc1cccnc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000096149802 185107562 /nfs/dbraw/zinc/10/75/62/185107562.db2.gz YUJLHKSXMBECEE-AWEZNQCLSA-N 1 0 282.387 3.914 50 0 CHAARO Cc1nccn1CCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000179502568 189198652 /nfs/dbraw/zinc/19/86/52/189198652.db2.gz FRSARIZSKNABEM-SFHVURJKSA-N 1 0 283.419 3.591 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CCO[C@@H]2C)o1 ZINC000225526727 189756583 /nfs/dbraw/zinc/75/65/83/189756583.db2.gz LMKYQIPQPORYNZ-WBMJQRKESA-N 1 0 289.350 3.661 50 0 CHAARO CC1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000000001672 169502947 /nfs/dbraw/zinc/50/29/47/169502947.db2.gz DKMFBWQBDIGMHM-UHFFFAOYSA-N 1 0 263.356 3.521 50 0 world CHAARO Fc1ccccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000000221453 169579626 /nfs/dbraw/zinc/57/96/26/169579626.db2.gz WUNLGTOLOUTCPE-UHFFFAOYSA-N 1 0 298.405 3.945 50 0 in-vitro CHAARO CCn1c(C)[n+](CC)c2cc(Cl)c(Cl)cc21 ZINC000000392334 169628203 /nfs/dbraw/zinc/62/82/03/169628203.db2.gz QQSONAPZEBELDW-UHFFFAOYSA-N 1 0 258.172 3.584 50 0 CHAARO c1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000001229367 134531851 /nfs/dbraw/zinc/53/18/51/134531851.db2.gz MPXKCXVZHJERPQ-UHFFFAOYSA-N 1 0 296.458 3.633 50 0 CHAARO Cc1cccc(N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000089672738 135059908 /nfs/dbraw/zinc/05/99/08/135059908.db2.gz DKCKDBTZSVLVFR-UHFFFAOYSA-N 1 0 272.436 3.697 50 0 CHAARO Cc1cc(OCC[NH2+]C(C)(C)C)cc(C)c1Cl ZINC000002933310 169845261 /nfs/dbraw/zinc/84/52/61/169845261.db2.gz PRZHPHWMFWGDOF-UHFFFAOYSA-N 1 0 255.789 3.724 50 0 CHAARO C[C@H]([NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000003638116 169905298 /nfs/dbraw/zinc/90/52/98/169905298.db2.gz ZOCMPVMKPVJTEP-KRWDZBQOSA-N 1 0 295.426 3.797 50 0 CHAARO O=C(CC[NH+]1CCCCCC1)Nc1cccc(Cl)c1 ZINC000004152900 169938660 /nfs/dbraw/zinc/93/86/60/169938660.db2.gz RVUJOKVCKJNZPW-UHFFFAOYSA-N 1 0 280.799 3.545 50 0 CHAARO COc1cc([C@@H]2CCCCC[NH2+]2)cc(Cl)c1OC ZINC000004237913 169946895 /nfs/dbraw/zinc/94/68/95/169946895.db2.gz LSKIDPJVZPRYAP-LBPRGKRZSA-N 1 0 269.772 3.562 50 0 CHAARO COc1ccc(C[NH2+]C2CCCCC2)cc1Br ZINC000004685512 169998385 /nfs/dbraw/zinc/99/83/85/169998385.db2.gz BTPGFGCYSXXOID-UHFFFAOYSA-N 1 0 298.224 3.880 50 0 CHAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000004743781 170009930 /nfs/dbraw/zinc/00/99/30/170009930.db2.gz UCDGRAQDXGRBCS-STQMWFEESA-N 1 0 294.826 3.647 50 0 CHAARO Cc1cc(-c2cccs2)cc(C)[n+]1-c1ccccc1N ZINC000004817241 170022844 /nfs/dbraw/zinc/02/28/44/170022844.db2.gz MYBAGJNKUCOENL-UHFFFAOYSA-N 1 0 281.404 3.891 50 0 CHAARO COc1ccc(C[N@@H+]2CCc3ccccc3C2)c(C)c1C ZINC000004838217 170026725 /nfs/dbraw/zinc/02/67/25/170026725.db2.gz UFXVNYKYMGBBBD-UHFFFAOYSA-N 1 0 281.399 3.870 50 0 CHAARO Clc1ccc(OCC[NH+]2CCCCC2)cc1Cl ZINC000004845287 170029276 /nfs/dbraw/zinc/02/92/76/170029276.db2.gz ZTTCPEMPWOYOKI-UHFFFAOYSA-N 1 0 274.191 3.858 50 0 CHAARO OCCCCCCCCCCC[NH+]1CCCCC1 ZINC000004854610 170031031 /nfs/dbraw/zinc/03/10/31/170031031.db2.gz WACLCTDOCWARAY-UHFFFAOYSA-N 1 0 255.446 3.976 50 0 CHAARO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c(OC)c1 ZINC000004891726 170036989 /nfs/dbraw/zinc/03/69/89/170036989.db2.gz STSLPNQNBVMGPK-GOSISDBHSA-N 1 0 297.398 3.871 50 0 CHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000004977474 170048208 /nfs/dbraw/zinc/04/82/08/170048208.db2.gz ZFCMHXQDHOCIMW-GOSISDBHSA-N 1 0 297.398 3.615 50 0 CHAARO COc1cc2c(cc1OC)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000004989388 170049783 /nfs/dbraw/zinc/04/97/83/170049783.db2.gz ONLQSTQNNRDBGB-UHFFFAOYSA-N 1 0 289.419 3.641 50 0 CHAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004989506 170049814 /nfs/dbraw/zinc/04/98/14/170049814.db2.gz IQQSZVDAPCWOQU-AWEZNQCLSA-N 1 0 283.371 3.526 50 0 CHAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(F)cc1 ZINC000004989454 170050029 /nfs/dbraw/zinc/05/00/29/170050029.db2.gz YOLGKMBQIMACLW-CYBMUJFWSA-N 1 0 273.351 3.642 50 0 CHAARO Brc1ccccc1C[NH+]1CCCCCC1 ZINC000004990205 170050417 /nfs/dbraw/zinc/05/04/17/170050417.db2.gz XSKQXJQSTMJABQ-UHFFFAOYSA-N 1 0 268.198 3.825 50 0 CHAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1 ZINC000005019259 170056788 /nfs/dbraw/zinc/05/67/88/170056788.db2.gz DBCSHZOYTICMCR-OAHLLOKOSA-N 1 0 285.387 3.507 50 0 CHAARO Cc1ccc2[nH]cc(C(=O)C[N@H+]3CCCC[C@H]3C)c2c1 ZINC000005477754 170103187 /nfs/dbraw/zinc/10/31/87/170103187.db2.gz KTHKMDBWAFJPFK-CYBMUJFWSA-N 1 0 270.376 3.533 50 0 CHAARO Cc1ccc2[nH]cc(C(=O)C[NH+]3C[C@H](C)C[C@@H](C)C3)c2c1 ZINC000005562918 170114380 /nfs/dbraw/zinc/11/43/80/170114380.db2.gz HNRFCWZHAGGJBO-ZIAGYGMSSA-N 1 0 284.403 3.637 50 0 CHAARO Cn1c(C[NH2+]CCc2ccccc2)cc2ccccc21 ZINC000006675641 170225554 /nfs/dbraw/zinc/22/55/54/170225554.db2.gz IRHZNZJTWJMSOQ-UHFFFAOYSA-N 1 0 264.372 3.511 50 0 CHAARO CCOc1ccc(Br)cc1C[NH2+]C1CCCC1 ZINC000006704028 170230554 /nfs/dbraw/zinc/23/05/54/170230554.db2.gz ZMBXTALZNKKEEP-UHFFFAOYSA-N 1 0 298.224 3.880 50 0 CHAARO CCOc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000008324496 170330811 /nfs/dbraw/zinc/33/08/11/170330811.db2.gz ZNOCDFPCRDZSIU-UHFFFAOYSA-N 1 0 253.773 3.771 50 0 CHAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O ZINC000008700885 170346620 /nfs/dbraw/zinc/34/66/20/170346620.db2.gz WTUXHOHIYDMSNT-UHFFFAOYSA-N 1 0 278.783 3.744 50 0 CHAARO C[NH+]1CCC2(CC1)O[C@@H]1CCCC[C@H]1c1sccc12 ZINC000008782740 170356068 /nfs/dbraw/zinc/35/60/68/170356068.db2.gz JVVJQXXUHSTANP-TZMCWYRMSA-N 1 0 277.433 3.725 50 0 CHAARO CCC(CC)[NH2+]Cc1cccnc1Oc1ccc(C)nc1 ZINC000011821748 170444108 /nfs/dbraw/zinc/44/41/08/170444108.db2.gz MWOLJPHUOSPSBZ-UHFFFAOYSA-N 1 0 285.391 3.856 50 0 CHAARO c1ccc(CCC[NH2+]CCCc2ccccc2)cc1 ZINC000013736036 170584208 /nfs/dbraw/zinc/58/42/08/170584208.db2.gz PJRWBXNJMDXTJL-UHFFFAOYSA-N 1 0 253.389 3.842 50 0 CHAARO CC(C)[NH+](CCNC(=O)c1ccc2ccccc2c1)C(C)C ZINC000014182298 170622203 /nfs/dbraw/zinc/62/22/03/170622203.db2.gz QFJUWIJFTJYYNG-UHFFFAOYSA-N 1 0 298.430 3.688 50 0 CHAARO c1ccc(-c2ccc(COCC3CC[NH2+]CC3)cc2)cc1 ZINC000014631399 170640545 /nfs/dbraw/zinc/64/05/45/170640545.db2.gz XFOXDMCZHBCEJR-UHFFFAOYSA-N 1 0 281.399 3.870 50 0 CHAARO c1ccc(-c2ncc3c(n2)CCC[C@H]3[NH2+]C2CCC2)cc1 ZINC000015077879 170656532 /nfs/dbraw/zinc/65/65/32/170656532.db2.gz HVWWJRSAYWUPCJ-MRXNPFEDSA-N 1 0 279.387 3.663 50 0 CHAARO c1ccc(COc2ccc(C3=CC[NH2+]CC3)cc2)cc1 ZINC000019399986 170784815 /nfs/dbraw/zinc/78/48/15/170784815.db2.gz CCWCFKPGSZQLMX-UHFFFAOYSA-N 1 0 265.356 3.642 50 0 CHAARO CC(C)COc1ccc2c(c1)c1c3n2C[NH2+]C[C@H]3CCC1 ZINC000019925153 170929583 /nfs/dbraw/zinc/92/95/83/170929583.db2.gz HERGBHMBDDGYGX-CYBMUJFWSA-N 1 0 284.403 3.657 50 0 CHAARO COc1ccc2cc(C[NH2+]Cc3cccnc3)ccc2c1 ZINC000020140579 171026552 /nfs/dbraw/zinc/02/65/52/171026552.db2.gz KGNQETSHBRWYGO-UHFFFAOYSA-N 1 0 278.355 3.533 50 0 CHAARO Clc1cccc(OCC[C@@H]2CCCC[NH2+]2)c1Cl ZINC000020221549 171082826 /nfs/dbraw/zinc/08/28/26/171082826.db2.gz WRRWENKACABDCY-JTQLQIEISA-N 1 0 274.191 3.904 50 0 CHAARO CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC000020547904 171245264 /nfs/dbraw/zinc/24/52/64/171245264.db2.gz IWSCGDKRPZIJCK-CQSZACIVSA-N 1 0 289.250 3.669 50 0 CHAARO OCC[C@@H]1CCCC[N@@H+]1CCCc1ccccc1Cl ZINC000020909423 171278802 /nfs/dbraw/zinc/27/88/02/171278802.db2.gz WUFVVBDJZVHKLF-HNNXBMFYSA-N 1 0 281.827 3.510 50 0 CHAARO C[N@H+](CC[C@@H](c1ccco1)c1ccccc1)C1CCOCC1 ZINC000020997530 171284389 /nfs/dbraw/zinc/28/43/89/171284389.db2.gz WNDJYOQQXVFCAR-GOSISDBHSA-N 1 0 299.414 3.912 50 0 CHAARO CC(C)C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000038095569 174109603 /nfs/dbraw/zinc/10/96/03/174109603.db2.gz DONACSAWZIPZOL-DLBZAZTESA-N 1 0 261.409 3.933 50 0 CHAARO COc1cccc(C[N@H+](C)Cc2ccccc2C)c1OC ZINC000040161698 174196226 /nfs/dbraw/zinc/19/62/26/174196226.db2.gz RQAINWCOGIYTNP-UHFFFAOYSA-N 1 0 285.387 3.644 50 0 CHAARO CCc1[nH+]c2c(c(C)c(C)n2-c2ncccc2C)c(N)c1C ZINC000040285029 174219562 /nfs/dbraw/zinc/21/95/62/174219562.db2.gz DNTDYASYNKALRH-UHFFFAOYSA-N 1 0 294.402 3.799 50 0 CHAARO Clc1ccc(C[n+]2ccc3c(c2)CCCC3)s1 ZINC000042633186 174831760 /nfs/dbraw/zinc/83/17/60/174831760.db2.gz RJJBUJMORVXIBA-UHFFFAOYSA-N 1 0 264.801 3.616 50 0 CHAARO c1ccc2sc(SCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000043499426 175058734 /nfs/dbraw/zinc/05/87/34/175058734.db2.gz SQDKIJHEMJDHNW-LLVKDONJSA-N 1 0 278.446 3.921 50 0 CHAARO OCCCCCCCCCC[NH2+]Cc1ccccc1 ZINC000044069078 175140818 /nfs/dbraw/zinc/14/08/18/175140818.db2.gz PZKWYQBXXXKOOF-UHFFFAOYSA-N 1 0 263.425 3.889 50 0 CHAARO C[C@@H](C1CC1)[N@H+](Cc1nc(-c2cccs2)no1)C1CC1 ZINC000046060047 175391439 /nfs/dbraw/zinc/39/14/39/175391439.db2.gz IYBNJQLQTMMMBW-JTQLQIEISA-N 1 0 289.404 3.561 50 0 CHAARO COc1ccc2c(Nc3ccccc3)cc[nH+]c2c1 ZINC000054202351 175555876 /nfs/dbraw/zinc/55/58/76/175555876.db2.gz AAFNUOALMBXNLV-UHFFFAOYSA-N 1 0 250.301 3.987 50 0 CHAARO c1cn(CCCC[NH+]2CCCCCC2)c(-c2cccnc2)n1 ZINC000071614000 176233761 /nfs/dbraw/zinc/23/37/61/176233761.db2.gz NCPVRYMMYGUMOE-UHFFFAOYSA-N 1 0 298.434 3.601 50 0 CHAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2cccnc2)c1 ZINC000071746187 176258320 /nfs/dbraw/zinc/25/83/20/176258320.db2.gz NAVMILZNYBGFKA-QGZVFWFLSA-N 1 0 282.387 3.529 50 0 CHAARO C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)[NH2+]Cc1ccco1 ZINC000072334037 176370425 /nfs/dbraw/zinc/37/04/25/176370425.db2.gz HECRTIIJPYRXOR-CKEIUWERSA-N 1 0 289.419 3.955 50 0 CHAARO Cc1cccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072408685 176398240 /nfs/dbraw/zinc/39/82/40/176398240.db2.gz UJUBEEHXJIZKFN-GOSISDBHSA-N 1 0 266.388 3.770 50 0 CHAARO COc1ccccc1CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000065427640 260242604 /nfs/dbraw/zinc/24/26/04/260242604.db2.gz GACKGLGMJNEAHX-LJQANCHMSA-N 1 0 295.426 3.775 50 0 CHAARO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000309882480 262045149 /nfs/dbraw/zinc/04/51/49/262045149.db2.gz KAEJVAARGKLQPM-GJZGRUSLSA-N 1 0 269.388 3.977 50 0 CHAARO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000309882481 262045420 /nfs/dbraw/zinc/04/54/20/262045420.db2.gz KAEJVAARGKLQPM-HUUCEWRRSA-N 1 0 269.388 3.977 50 0 CHAARO C[N@H+](CCc1ccccc1)Cc1ccc(Br)o1 ZINC000023282006 266022625 /nfs/dbraw/zinc/02/26/25/266022625.db2.gz RCMOMVQOLJMNIS-UHFFFAOYSA-N 1 0 294.192 3.717 50 0 CHAARO CC[C@](C)(CC[NH2+]C1CCOCC1)c1ccccc1OC ZINC000534592742 328318676 /nfs/dbraw/zinc/31/86/76/328318676.db2.gz GVGRGPQYTBDCDU-GOSISDBHSA-N 1 0 291.435 3.522 50 0 CHAARO Clc1cc(Br)ccc1C[NH2+]C1CCC1 ZINC000126788988 326870617 /nfs/dbraw/zinc/87/06/17/326870617.db2.gz YBBGVSMYYDMTFM-UHFFFAOYSA-N 1 0 274.589 3.745 50 0 CHAARO COc1ccc(CC[C@H](C)[NH2+]CCc2ccccc2)cc1 ZINC000004989246 330487888 /nfs/dbraw/zinc/48/78/88/330487888.db2.gz MWKXGEKGFMPIAJ-INIZCTEOSA-N 1 0 283.415 3.849 50 0 CHAARO CC1(C)Cc2cccc(CC[NH2+]Cc3ccccc3)c2O1 ZINC000521398214 333117940 /nfs/dbraw/zinc/11/79/40/333117940.db2.gz XQGVINHEJBMYSD-UHFFFAOYSA-N 1 0 281.399 3.732 50 0 CHAARO c1cc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)co1 ZINC000176634330 335314686 /nfs/dbraw/zinc/31/46/86/335314686.db2.gz IAYRRHGBMCQLMN-OAHLLOKOSA-N 1 0 269.344 3.816 50 0 CHAARO Cc1cccc2nc(C3CC[NH+](C4CCC4)CC3)oc21 ZINC000194834421 336039215 /nfs/dbraw/zinc/03/92/15/336039215.db2.gz COOPFSDQAQTMHY-UHFFFAOYSA-N 1 0 270.376 3.868 50 0 CHAARO Cc1ccc(-c2ccc(O[C@H]3C[NH+]4CCC3CC4)cn2)cc1 ZINC000003942685 534187845 /nfs/dbraw/zinc/18/78/45/534187845.db2.gz NPDLTEZXGWRMLQ-IBGZPJMESA-N 1 0 294.398 3.530 50 0 in-man CHAARO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c2ccccc2n1 ZINC000284825722 524686825 /nfs/dbraw/zinc/68/68/25/524686825.db2.gz QBYDOBIAFNJPSB-RTBURBONSA-N 1 0 296.414 3.687 50 0 CHAARO c1cnc2c(c1)cccc2-c1ccc2c(c1)C[NH2+]CC2 ZINC000067872552 526543130 /nfs/dbraw/zinc/54/31/30/526543130.db2.gz CWUZJMWYVIDFHS-UHFFFAOYSA-N 1 0 260.340 3.548 50 0 CHAARO CCCc1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)n[nH]1 ZINC000426597207 528680615 /nfs/dbraw/zinc/68/06/15/528680615.db2.gz JPHJXNFUDBPDBY-CQSZACIVSA-N 1 0 298.434 3.971 50 0 CHAARO CC(C)(C)c1cc(Cl)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042775316 567892018 /nfs/dbraw/zinc/89/20/18/567892018.db2.gz RFNZEIUVQYRMGZ-GFCCVEGCSA-N 1 0 267.800 3.768 50 0 CHAARO Cc1noc(C)c1C[NH+]1CCC[C@H]1CCc1ccccc1 ZINC000052106043 566831768 /nfs/dbraw/zinc/83/17/68/566831768.db2.gz XTNPHRQYYINREA-KRWDZBQOSA-N 1 0 284.403 3.889 50 0 CHAARO CCc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2)cc1 ZINC000034992694 566844216 /nfs/dbraw/zinc/84/42/16/566844216.db2.gz PAUFDTIRFCOIDA-ZDUSSCGKSA-N 1 0 255.361 3.805 50 0 CHAARO Cc1ccc(C)c(NC(=O)[C@H]([NH2+]C(C)C)c2ccccc2)c1 ZINC000003413934 566848845 /nfs/dbraw/zinc/84/88/45/566848845.db2.gz HKEUSTHPWBAXDQ-GOSISDBHSA-N 1 0 296.414 3.981 50 0 CHAARO CC[N@H+](CCOC)Cc1cnc(-c2ccccc2C)s1 ZINC000299781198 566853749 /nfs/dbraw/zinc/85/37/49/566853749.db2.gz FCMRZASICOFFNP-UHFFFAOYSA-N 1 0 290.432 3.587 50 0 CHAARO C[C@H](c1cccc(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093952504 566881932 /nfs/dbraw/zinc/88/19/32/566881932.db2.gz OXRRHZUMZJTZFD-CZUORRHYSA-N 1 0 278.827 3.571 50 0 CHAARO c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000084598423 566885440 /nfs/dbraw/zinc/88/54/40/566885440.db2.gz UTBZSIKFIQSCSN-LJQANCHMSA-N 1 0 294.442 3.900 50 0 CHAARO c1ccc(C(OCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000033856899 566893196 /nfs/dbraw/zinc/89/31/96/566893196.db2.gz TVHMTKGECLFVJE-UHFFFAOYSA-N 1 0 281.399 3.888 50 0 CHAARO COc1cc2c(cc1OC)C(C)(C)C[NH2+][C@@H]2c1ccccc1 ZINC000041498076 566897748 /nfs/dbraw/zinc/89/77/48/566897748.db2.gz CSBSKOYHZJQRMM-GOSISDBHSA-N 1 0 297.398 3.674 50 0 CHAARO C1=CC[C@@H](COc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000299756468 566906281 /nfs/dbraw/zinc/90/62/81/566906281.db2.gz FLYQMUANWYQIJN-OAHLLOKOSA-N 1 0 257.377 3.674 50 0 CHAARO COC(=O)C[C@H](C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000097844350 566916773 /nfs/dbraw/zinc/91/67/73/566916773.db2.gz WLFQLYRDPDIREX-INIZCTEOSA-N 1 0 297.398 3.640 50 0 CHAARO Cc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccsc2)c1 ZINC000012917019 566926909 /nfs/dbraw/zinc/92/69/09/566926909.db2.gz GGKPXLODLVSJTN-CYBMUJFWSA-N 1 0 288.416 3.516 50 0 CHAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1C ZINC000003736575 566933350 /nfs/dbraw/zinc/93/33/50/566933350.db2.gz GTGBFYKASMCWBS-SFHVURJKSA-N 1 0 292.382 3.720 50 0 CHAARO c1csc(C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000575604114 566943922 /nfs/dbraw/zinc/94/39/22/566943922.db2.gz QUICIYWOBQDNSG-UHFFFAOYSA-N 1 0 258.390 3.523 50 0 CHAARO OCC[N@H+](Cc1csc2ccccc12)Cc1ccccc1 ZINC000075279510 566940804 /nfs/dbraw/zinc/94/08/04/566940804.db2.gz VXFLMHJFLRUDTR-UHFFFAOYSA-N 1 0 297.423 3.896 50 0 CHAARO c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000053602532 566943727 /nfs/dbraw/zinc/94/37/27/566943727.db2.gz PPGXXSWSJITSJG-LJQANCHMSA-N 1 0 289.382 3.649 50 0 CHAARO C[C@@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C1 ZINC000239306242 566965710 /nfs/dbraw/zinc/96/57/10/566965710.db2.gz GPNLJAZAPSEYDT-BCDXTJNWSA-N 1 0 267.372 3.603 50 0 CHAARO CC[NH2+]Cc1cccc(-c2cncc(C(F)F)c2)c1 ZINC000521398302 566977497 /nfs/dbraw/zinc/97/74/97/566977497.db2.gz AKKZGFOBHUKKDH-UHFFFAOYSA-N 1 0 262.303 3.796 50 0 CHAARO COc1ncnc(C)c1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000426376292 566987270 /nfs/dbraw/zinc/98/72/70/566987270.db2.gz HDPNVUGATAJFCB-AWEZNQCLSA-N 1 0 297.402 3.617 50 0 CHAARO C[C@@H](c1ccc(-c2[nH]nc3ncccc32)cc1)[NH+]1CCCC1 ZINC000426511853 566988863 /nfs/dbraw/zinc/98/88/63/566988863.db2.gz XSNAAUHRMNONOC-ZDUSSCGKSA-N 1 0 292.386 3.782 50 0 CHAARO CCC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000036100394 566994950 /nfs/dbraw/zinc/99/49/50/566994950.db2.gz KHYNVCFEVQCVFM-QGZVFWFLSA-N 1 0 263.425 3.614 50 0 CHAARO C[C@H]([NH2+]CCc1cccc2cccnc21)c1cncc(F)c1 ZINC000089904610 567030940 /nfs/dbraw/zinc/03/09/40/567030940.db2.gz FZYSQXYTGPFRMB-ZDUSSCGKSA-N 1 0 295.361 3.662 50 0 CHAARO CCc1cc(OCCOCC[NH2+][C@H](C)CC)ccc1Cl ZINC000002823963 567037202 /nfs/dbraw/zinc/03/72/02/567037202.db2.gz AWSMSAVKKBDDSY-CYBMUJFWSA-N 1 0 299.842 3.686 50 0 CHAARO CC(C)(O)c1ccc(C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000193305063 567058316 /nfs/dbraw/zinc/05/83/16/567058316.db2.gz KBNFAQQVJJKJDE-INIZCTEOSA-N 1 0 285.387 3.674 50 0 CHAARO COc1ccc2[nH]c(-c3ccccc3)c(CC[NH+](C)C)c2c1 ZINC000013805807 567062853 /nfs/dbraw/zinc/06/28/53/567062853.db2.gz VSGPGYWZVPDDSK-UHFFFAOYSA-N 1 0 294.398 3.948 50 0 in-vitro CHAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(F)cc2)cnn1C(C)C ZINC000252536337 567064365 /nfs/dbraw/zinc/06/43/65/567064365.db2.gz IEWDEEFLTPHGQJ-GFCCVEGCSA-N 1 0 275.371 3.762 50 0 CHAARO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCc1ccncc1 ZINC000195347990 567069601 /nfs/dbraw/zinc/06/96/01/567069601.db2.gz VKAJRTWNGWUBSI-ZDUSSCGKSA-N 1 0 297.427 3.927 50 0 CHAARO CC(C)c1c(-c2ccccc2)[n+](=O)c2c(n1O)CCCCC2 ZINC000136832912 567092732 /nfs/dbraw/zinc/09/27/32/567092732.db2.gz HOMMBHDHJHDLGE-UHFFFAOYSA-N 1 0 299.394 3.699 50 0 CHAARO Fc1cccc([C@H]2NCc3ccccc3-n3cccc32)c1F ZINC000055211079 567112725 /nfs/dbraw/zinc/11/27/25/567112725.db2.gz XEZKNBOSTNZURO-GOSISDBHSA-N 1 0 296.320 3.948 50 0 CHAARO Cc1ccccc1[C@H]([NH2+]Cc1ncc[nH]1)C(C)(C)C ZINC000080347432 567129408 /nfs/dbraw/zinc/12/94/08/567129408.db2.gz RJOQDENIAXTRHU-HNNXBMFYSA-N 1 0 257.381 3.595 50 0 CHAARO Cc1ccccc1[C@H]([NH2+]Cc1cnn(C)c1)C(C)(C)C ZINC000080347487 567129767 /nfs/dbraw/zinc/12/97/67/567129767.db2.gz CFEFNAFKVNKKGN-INIZCTEOSA-N 1 0 271.408 3.606 50 0 CHAARO CC(C)n1cc([C@H](C)[NH2+]C[C@H](C)c2cccs2)cn1 ZINC000095422763 567131122 /nfs/dbraw/zinc/13/11/22/567131122.db2.gz VHAKQNZQLUUHTP-STQMWFEESA-N 1 0 277.437 3.980 50 0 CHAARO CC(C)CSC[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000095419216 567131654 /nfs/dbraw/zinc/13/16/54/567131654.db2.gz JNGLMTALZAJMGS-QWHCGFSZSA-N 1 0 252.427 3.510 50 0 CHAARO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](C)c2cccs2)cn1 ZINC000095422762 567132261 /nfs/dbraw/zinc/13/22/61/567132261.db2.gz VHAKQNZQLUUHTP-QWHCGFSZSA-N 1 0 277.437 3.980 50 0 CHAARO CC(C)[N@@H+](Cc1cccc(F)c1F)C[C@@H]1CCCCO1 ZINC000095455742 567134652 /nfs/dbraw/zinc/13/46/52/567134652.db2.gz HGFLOTRBOMSHDB-AWEZNQCLSA-N 1 0 283.362 3.744 50 0 CHAARO CC[NH+](CC)[C@@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000096026534 567136359 /nfs/dbraw/zinc/13/63/59/567136359.db2.gz GHIBIFOXSMSIMJ-INIZCTEOSA-N 1 0 283.415 3.653 50 0 CHAARO C[C@H]1C[N@H+](C)CC2=C1Oc1ccc3ccccc3c1C2 ZINC000096028020 567138530 /nfs/dbraw/zinc/13/85/30/567138530.db2.gz YMGGONRCAIZPMW-LBPRGKRZSA-N 1 0 265.356 3.610 50 0 CHAARO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC[C@H](c3cc[nH]n3)C1)=CC2 ZINC000299786294 567148743 /nfs/dbraw/zinc/14/87/43/567148743.db2.gz QJHOTSXWOSFSND-JYJNAYRXSA-N 1 0 285.435 3.582 50 0 CHAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000057303735 567155508 /nfs/dbraw/zinc/15/55/08/567155508.db2.gz KRCVHDLQZUNNTM-LBPRGKRZSA-N 1 0 288.778 3.629 50 0 CHAARO Cc1ccc2c(C[N@H+](C)Cc3ccccc3)cc(=O)oc2c1 ZINC000057406051 567156397 /nfs/dbraw/zinc/15/63/97/567156397.db2.gz LIGMMUNUVGGDQE-UHFFFAOYSA-N 1 0 293.366 3.733 50 0 CHAARO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000230274895 567160053 /nfs/dbraw/zinc/16/00/53/567160053.db2.gz UOPMUMWVDWYHNI-DOTOQJQBSA-N 1 0 279.424 3.541 50 0 CHAARO c1[nH]c2ccccc2c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000000151283 567820520 /nfs/dbraw/zinc/82/05/20/567820520.db2.gz AJZHZUSLJZOJHC-UHFFFAOYSA-N 1 0 297.446 3.618 50 0 CHAARO CC(C)c1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1 ZINC000000213046 567822435 /nfs/dbraw/zinc/82/24/35/567822435.db2.gz LOTKUUXABDKAIX-OAHLLOKOSA-N 1 0 254.377 3.745 50 0 CHAARO CC1CC[NH+](C2CCN(Cc3ccccc3F)CC2)CC1 ZINC000000317992 567825299 /nfs/dbraw/zinc/82/52/99/567825299.db2.gz DNHRVWPBXOFHSP-UHFFFAOYSA-N 1 0 290.426 3.522 50 0 CHAARO Fc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000000360327 567826850 /nfs/dbraw/zinc/82/68/50/567826850.db2.gz TWUDJESNPPLFEB-UHFFFAOYSA-N 1 0 294.167 3.878 50 0 CHAARO c1ccc(C[NH+]2CCC(Nc3ccccc3)CC2)cc1 ZINC000000393830 567828615 /nfs/dbraw/zinc/82/86/15/567828615.db2.gz FSXGJIFBTBJMHV-UHFFFAOYSA-N 1 0 266.388 3.763 50 0 in-vitro CHAARO COc1cc(C)c(C[NH2+]CCc2ccccc2)cc1C ZINC000002059329 567844584 /nfs/dbraw/zinc/84/45/84/567844584.db2.gz JYRULRQWXNJIAP-UHFFFAOYSA-N 1 0 269.388 3.644 50 0 CHAARO C[NH+](C)CCCCc1c2c(cc3c1CCC3)CCC2 ZINC000002193162 567845146 /nfs/dbraw/zinc/84/51/46/567845146.db2.gz PZGZGSYRQUAJKG-UHFFFAOYSA-N 1 0 257.421 3.548 50 0 CHAARO CC[NH+](CC)CCOC(=O)CCc1cccc2ccccc21 ZINC000002187370 567845282 /nfs/dbraw/zinc/84/52/82/567845282.db2.gz WSYCNOZBOHYBKN-UHFFFAOYSA-N 1 0 299.414 3.657 50 0 CHAARO Clc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)cc1 ZINC000002435245 567845761 /nfs/dbraw/zinc/84/57/61/567845761.db2.gz LGJAXSGTPKDJHN-AWEZNQCLSA-N 1 0 291.778 3.869 50 0 CHAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)cc1C ZINC000002514903 567846382 /nfs/dbraw/zinc/84/63/82/567846382.db2.gz ALWQETUJWSDKFS-UHFFFAOYSA-N 1 0 291.394 3.906 50 0 CHAARO C[NH+](C)CCC(=O)c1ccc(-c2cccs2)s1 ZINC000002518852 567847508 /nfs/dbraw/zinc/84/75/08/567847508.db2.gz FUJFRXHAUZNVHX-UHFFFAOYSA-N 1 0 265.403 3.611 50 0 CHAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cccc(F)c1 ZINC000003904967 567854195 /nfs/dbraw/zinc/85/41/95/567854195.db2.gz UBNHRPVZGCZIMM-MELADBBJSA-N 1 0 293.382 3.634 50 0 CHAARO Cc1ccc(C(=O)O[C@@H](C)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000003904895 567854377 /nfs/dbraw/zinc/85/43/77/567854377.db2.gz VMMIODCQIXEPNU-XHSDSOJGSA-N 1 0 289.419 3.803 50 0 CHAARO CCCC[N@H+](C)Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000004036822 567855166 /nfs/dbraw/zinc/85/51/66/567855166.db2.gz VJBYPCXVFUJTBN-UHFFFAOYSA-N 1 0 292.810 3.722 50 0 CHAARO CC(C)(C)OC(=O)NCCCCCCCCCC[NH3+] ZINC000004202978 567855827 /nfs/dbraw/zinc/85/58/27/567855827.db2.gz RSAPJHYIFKJREV-UHFFFAOYSA-N 1 0 272.433 3.591 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOCCSc2ccccc2)C1 ZINC000004568467 567858022 /nfs/dbraw/zinc/85/80/22/567858022.db2.gz RHUQQLBVJSNVLJ-IYBDPMFKSA-N 1 0 293.476 3.773 50 0 CHAARO C[C@H](c1ccncc1)[N@H+](C)Cc1cnc2ccsc2c1 ZINC000097375308 567859776 /nfs/dbraw/zinc/85/97/76/567859776.db2.gz HFLYHUWEAIXAQD-GFCCVEGCSA-N 1 0 283.400 3.884 50 0 CHAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1cnc2ccsc2c1 ZINC000097375307 567859968 /nfs/dbraw/zinc/85/99/68/567859968.db2.gz HFLYHUWEAIXAQD-LBPRGKRZSA-N 1 0 283.400 3.884 50 0 CHAARO COc1cc(C[NH2+]C(C)C)ccc1OCCc1ccccc1 ZINC000010436289 567861637 /nfs/dbraw/zinc/86/16/37/567861637.db2.gz HMSLXHYSVKOCFG-UHFFFAOYSA-N 1 0 299.414 3.815 50 0 CHAARO c1[nH]c2ccccc2c1CC[NH2+]CCc1ccccc1 ZINC000010475280 567861926 /nfs/dbraw/zinc/86/19/26/567861926.db2.gz QKTKEGNRYNZERL-UHFFFAOYSA-N 1 0 264.372 3.543 50 0 biogenic CHAARO CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000012200637 567862686 /nfs/dbraw/zinc/86/26/86/567862686.db2.gz ONPQTTYHSFYLBK-OAHLLOKOSA-N 1 0 273.420 3.899 50 0 CHAARO CC[C@H]1CCCC[N@@H+]1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000004336975 567863463 /nfs/dbraw/zinc/86/34/63/567863463.db2.gz MQENFRBYUSXJEN-AWEZNQCLSA-N 1 0 284.403 3.924 50 0 CHAARO Cc1nc2scc(-c3ccccc3)c2c(-n2ccnc2)n1 ZINC000012629032 567864110 /nfs/dbraw/zinc/86/41/10/567864110.db2.gz WOYUQUFPWOIPLC-UHFFFAOYSA-N 1 0 292.367 3.852 50 0 CHAARO CC(C)CC[NH2+]Cc1ccc(Br)cc1 ZINC000013717823 567866964 /nfs/dbraw/zinc/86/69/64/567866964.db2.gz MLSMWAYDNPJGJI-UHFFFAOYSA-N 1 0 256.187 3.585 50 0 CHAARO CC1=CSc2n(c3ccccc3[n+]2Cc2ccccc2)C1 ZINC000013739510 567867607 /nfs/dbraw/zinc/86/76/07/567867607.db2.gz YEEUNSNVSYWLNC-UHFFFAOYSA-N 1 0 293.415 3.987 50 0 CHAARO c1ccc2c(c1)cccc2OCC[C@@H]1CCCC[NH2+]1 ZINC000014632341 567869410 /nfs/dbraw/zinc/86/94/10/567869410.db2.gz GBJFYVRQODIXHX-HNNXBMFYSA-N 1 0 255.361 3.751 50 0 CHAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]C1CCCCC1 ZINC000015070041 567870265 /nfs/dbraw/zinc/87/02/65/567870265.db2.gz MLYJAHMWLJYWLU-ZDUSSCGKSA-N 1 0 296.418 3.830 50 0 CHAARO C[C@@H]1C[N@@H+](C2CCCCC2)CC[C@@]1(O)c1ccccc1 ZINC000016310270 567872691 /nfs/dbraw/zinc/87/26/91/567872691.db2.gz HAAVQZPZYWUDMD-QAPCUYQASA-N 1 0 273.420 3.549 50 0 CHAARO Cc1cccc(N2CCc3c2[nH+]c2ccccc2c3N)c1 ZINC000018283732 567877089 /nfs/dbraw/zinc/87/70/89/567877089.db2.gz TWKBMFXNTDXITI-UHFFFAOYSA-N 1 0 275.355 3.820 50 0 aggregator CHAARO CC[NH+](CC)CCN(C)Cc1cccc2ccccc21 ZINC000019635923 567878050 /nfs/dbraw/zinc/87/80/50/567878050.db2.gz SIXYNFWXRLBTFM-UHFFFAOYSA-N 1 0 270.420 3.613 50 0 CHAARO c1cc2ccc(C[NH2+]CCc3ccccc3)cc2[nH]1 ZINC000019737384 567878531 /nfs/dbraw/zinc/87/85/31/567878531.db2.gz RKUUFEZQKGWYJD-UHFFFAOYSA-N 1 0 250.345 3.500 50 0 CHAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000019789521 567879359 /nfs/dbraw/zinc/87/93/59/567879359.db2.gz WEUUGBGZAAIOQR-YJBOKZPZSA-N 1 0 290.426 3.522 50 0 CHAARO Cc1cccc(CN2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000019841257 567879381 /nfs/dbraw/zinc/87/93/81/567879381.db2.gz CEQWMOOKWAGFBY-UHFFFAOYSA-N 1 0 294.442 3.621 50 0 CHAARO CC(C)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019900126 567879820 /nfs/dbraw/zinc/87/98/20/567879820.db2.gz LFWRZYKKSZTERA-UHFFFAOYSA-N 1 0 286.463 3.739 50 0 CHAARO Clc1ccc(CC[NH2+]Cc2ccccn2)c(Cl)c1 ZINC000019915994 567879989 /nfs/dbraw/zinc/87/99/89/567879989.db2.gz ANGFWFKEEBOZRS-UHFFFAOYSA-N 1 0 281.186 3.721 50 0 CHAARO C[C@@H]1CC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000023280493 567881647 /nfs/dbraw/zinc/88/16/47/567881647.db2.gz MUKACTBNOKAZQD-CJNGLKHVSA-N 1 0 278.827 3.651 50 0 CHAARO C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000026908492 567883170 /nfs/dbraw/zinc/88/31/70/567883170.db2.gz XVNKBBUKWDENTD-IAQYHMDHSA-N 1 0 291.391 3.540 50 0 CHAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccs2)cc1 ZINC000030640852 567884798 /nfs/dbraw/zinc/88/47/98/567884798.db2.gz CPRYWINAEVIQTQ-LBPRGKRZSA-N 1 0 288.416 3.947 50 0 CHAARO C[N@H+](Cc1ccc(Br)o1)Cc1ccccc1 ZINC000000278768 567887278 /nfs/dbraw/zinc/88/72/78/567887278.db2.gz CGZGBBKZLOCSRV-UHFFFAOYSA-N 1 0 280.165 3.674 50 0 CHAARO C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000214848 567887444 /nfs/dbraw/zinc/88/74/44/567887444.db2.gz ZRLLHUDFZDCCPR-XJKSGUPXSA-N 1 0 278.827 3.651 50 0 CHAARO Cc1ccc(C)c(N2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)c1 ZINC000016662631 567887801 /nfs/dbraw/zinc/88/78/01/567887801.db2.gz IWSJNYGMEDQMRG-YOEHRIQHSA-N 1 0 272.436 3.614 50 0 CHAARO C[NH+](C)CCCOC(=O)c1sc2ccccc2c1Cl ZINC000002463099 567887857 /nfs/dbraw/zinc/88/78/57/567887857.db2.gz HUFMZPMTGRJNFM-UHFFFAOYSA-N 1 0 297.807 3.663 50 0 CHAARO CCc1cc(Cl)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770955 567891519 /nfs/dbraw/zinc/89/15/19/567891519.db2.gz KQQHVVOVBRLXDD-LBPRGKRZSA-N 1 0 267.800 3.671 50 0 CHAARO CC(C)(C)CC(C)(C)c1ccc(OC2C[NH2+]C2)cc1 ZINC000042769991 567891530 /nfs/dbraw/zinc/89/15/30/567891530.db2.gz AMQAEMXSVAJUQV-UHFFFAOYSA-N 1 0 261.409 3.751 50 0 CHAARO CC[C@H](C)C[NH2+]Cc1ccccc1Br ZINC000042419221 567891685 /nfs/dbraw/zinc/89/16/85/567891685.db2.gz CSENELAXHWXZNX-JTQLQIEISA-N 1 0 256.187 3.585 50 0 CHAARO CC[C@H](C)c1ccc(O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775089 567891976 /nfs/dbraw/zinc/89/19/76/567891976.db2.gz RJAVNZAOVOORKZ-CMPLNLGQSA-N 1 0 253.773 3.594 50 0 CHAARO c1cc(-c2ccccc2)oc1C[NH2+]CCOc1ccccn1 ZINC000057353341 567895148 /nfs/dbraw/zinc/89/51/48/567895148.db2.gz MXNUCQWENGRCBP-UHFFFAOYSA-N 1 0 294.354 3.510 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000058424162 567895809 /nfs/dbraw/zinc/89/58/09/567895809.db2.gz LNSBVRQRTFXYFU-INIZCTEOSA-N 1 0 262.397 3.836 50 0 CHAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000058368365 567896003 /nfs/dbraw/zinc/89/60/03/567896003.db2.gz AKYPDZSMRHUDOV-ZDUSSCGKSA-N 1 0 282.387 3.509 50 0 CHAARO Oc1ccc(CC[C@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC000063844754 567897710 /nfs/dbraw/zinc/89/77/10/567897710.db2.gz VBUAZCBMWQKJKX-MRXNPFEDSA-N 1 0 259.393 3.589 50 0 CHAARO CCc1cc([C@@H]2CCCN2Cc2ccc(F)cc2F)on1 ZINC000064667003 567897912 /nfs/dbraw/zinc/89/79/12/567897912.db2.gz YSXJFZUNNGMHAA-HNNXBMFYSA-N 1 0 292.329 3.852 50 0 CHAARO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000065387432 567898482 /nfs/dbraw/zinc/89/84/82/567898482.db2.gz MBLAOMIEOWHZBV-CQSZACIVSA-N 1 0 258.390 3.789 50 0 CHAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cn(C)c2ccccc12 ZINC000065432952 567898945 /nfs/dbraw/zinc/89/89/45/567898945.db2.gz ANPURGBUJMGHMF-AWEZNQCLSA-N 1 0 279.387 3.766 50 0 CHAARO CC[C@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1C(C)C ZINC000065430476 567899086 /nfs/dbraw/zinc/89/90/86/567899086.db2.gz YDYUZRRARKUBLS-MZEUMTGBSA-N 1 0 272.436 3.504 50 0 CHAARO Cc1ccccc1-c1cccc([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065488559 567899462 /nfs/dbraw/zinc/89/94/62/567899462.db2.gz NYVPJLRRQHNJGA-GOSISDBHSA-N 1 0 289.382 3.620 50 0 CHAARO Cc1ccsc1C[N@@H+](C)[C@H](C)c1c(C)n[nH]c1C ZINC000067726763 567900320 /nfs/dbraw/zinc/90/03/20/567900320.db2.gz OOEYUVJTYJBOES-GFCCVEGCSA-N 1 0 263.410 3.589 50 0 CHAARO CC[NH+](CC)C[C@@H](Oc1ccccn1)c1ccccc1 ZINC000071771061 567901701 /nfs/dbraw/zinc/90/17/01/567901701.db2.gz SWJTZDLEPSTKBS-MRXNPFEDSA-N 1 0 270.376 3.544 50 0 CHAARO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H]2C[C@H]2C)n1 ZINC000097105621 567904384 /nfs/dbraw/zinc/90/43/84/567904384.db2.gz GKWHMOGCBNAMHQ-PBHICJAKSA-N 1 0 295.430 3.752 50 0 CHAARO Clc1cccc(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000097447077 567910364 /nfs/dbraw/zinc/91/03/64/567910364.db2.gz IVGQDWZGZXWYMX-UHFFFAOYSA-N 1 0 279.811 3.733 50 0 CHAARO CC[N@H+](Cc1csc(C(C)=O)c1)[C@H]1CCOC(C)(C)C1 ZINC000097515044 567910664 /nfs/dbraw/zinc/91/06/64/567910664.db2.gz NXZCLCXQRIWUQT-AWEZNQCLSA-N 1 0 295.448 3.730 50 0 CHAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC000095462641 567915642 /nfs/dbraw/zinc/91/56/42/567915642.db2.gz NPYGPEOXFQQELY-OLZOCXBDSA-N 1 0 273.380 3.569 50 0 CHAARO CCC[C@@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccccc1 ZINC000036097663 567927540 /nfs/dbraw/zinc/92/75/40/567927540.db2.gz MQOBMRSPILSCDE-QGZVFWFLSA-N 1 0 287.403 3.751 50 0 CHAARO CCC[N@@H+](Cc1ccccc1C)C[C@H](O)Cc1ccccc1 ZINC000036099960 567927794 /nfs/dbraw/zinc/92/77/94/567927794.db2.gz AWPOKEZGFYWKOM-HXUWFJFHSA-N 1 0 297.442 3.811 50 0 CHAARO c1ccc(C2CCC([NH2+]Cc3ccncc3)CC2)cc1 ZINC000000221050 567935679 /nfs/dbraw/zinc/93/56/79/567935679.db2.gz MDRMFSZJRZFTCN-UHFFFAOYSA-N 1 0 266.388 3.898 50 0 CHAARO Fc1ccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c(Cl)c1 ZINC000014196670 567942561 /nfs/dbraw/zinc/94/25/61/567942561.db2.gz MZLCWNMQPLWQFP-CHWSQXEVSA-N 1 0 298.814 3.983 50 0 CHAARO Clc1ccc([C@@H]([NH2+]C[C@H]2CCCCO2)C2CC2)cc1 ZINC000049900037 567946821 /nfs/dbraw/zinc/94/68/21/567946821.db2.gz VBUGGBZITDYIBV-CVEARBPZSA-N 1 0 279.811 3.950 50 0 CHAARO C[C@@H](C[NH+]1CCC(CCn2cccn2)CC1)c1ccccc1 ZINC000214994055 567947115 /nfs/dbraw/zinc/94/71/15/567947115.db2.gz NSVKNNZLVWCAKZ-KRWDZBQOSA-N 1 0 297.446 3.789 50 0 CHAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000215924146 567947342 /nfs/dbraw/zinc/94/73/42/567947342.db2.gz VKIFRHJNCNERMG-GDBMZVCRSA-N 1 0 273.424 3.508 50 0 CHAARO Cc1ccsc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000022933771 567948474 /nfs/dbraw/zinc/94/84/74/567948474.db2.gz LPQXNRRIMRXDEP-CQSZACIVSA-N 1 0 290.432 3.576 50 0 CHAARO COC[C@@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225391794 567953397 /nfs/dbraw/zinc/95/33/97/567953397.db2.gz OMZDRPOIGRPMPN-LLVKDONJSA-N 1 0 277.339 3.519 50 0 CHAARO Cc1ccc2cc(C[NH2+]CCC[C@@H]3CCC[C@H]3O)ccc2n1 ZINC000225464910 567953558 /nfs/dbraw/zinc/95/35/58/567953558.db2.gz RTJZBTCZMSASQC-QFBILLFUSA-N 1 0 298.430 3.574 50 0 CHAARO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC000225621955 567954201 /nfs/dbraw/zinc/95/42/01/567954201.db2.gz OTSZKCCKRPYESI-WBMJQRKESA-N 1 0 290.432 3.626 50 0 CHAARO CC[NH+](CC)CCNc1nc2cc(C)cc(C)c2s1 ZINC000026424040 570231845 /nfs/dbraw/zinc/23/18/45/570231845.db2.gz BZKWOCYVPAUAQE-UHFFFAOYSA-N 1 0 277.437 3.667 50 0 CHAARO CC[C@H](CO)[N@H+](CCCC(F)(F)F)Cc1ccsc1 ZINC000055371444 570242924 /nfs/dbraw/zinc/24/29/24/570242924.db2.gz QFTAONOKQYVESX-GFCCVEGCSA-N 1 0 295.370 3.664 50 0 CHAARO CCC[NH+]1CCC(N[C@@H](CC(C)C)c2cccnc2)CC1 ZINC000065526048 570244639 /nfs/dbraw/zinc/24/46/39/570244639.db2.gz KNSDBHSGGHYAOT-SFHVURJKSA-N 1 0 289.467 3.633 50 0 CHAARO CC[C@H](c1ccc(Cl)cc1)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000252477934 570270299 /nfs/dbraw/zinc/27/02/99/570270299.db2.gz YAIAQZZXRXUJQH-MAZHCROVSA-N 1 0 280.843 3.673 50 0 CHAARO CCCn1ncc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1C ZINC000215196434 570302401 /nfs/dbraw/zinc/30/24/01/570302401.db2.gz BWJDZGFURVAMBG-SFHVURJKSA-N 1 0 298.434 3.724 50 0 CHAARO COCC[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000215848827 570304166 /nfs/dbraw/zinc/30/41/66/570304166.db2.gz ZRFZSHSDZQPUBQ-ICTCPBKTSA-N 1 0 277.383 3.587 50 0 CHAARO Cc1cccc([C@H](OCC[NH+](C)C)c2ccccc2)c1 ZINC000000377872 570314159 /nfs/dbraw/zinc/31/41/59/570314159.db2.gz VSIVTUKDXUYWPL-GOSISDBHSA-N 1 0 269.388 3.663 50 0 CHAARO C[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1 ZINC000001765638 570326156 /nfs/dbraw/zinc/32/61/56/570326156.db2.gz XIZFJFZATSHCAL-HOTGVXAUSA-N 1 0 253.389 3.838 50 0 CHAARO C[C@@H](c1nccs1)N(C)Cc1cccc(-c2cn[nH]c2)c1 ZINC000019740847 570328175 /nfs/dbraw/zinc/32/81/75/570328175.db2.gz ILSGVTFKPHBMNA-LBPRGKRZSA-N 1 0 298.415 3.726 50 0 CHAARO C[NH2+]C[C@@H](CCCOc1ccccc1)c1ccccc1 ZINC000088097394 570346584 /nfs/dbraw/zinc/34/65/84/570346584.db2.gz VLJKISGYZDJDKG-QGZVFWFLSA-N 1 0 269.388 3.849 50 0 CHAARO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3CC=CC[C@H]3[C@H]12 ZINC000002124056 570374358 /nfs/dbraw/zinc/37/43/58/570374358.db2.gz OUQFYCOJMMHQMV-SNUQEOBHSA-N 1 0 264.372 3.663 50 0 biogenic CHAARO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCCC(C)(C)O)cc1 ZINC000019607290 570396042 /nfs/dbraw/zinc/39/60/42/570396042.db2.gz NCZBDISAGCYMDK-JKSUJKDBSA-N 1 0 277.452 3.845 50 0 CHAARO CCCO[C@H]1CCC[N@H+](Cc2ccc(CC)s2)C1 ZINC000952988778 614951715 /nfs/dbraw/zinc/95/17/15/614951715.db2.gz SCMYKRGOEACCHK-ZDUSSCGKSA-N 1 0 267.438 3.702 50 0 CHAARO CCCO[C@@H]1CCC[N@H+](Cc2ccc(CC)s2)C1 ZINC000952988770 614952008 /nfs/dbraw/zinc/95/20/08/614952008.db2.gz SCMYKRGOEACCHK-CYBMUJFWSA-N 1 0 267.438 3.702 50 0 CHAARO O=C(C[NH+]1CCCCC1)n1c2ccccc2c2c1CCCC2 ZINC000054097169 1125652767 /nfs/dbraw/zinc/65/27/67/1125652767.db2.gz NWQWKOGZSRBPRH-UHFFFAOYSA-N 1 0 296.414 3.646 50 0 CHAARO c1cc(CN2CCCn3nc(-c4ccccc4)cc3C2)co1 ZINC000065270466 1126792490 /nfs/dbraw/zinc/79/24/90/1126792490.db2.gz PKFPWFQIYSPCJS-UHFFFAOYSA-N 1 0 293.370 3.549 50 0 CHAARO Cc1nnc(CN2CCCCC[C@H]2/C=C/c2ccccc2)o1 ZINC000084291505 1126809932 /nfs/dbraw/zinc/80/99/32/1126809932.db2.gz WAJRVYGAQVJWKO-FLVLSHQESA-N 1 0 297.402 3.836 50 0 CHAARO CCCC[N@H+](CC)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000132610328 1127772814 /nfs/dbraw/zinc/77/28/14/1127772814.db2.gz IMJNYKRAJNIWRB-CQSZACIVSA-N 1 0 287.407 3.843 50 0 CHAARO Cc1cc(C)cc(C[NH2+][C@](C)(CO)C2CCCCC2)c1 ZINC000170635600 1128105083 /nfs/dbraw/zinc/10/50/83/1128105083.db2.gz FXRGVRZHHBGGLY-GOSISDBHSA-N 1 0 275.436 3.724 50 0 CHAARO C[C@@H]1CCC[C@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000252540202 1128393144 /nfs/dbraw/zinc/39/31/44/1128393144.db2.gz OZLFOINJYVINDS-INMHGKMJSA-N 1 0 298.434 3.700 50 0 CHAARO C[C@H]([NH2+]CCCNc1ccccc1)C1CC(F)(F)C1 ZINC000628198564 1128577676 /nfs/dbraw/zinc/57/76/76/1128577676.db2.gz AMOIXYJVHGPFTL-LBPRGKRZSA-N 1 0 268.351 3.512 50 0 CHAARO C[N@@H+](C/C=C\c1ccccc1)CCc1ccccc1 ZINC000033702452 1128592762 /nfs/dbraw/zinc/59/27/62/1128592762.db2.gz BUCJRDNLWSHRGQ-JYRVWZFOSA-N 1 0 251.373 3.874 50 0 CHAARO Cc1cc(C)c(C)c(OCCCC[NH+]2CCCC2)c1 ZINC000002494080 1118572883 /nfs/dbraw/zinc/57/28/83/1118572883.db2.gz ZARHSECKCRCLRN-UHFFFAOYSA-N 1 0 261.409 3.867 50 0 CHAARO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000002498868 1118574812 /nfs/dbraw/zinc/57/48/12/1118574812.db2.gz DPDTXZNDKKOIDJ-GOSISDBHSA-N 1 0 290.410 3.858 50 0 CHAARO c1ccc2c(c1)cccc2OCCC[NH+]1CCCC1 ZINC000002885558 1120000874 /nfs/dbraw/zinc/00/08/74/1120000874.db2.gz HETLCZSMHXTKJR-UHFFFAOYSA-N 1 0 255.361 3.705 50 0 CHAARO [NH3+][C@@H]1CCCc2c3cc(C(F)(F)F)ccc3[nH]c21 ZINC000075707194 1120264631 /nfs/dbraw/zinc/26/46/31/1120264631.db2.gz AQRSYVHLIVGXRZ-SNVBAGLBSA-N 1 0 254.255 3.523 50 0 CHAARO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+](C)C(C)C ZINC000011813467 1120319761 /nfs/dbraw/zinc/31/97/61/1120319761.db2.gz GYZPGUBXXLNQJK-UHFFFAOYSA-N 1 0 262.328 3.629 50 0 CHAARO C[C@@H]1CCCCN1Cc1cc(-c2cccs2)on1 ZINC000048368138 1120813880 /nfs/dbraw/zinc/81/38/80/1120813880.db2.gz QHCHMJLBRGXABV-LLVKDONJSA-N 1 0 262.378 3.778 50 0 CHAARO Cc1ccc([C@@H]2CSCC[N@@H+]2CCc2ccncc2)cc1 ZINC000112634803 1120841775 /nfs/dbraw/zinc/84/17/75/1120841775.db2.gz WJKCGVMYZULCIK-SFHVURJKSA-N 1 0 298.455 3.723 50 0 CHAARO Cc1cc2c(c(-c3ccccc3Cl)c1)O[C@H](C[NH3+])C2 ZINC000067955433 1120954371 /nfs/dbraw/zinc/95/43/71/1120954371.db2.gz IDUSADGOTJBJQJ-LBPRGKRZSA-N 1 0 273.763 3.578 50 0 CHAARO c1ccc2c(c1)cccc2CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000064571281 1121203931 /nfs/dbraw/zinc/20/39/31/1121203931.db2.gz IRPVZGCJVHYJPY-SFHVURJKSA-N 1 0 280.415 3.510 50 0 CHAARO CCc1nc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cs1 ZINC000069894804 1121246469 /nfs/dbraw/zinc/24/64/69/1121246469.db2.gz NSUDKSAMLPPYFW-CQSZACIVSA-N 1 0 272.417 3.695 50 0 CHAARO c1coc(-c2cc(C[N@@H+]3CC[C@H](c4ccccc4)C3)no2)c1 ZINC000069899150 1121247635 /nfs/dbraw/zinc/24/76/35/1121247635.db2.gz KUXDSAVADDVKDC-HNNXBMFYSA-N 1 0 294.354 3.924 50 0 CHAARO Cc1cnccc1C[N@@H+](C)Cc1cccc2cccnc21 ZINC000243901461 1121451151 /nfs/dbraw/zinc/45/11/51/1121451151.db2.gz BBRDPXJESAYURH-UHFFFAOYSA-N 1 0 277.371 3.570 50 0 CHAARO Cc1ccc(SCCC[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000244659668 1121469484 /nfs/dbraw/zinc/46/94/84/1121469484.db2.gz HGVAYXOUYFFBBI-INIZCTEOSA-N 1 0 293.476 3.836 50 0 CHAARO CCC1=C(CC)C2(CCCCC2)C1=[N+]1CCOCC1 ZINC000643919794 1121764653 /nfs/dbraw/zinc/76/46/53/1121764653.db2.gz ZSUVQWZHSWIKOF-UHFFFAOYSA-N 1 0 262.417 3.551 50 0 CHAARO c1ncc(C[N@@H+]2CCC3(C2)CCCCCC3)s1 ZINC000820408951 1121899248 /nfs/dbraw/zinc/89/92/48/1121899248.db2.gz CDGBAZWLZFSNJZ-UHFFFAOYSA-N 1 0 250.411 3.689 50 0 CHAARO CCCC[C@H]([NH2+]Cc1csc(NC(C)=O)n1)C1CCC1 ZINC000184884807 1129261567 /nfs/dbraw/zinc/26/15/67/1129261567.db2.gz HMIIJEWBLRNTAU-AWEZNQCLSA-N 1 0 295.452 3.550 50 0 CHAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1cccc2c1OCO2 ZINC000055403826 1130267361 /nfs/dbraw/zinc/26/73/61/1130267361.db2.gz OZWRGVZCCJBGGQ-CQSZACIVSA-N 1 0 298.386 3.611 50 0 CHAARO Cc1c[nH+]ccc1NCc1ccnc(OC2CCCC2)c1 ZINC000191978774 1131227996 /nfs/dbraw/zinc/22/79/96/1131227996.db2.gz JSGIMUMHCBQJAC-UHFFFAOYSA-N 1 0 283.375 3.719 50 0 CHAARO CC[C@H](C)CC[NH2+]Cc1cc(F)ccc1-n1cccn1 ZINC000952861196 1132014389 /nfs/dbraw/zinc/01/43/89/1132014389.db2.gz DPQNVIHEHHTDFX-ZDUSSCGKSA-N 1 0 275.371 3.537 50 0 CHAARO Cc1ccc(C[N@H+](C)CC[C@H]2CCCCO2)c2cccnc12 ZINC000952869333 1132015810 /nfs/dbraw/zinc/01/58/10/1132015810.db2.gz PIPIYNRZJQRWAZ-QGZVFWFLSA-N 1 0 298.430 3.934 50 0 CHAARO Cc1ncsc1C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000096476674 230379768 /nfs/dbraw/zinc/37/97/68/230379768.db2.gz FEQZQEDNIMMYKZ-AWEZNQCLSA-N 1 0 275.421 3.724 50 0 CHAARO Cc1cc(C[N@H+](C)Cc2cccnc2)c2ccccc2n1 ZINC000096489103 230382152 /nfs/dbraw/zinc/38/21/52/230382152.db2.gz KMECJHWGQUSKQS-UHFFFAOYSA-N 1 0 277.371 3.570 50 0 CHAARO Cc1ccc([C@@H](C[NH2+][C@H]2CCCC2(C)C)N2CCCC2)o1 ZINC000097016750 230386350 /nfs/dbraw/zinc/38/63/50/230386350.db2.gz BZCOWCNZDBKBIR-WBVHZDCISA-N 1 0 290.451 3.893 50 0 CHAARO Cc1cc(OCC[NH3+])c(C)c(C)c1OCc1ccccc1 ZINC000004072669 230368410 /nfs/dbraw/zinc/36/84/10/230368410.db2.gz GPDBDORYQTWRFO-UHFFFAOYSA-N 1 0 285.387 3.528 50 0 CHAARO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C1CC1 ZINC000095967940 185046189 /nfs/dbraw/zinc/04/61/89/185046189.db2.gz BMLPANRPPYCKIC-GUYCJALGSA-N 1 0 269.392 3.530 50 0 CHAARO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc2ccccc2o1 ZINC000095968127 185047081 /nfs/dbraw/zinc/04/70/81/185047081.db2.gz GWPVQKBLQIGYOR-YUNKPMOVSA-N 1 0 293.432 3.631 50 0 CHAARO CC[NH2+]Cc1ccccc1NC(=O)C[C@H](C)c1ccccc1 ZINC000095971512 185048430 /nfs/dbraw/zinc/04/84/30/185048430.db2.gz VWUJCTNHSPWXOF-HNNXBMFYSA-N 1 0 296.414 3.928 50 0 CHAARO CC1(C)[C@@H]([NH2+]CCc2ccccn2)C[C@H]1c1ccccc1 ZINC000096009128 185063997 /nfs/dbraw/zinc/06/39/97/185063997.db2.gz FTXAAYUKEPUHMN-ROUUACIJSA-N 1 0 280.415 3.796 50 0 CHAARO CC[C@H](C)[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000096971321 185143921 /nfs/dbraw/zinc/14/39/21/185143921.db2.gz DPIFYGUQULZYQT-NSHDSACASA-N 1 0 257.324 3.793 50 0 CHAARO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)o1 ZINC000097022802 185153477 /nfs/dbraw/zinc/15/34/77/185153477.db2.gz JHFUIFVJLHGYIY-DRZSPHRISA-N 1 0 279.405 3.812 50 0 CHAARO CCc1ccc([C@H](C)[NH2+][C@H](CC)c2c(C)nn(C)c2C)o1 ZINC000133848052 529722026 /nfs/dbraw/zinc/72/20/26/529722026.db2.gz OPSAMYKIPSLRIM-XHDPSFHLSA-N 1 0 289.423 3.994 50 0 CHAARO Clc1ccc(C[NH2+]CCc2cccnc2)c2ncccc12 ZINC000089793967 179866957 /nfs/dbraw/zinc/86/69/57/179866957.db2.gz DTHKRTLCEIKEDM-UHFFFAOYSA-N 1 0 297.789 3.616 50 0 CHAARO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090542802 180001057 /nfs/dbraw/zinc/00/10/57/180001057.db2.gz AALXTSRXEOVSJP-GZBFAFLISA-N 1 0 297.489 3.762 50 0 CHAARO CCn1ccnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000092081452 180319168 /nfs/dbraw/zinc/31/91/68/180319168.db2.gz AMEVQXCBXOYTNW-GOSISDBHSA-N 1 0 297.446 3.715 50 0 CHAARO Cc1sc(C2([NH3+])CCC2)nc1-c1ccccc1F ZINC000122624645 187041752 /nfs/dbraw/zinc/04/17/52/187041752.db2.gz VZHBWIFWJBAXED-UHFFFAOYSA-N 1 0 262.353 3.596 50 0 CHAARO CC1(C)C[C@@H]([NH2+]Cc2cccnc2)c2ccc(F)cc2O1 ZINC000151089745 187943595 /nfs/dbraw/zinc/94/35/95/187943595.db2.gz HMFXOTJSMFYRPH-OAHLLOKOSA-N 1 0 286.350 3.613 50 0 CHAARO COc1ccc2[nH]cc(C[NH+]3CCCCCC3)c2c1 ZINC000261508411 190040337 /nfs/dbraw/zinc/04/03/37/190040337.db2.gz SCAVQEYTRUNNEU-UHFFFAOYSA-N 1 0 258.365 3.553 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000007787487 260027887 /nfs/dbraw/zinc/02/78/87/260027887.db2.gz PREZGGBBSHVXGJ-GXTWGEPZSA-N 1 0 284.403 3.779 50 0 CHAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccccc1 ZINC000001999164 169765869 /nfs/dbraw/zinc/76/58/69/169765869.db2.gz PRRZWJAGZHENJJ-UHFFFAOYSA-N 1 0 250.345 3.500 50 0 biogenic CHAARO c1[nH]c2ccccc2c1CC[NH+]1Cc2ccccc2C1 ZINC000002006030 169766946 /nfs/dbraw/zinc/76/69/46/169766946.db2.gz DSJXKPWYQOXOQL-UHFFFAOYSA-N 1 0 262.356 3.726 50 0 CHAARO COc1ccc(CC[NH2+]Cc2c[nH]c3ccccc23)cc1 ZINC000002482187 169794290 /nfs/dbraw/zinc/79/42/90/169794290.db2.gz UTQMZLREKXTUTR-UHFFFAOYSA-N 1 0 280.371 3.509 50 0 CHAARO C[C@@H](C[NH2+]C[C@@H]1CCCO1)COc1cccc2ccccc21 ZINC000004811909 170021110 /nfs/dbraw/zinc/02/11/10/170021110.db2.gz VOHCIXMVPQJCBT-RDJZCZTQSA-N 1 0 299.414 3.623 50 0 CHAARO c1ccc(-c2ccc(OCC[NH2+]C[C@@H]3CCCO3)cc2)cc1 ZINC000004841319 170027892 /nfs/dbraw/zinc/02/78/92/170027892.db2.gz RNSGWAMTDPYHTM-IBGZPJMESA-N 1 0 297.398 3.501 50 0 CHAARO CC(=O)c1ccc(OCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000004841026 170027989 /nfs/dbraw/zinc/02/79/89/170027989.db2.gz SPTZVLZQTDYVPD-OAHLLOKOSA-N 1 0 289.419 3.780 50 0 CHAARO C[NH+](C)CCCOc1ccc2ccccc2c1Cl ZINC000004870178 170034547 /nfs/dbraw/zinc/03/45/47/170034547.db2.gz XLLFMCBDPVPDGU-UHFFFAOYSA-N 1 0 263.768 3.824 50 0 CHAARO CC(C)Oc1ccccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000004907025 170040200 /nfs/dbraw/zinc/04/02/00/170040200.db2.gz IWWIATSMDAQBPU-HNNXBMFYSA-N 1 0 277.408 3.585 50 0 CHAARO Cc1ccc(Cl)c(OCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000004912986 170040677 /nfs/dbraw/zinc/04/06/77/170040677.db2.gz BWBJSROSMCCHNC-ZDUSSCGKSA-N 1 0 267.800 3.759 50 0 CHAARO CC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000004942946 170043640 /nfs/dbraw/zinc/04/36/40/170043640.db2.gz HRYZQCRCFIDPRZ-UHFFFAOYSA-N 1 0 265.740 3.718 50 0 CHAARO Cc1ccc(OCC[NH+]2CCCCC2)c(Cl)c1 ZINC000004989855 170049757 /nfs/dbraw/zinc/04/97/57/170049757.db2.gz QVUQMNAHWSTONT-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(OC)c1 ZINC000004989283 170050100 /nfs/dbraw/zinc/05/01/00/170050100.db2.gz ASZCXAYHOHWMGK-HNNXBMFYSA-N 1 0 299.414 3.815 50 0 CHAARO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CCC[C@@H](C)C1)CC2 ZINC000004989358 170050179 /nfs/dbraw/zinc/05/01/79/170050179.db2.gz ZQIOKZDDGDLJOJ-CZUORRHYSA-N 1 0 289.419 3.641 50 0 CHAARO COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000004989241 170050205 /nfs/dbraw/zinc/05/02/05/170050205.db2.gz UKKBBVCLVAICLE-UHFFFAOYSA-N 1 0 271.404 3.610 50 0 CHAARO c1ccc(-c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000004990092 170050451 /nfs/dbraw/zinc/05/04/51/170050451.db2.gz GONVYAOQFZRFPH-UHFFFAOYSA-N 1 0 269.413 3.902 50 0 CHAARO CCOc1ccc(C[NH2+]Cc2cccs2)cc1OCC ZINC000005019268 170056799 /nfs/dbraw/zinc/05/67/99/170056799.db2.gz MGPSVJSDKYCWOV-UHFFFAOYSA-N 1 0 291.416 3.835 50 0 CHAARO C[C@H]1CCC[C@H](C)[NH+]1Cc1cn2cc(Cl)ccc2n1 ZINC000005072462 170064534 /nfs/dbraw/zinc/06/45/34/170064534.db2.gz GCTZSZZKSHJBJN-RYUDHWBXSA-N 1 0 277.799 3.751 50 0 CHAARO C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005698964 170130270 /nfs/dbraw/zinc/13/02/70/170130270.db2.gz GWFPZNWTHIITBJ-DLBZAZTESA-N 1 0 299.801 3.868 50 0 CHAARO Clc1ccc(-c2cc(C[NH+]3CCCCC3)no2)cc1 ZINC000005763637 170138609 /nfs/dbraw/zinc/13/86/09/170138609.db2.gz YLZJTEBBYVIJQS-UHFFFAOYSA-N 1 0 276.767 3.981 50 0 CHAARO C[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000005910041 170153628 /nfs/dbraw/zinc/15/36/28/170153628.db2.gz HOABALJPEVYKLR-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO CCOc1ccccc1OCCCC[NH2+]C(C)(C)C ZINC000005908654 170153838 /nfs/dbraw/zinc/15/38/38/170153838.db2.gz SACIJHMKEDPLHX-UHFFFAOYSA-N 1 0 265.397 3.632 50 0 CHAARO CC[N@H+](Cc1cn2c(n1)nc(C)cc2C)C1CCCCC1 ZINC000006483226 170204726 /nfs/dbraw/zinc/20/47/26/170204726.db2.gz JEIUODWFFTZAGZ-UHFFFAOYSA-N 1 0 286.423 3.501 50 0 CHAARO CCc1ccc2c(C[NH2+]C(CC)CC)cc(=O)oc2c1 ZINC000006548566 170212063 /nfs/dbraw/zinc/21/20/63/170212063.db2.gz XAUTYJYEQHOWSO-UHFFFAOYSA-N 1 0 273.376 3.634 50 0 CHAARO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000006593871 170217371 /nfs/dbraw/zinc/21/73/71/170217371.db2.gz HJCZAXHJTSFZEY-SMDDNHRTSA-N 1 0 294.826 3.755 50 0 CHAARO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C)C3)c2cc1C ZINC000006649635 170222333 /nfs/dbraw/zinc/22/23/33/170222333.db2.gz XDNFGCLPQDYKNR-LBPRGKRZSA-N 1 0 285.387 3.642 50 0 CHAARO CC[NH+](CC)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717403 170349196 /nfs/dbraw/zinc/34/91/96/170349196.db2.gz MOLBMYOSEHTBNN-UHFFFAOYSA-N 1 0 272.392 3.707 50 0 CHAARO CCC(C)(C)OC[C@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000008844702 170357427 /nfs/dbraw/zinc/35/74/27/170357427.db2.gz VCCYUYTYCVNCQE-CQSZACIVSA-N 1 0 285.472 3.596 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000009998195 170394203 /nfs/dbraw/zinc/39/42/03/170394203.db2.gz OBBKUSZEBQMHCN-LLVKDONJSA-N 1 0 268.198 3.824 50 0 CHAARO O=C(Nc1ccccc1F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010334845 170404876 /nfs/dbraw/zinc/40/48/76/170404876.db2.gz UUSGBENBIDFILV-UHFFFAOYSA-N 1 0 298.361 3.674 50 0 CHAARO CC[NH+](CC)CCN(C)Cc1c(Cl)cccc1Cl ZINC000019634208 170832294 /nfs/dbraw/zinc/83/22/94/170832294.db2.gz GYAKZLARCFRFDC-UHFFFAOYSA-N 1 0 289.250 3.767 50 0 CHAARO COc1cccc([C@H](C)[NH2+]CCc2ccccc2F)c1 ZINC000019912730 170922664 /nfs/dbraw/zinc/92/26/64/170922664.db2.gz UKWSJVGRQJVQCA-ZDUSSCGKSA-N 1 0 273.351 3.728 50 0 CHAARO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1O ZINC000020133443 171021058 /nfs/dbraw/zinc/02/10/58/171021058.db2.gz MTWLFDAFSBSZFM-MRXNPFEDSA-N 1 0 283.371 3.568 50 0 CHAARO Clc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000020221545 171083036 /nfs/dbraw/zinc/08/30/36/171083036.db2.gz VDPGIJCPCJINPJ-NSHDSACASA-N 1 0 274.191 3.904 50 0 CHAARO Cc1cc(OCC[C@H]2CCCC[NH2+]2)cc(C)c1Cl ZINC000020221542 171083281 /nfs/dbraw/zinc/08/32/81/171083281.db2.gz NETBXQKENDNSLE-CYBMUJFWSA-N 1 0 267.800 3.868 50 0 CHAARO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1cccnc1 ZINC000020306504 171143065 /nfs/dbraw/zinc/14/30/65/171143065.db2.gz WCVZTBNTZQXBMG-SECBINFHSA-N 1 0 297.221 3.756 50 0 CHAARO Cc1cc(C)c2c(C[NH+]3CCCCCC3)cc(=O)oc2c1 ZINC000020344953 171154174 /nfs/dbraw/zinc/15/41/74/171154174.db2.gz YYMAJFGRBBOZPM-UHFFFAOYSA-N 1 0 285.387 3.786 50 0 CHAARO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000020454272 171208464 /nfs/dbraw/zinc/20/84/64/171208464.db2.gz DESUOOVDXCMDOW-KGLIPLIRSA-N 1 0 287.407 3.783 50 0 CHAARO COc1ccc(COc2ccc(C3=CC[NH2+]CC3)cc2)cc1 ZINC000022224306 171380145 /nfs/dbraw/zinc/38/01/45/171380145.db2.gz RXIUQXOSKHPSBV-UHFFFAOYSA-N 1 0 295.382 3.651 50 0 CHAARO COc1ccc(C[C@@H](C)[NH2+]CCc2cccc(F)c2)cc1 ZINC000023282647 171418842 /nfs/dbraw/zinc/41/88/42/171418842.db2.gz XRWIRVFAZUGYNT-CQSZACIVSA-N 1 0 287.378 3.598 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2F)cc1 ZINC000026311902 171479803 /nfs/dbraw/zinc/47/98/03/171479803.db2.gz JECDAKVQSAFSPN-LBPRGKRZSA-N 1 0 286.350 3.635 50 0 CHAARO COc1ccc(C[NH2+][C@H](C)c2ccco2)cc1OC(F)F ZINC000035137068 172003857 /nfs/dbraw/zinc/00/38/57/172003857.db2.gz KHOFHBMEGNDKAP-SNVBAGLBSA-N 1 0 297.301 3.740 50 0 CHAARO CC[NH2+][C@@H](c1csc2ccccc21)c1cccnc1 ZINC000035555080 172261745 /nfs/dbraw/zinc/26/17/45/172261745.db2.gz ZXCNYYLWJALIOX-MRXNPFEDSA-N 1 0 268.385 3.995 50 0 CHAARO [NH3+]CCCn1c(-c2ccccc2)cc2ccccc21 ZINC000036722418 172659785 /nfs/dbraw/zinc/65/97/85/172659785.db2.gz GJRLBGNXSJZXMF-UHFFFAOYSA-N 1 0 250.345 3.657 50 0 CHAARO CC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)c1ccc(OC)cc1 ZINC000037062569 172926212 /nfs/dbraw/zinc/92/62/12/172926212.db2.gz IGLUDTWYPHTQNX-BBRMVZONSA-N 1 0 279.424 3.940 50 0 CHAARO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1ccc(OC)cc1 ZINC000037062570 172926330 /nfs/dbraw/zinc/92/63/30/172926330.db2.gz IGLUDTWYPHTQNX-XJKSGUPXSA-N 1 0 279.424 3.940 50 0 CHAARO CC[N@H+](Cc1c(C)nn(C)c1Cl)C1CCCCC1 ZINC000037515153 173246488 /nfs/dbraw/zinc/24/64/88/173246488.db2.gz JJOUBDZJAXSOIE-UHFFFAOYSA-N 1 0 269.820 3.537 50 0 CHAARO Cc1ccccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000040046917 174184589 /nfs/dbraw/zinc/18/45/89/174184589.db2.gz PLZHRZSVOWBXNO-FQEVSTJZSA-N 1 0 295.426 3.941 50 0 CHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccs2)cc1 ZINC000040477684 174283144 /nfs/dbraw/zinc/28/31/44/174283144.db2.gz QKJFOCMDYBUZRC-UHFFFAOYSA-N 1 0 287.363 3.567 50 0 CHAARO Clc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042772298 174871481 /nfs/dbraw/zinc/87/14/81/174871481.db2.gz LSJKZJIHVUYTMZ-JTQLQIEISA-N 1 0 274.191 3.762 50 0 CHAARO Cc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042772190 174871709 /nfs/dbraw/zinc/87/17/09/174871709.db2.gz MKWOLIADSDFBHH-GFCCVEGCSA-N 1 0 298.224 3.526 50 0 CHAARO CC[NH2+][C@H](C)CCCCOc1cccc2c1OC(C)(C)C2 ZINC000045615072 175381942 /nfs/dbraw/zinc/38/19/42/175381942.db2.gz NAVIFKDSHOZYDV-CQSZACIVSA-N 1 0 291.435 3.947 50 0 CHAARO CC(C)c1nn(C)c(Cl)c1C[NH2+]CCc1ccccc1 ZINC000069645262 175844494 /nfs/dbraw/zinc/84/44/94/175844494.db2.gz YTDHSAQPSXOGRZ-UHFFFAOYSA-N 1 0 291.826 3.529 50 0 CHAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2cccnc2)c1 ZINC000071746186 176258470 /nfs/dbraw/zinc/25/84/70/176258470.db2.gz NAVMILZNYBGFKA-KRWDZBQOSA-N 1 0 282.387 3.529 50 0 CHAARO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)o1 ZINC000071831362 176272894 /nfs/dbraw/zinc/27/28/94/176272894.db2.gz QEPOPYSMWYTYDA-CQSZACIVSA-N 1 0 298.386 3.566 50 0 CHAARO Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000072286594 176360262 /nfs/dbraw/zinc/36/02/62/176360262.db2.gz SCGBRXQVOHNYQJ-IBGZPJMESA-N 1 0 299.414 3.605 50 0 CHAARO c1cc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)cs1 ZINC000077299973 177249937 /nfs/dbraw/zinc/24/99/37/177249937.db2.gz KBFAFFMKEDIGLY-MRXNPFEDSA-N 1 0 278.465 3.589 50 0 CHAARO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)s1 ZINC000077357380 177256884 /nfs/dbraw/zinc/25/68/84/177256884.db2.gz ZLJPRACDCYSZAQ-OAHLLOKOSA-N 1 0 289.448 3.698 50 0 CHAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc2ccccc2c1 ZINC000078480262 177344773 /nfs/dbraw/zinc/34/47/73/177344773.db2.gz HHXRFUMFLVTJMJ-SFHVURJKSA-N 1 0 298.430 3.546 50 0 CHAARO Clc1ccc(OCCC[NH2+]C2CCCC2)cc1 ZINC000002844495 260010302 /nfs/dbraw/zinc/01/03/02/260010302.db2.gz NWYMTPBRXLHNQW-UHFFFAOYSA-N 1 0 253.773 3.641 50 0 CHAARO COc1ccccc1CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000065427645 260242893 /nfs/dbraw/zinc/24/28/93/260242893.db2.gz GACKGLGMJNEAHX-IBGZPJMESA-N 1 0 295.426 3.775 50 0 CHAARO Cc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc(C(C)C)n1 ZINC000024754457 262359292 /nfs/dbraw/zinc/35/92/92/262359292.db2.gz CEOYFCGXNURXCZ-UHFFFAOYSA-N 1 0 290.455 3.630 50 0 CHAARO Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129793233 329527973 /nfs/dbraw/zinc/52/79/73/329527973.db2.gz DFPONRXTYWAOFY-NWDGAFQWSA-N 1 0 290.329 3.545 50 0 CHAARO CC[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCOC(C)(C)C1 ZINC000289664244 521315318 /nfs/dbraw/zinc/31/53/18/521315318.db2.gz FNNHZMISCWBGTD-CQSZACIVSA-N 1 0 283.362 3.744 50 0 CHAARO c1cc2c(cccc2-c2ccc(C[NH+]3CCCC3)cn2)[nH]1 ZINC000067784702 526439441 /nfs/dbraw/zinc/43/94/41/526439441.db2.gz HLKUYMWFJLREAW-UHFFFAOYSA-N 1 0 277.371 3.826 50 0 CHAARO CC(C)[C@@H](C[NH2+][C@@H](C)C1CCC1)Nc1ccccc1 ZINC000170670095 528463258 /nfs/dbraw/zinc/46/32/58/528463258.db2.gz YHVFAVRDMQYPTI-WMLDXEAASA-N 1 0 260.425 3.901 50 0 CHAARO CC(C)[C@@H](C[NH2+][C@H](C)C1CCC1)Nc1ccccc1 ZINC000170670101 528465576 /nfs/dbraw/zinc/46/55/76/528465576.db2.gz YHVFAVRDMQYPTI-RHSMWYFYSA-N 1 0 260.425 3.901 50 0 CHAARO CC[NH+](CC)CCCc1ccc(Br)cc1 ZINC000230531936 566822855 /nfs/dbraw/zinc/82/28/55/566822855.db2.gz IFWIGBTUUAFHPH-UHFFFAOYSA-N 1 0 270.214 3.724 50 0 CHAARO CC(C)Cc1cc(C[NH2+]C2CCCCCC2)no1 ZINC000065381213 567898750 /nfs/dbraw/zinc/89/87/50/567898750.db2.gz UONQBLDXGAXCQF-UHFFFAOYSA-N 1 0 250.386 3.686 50 0 CHAARO CC[NH2+]Cc1cc(-c2ccc([C@@H](C)CC)cc2)n[nH]1 ZINC000725264785 567923166 /nfs/dbraw/zinc/92/31/66/567923166.db2.gz XANXEHUHIHPXHF-LBPRGKRZSA-N 1 0 257.381 3.700 50 0 CHAARO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)o1 ZINC000035018973 566843164 /nfs/dbraw/zinc/84/31/64/566843164.db2.gz JKZZIOOSGVUOSO-CQSZACIVSA-N 1 0 281.359 3.625 50 0 CHAARO CC(C)c1ccc(NC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC000084625147 566885971 /nfs/dbraw/zinc/88/59/71/566885971.db2.gz ANNQNMOFJJGQEI-UHFFFAOYSA-N 1 0 279.343 3.710 50 0 CHAARO Cc1c2ccccc2n2c1[C@@H](c1ccccc1)[NH2+]CC2 ZINC000053151233 566889959 /nfs/dbraw/zinc/88/99/59/566889959.db2.gz JVXQRIWBIYJXBI-QGZVFWFLSA-N 1 0 262.356 3.642 50 0 CHAARO Cn1cc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)cn1 ZINC000088765583 566935783 /nfs/dbraw/zinc/93/57/83/566935783.db2.gz PVZQVPDTCHWAFH-QGZVFWFLSA-N 1 0 287.382 3.580 50 0 CHAARO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000225420762 566950648 /nfs/dbraw/zinc/95/06/48/566950648.db2.gz PZTJABGYETUPEC-BFYDXBDKSA-N 1 0 288.435 3.799 50 0 CHAARO C[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccccc1 ZINC000001765641 566962763 /nfs/dbraw/zinc/96/27/63/566962763.db2.gz XIZFJFZATSHCAL-HZPDHXFCSA-N 1 0 253.389 3.838 50 0 CHAARO CC[C@@H](C)[N@@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000240936913 566968185 /nfs/dbraw/zinc/96/81/85/566968185.db2.gz SFUWCNMJJPKLAD-CVEARBPZSA-N 1 0 288.435 3.813 50 0 CHAARO C[C@H](C[N@H+](C)Cc1ccccc1)C(=O)c1ccccc1 ZINC000053934924 566970476 /nfs/dbraw/zinc/97/04/76/566970476.db2.gz OIVGLKASIPOPKY-OAHLLOKOSA-N 1 0 267.372 3.637 50 0 CHAARO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCn1ccnc1 ZINC000089558961 566983739 /nfs/dbraw/zinc/98/37/39/566983739.db2.gz NPYIAJHMBHGOJE-GFCCVEGCSA-N 1 0 292.452 3.512 50 0 CHAARO CCCC[N@@H+]1CC[C@](OC(=O)CC)(c2ccccc2)[C@@H]1C ZINC000033864860 566984074 /nfs/dbraw/zinc/98/40/74/566984074.db2.gz JWNRFLRVCDPGEC-MAUKXSAKSA-N 1 0 289.419 3.729 50 0 CHAARO Cc1nn(C)cc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000426420277 566988158 /nfs/dbraw/zinc/98/81/58/566988158.db2.gz VQBBKDNCOYJWOC-AWEZNQCLSA-N 1 0 269.392 3.552 50 0 CHAARO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)co1 ZINC000426691113 566990011 /nfs/dbraw/zinc/99/00/11/566990011.db2.gz BHMGNOLLQPCBIA-INIZCTEOSA-N 1 0 270.376 3.609 50 0 CHAARO Cc1cc(C[NH+]2CCCC2)cc(-c2cccnc2)c1 ZINC000426690535 566990856 /nfs/dbraw/zinc/99/08/56/566990856.db2.gz GAOMLXLGDGPHEB-UHFFFAOYSA-N 1 0 252.361 3.653 50 0 CHAARO CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000036101076 566993596 /nfs/dbraw/zinc/99/35/96/566993596.db2.gz AWHXCQYFNYFGBW-CQSZACIVSA-N 1 0 293.432 3.813 50 0 CHAARO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000170087977 567006158 /nfs/dbraw/zinc/00/61/58/567006158.db2.gz DLYLPOIEHIYJGC-STQMWFEESA-N 1 0 291.366 3.907 50 0 CHAARO Cc1noc(C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)n1 ZINC000065541139 567009977 /nfs/dbraw/zinc/00/99/77/567009977.db2.gz KVEVTQLHKVUENV-KRWDZBQOSA-N 1 0 297.402 3.635 50 0 CHAARO CC[C@H]([NH2+][C@H](C)CC(C)(C)OC)c1ccc(OC)cc1 ZINC000037062571 567010459 /nfs/dbraw/zinc/01/04/59/567010459.db2.gz IGLUDTWYPHTQNX-CJNGLKHVSA-N 1 0 279.424 3.940 50 0 CHAARO CCOC(=O)[C@@H]1CCC[C@H](C[N@H+]([C@@H](C)C(C)C)C2CC2)C1 ZINC000170598158 567011640 /nfs/dbraw/zinc/01/16/40/567011640.db2.gz BERZTNXWTQQVHJ-HRCADAONSA-N 1 0 295.467 3.865 50 0 CHAARO Cc1ccc(SCCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000170605504 567013869 /nfs/dbraw/zinc/01/38/69/567013869.db2.gz MHOTXHIEWIWEOL-UHFFFAOYSA-N 1 0 292.492 3.503 50 0 CHAARO C[C@@H]1CC[C@@H](C[NH2+]C2(c3ccc(F)cc3F)CCCC2)O1 ZINC000170608593 567014320 /nfs/dbraw/zinc/01/43/20/567014320.db2.gz PVOVHZVENKVSNS-OCCSQVGLSA-N 1 0 295.373 3.891 50 0 CHAARO Fc1cccc(CN2CCC[C@@H]([NH2+]Cc3ccccc3)C2)c1 ZINC000089836537 567027228 /nfs/dbraw/zinc/02/72/28/567027228.db2.gz UFIWXOGYHJVQIE-LJQANCHMSA-N 1 0 298.405 3.580 50 0 CHAARO Cc1ccc([C@H](O)C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000076082204 567031131 /nfs/dbraw/zinc/03/11/31/567031131.db2.gz AEOIERRZSZMVIE-VQIMIIECSA-N 1 0 283.415 3.639 50 0 CHAARO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccco1 ZINC000090044587 567032063 /nfs/dbraw/zinc/03/20/63/567032063.db2.gz GIAKNMDXUVVXDW-LBPRGKRZSA-N 1 0 299.399 3.691 50 0 CHAARO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1 ZINC000090100484 567033865 /nfs/dbraw/zinc/03/38/65/567033865.db2.gz RNEWVPWFYIIHIL-APHBMKBZSA-N 1 0 285.366 3.603 50 0 CHAARO CCC[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000018937923 567062901 /nfs/dbraw/zinc/06/29/01/567062901.db2.gz WHXHLSDRIXDECB-QGZVFWFLSA-N 1 0 282.387 3.674 50 0 CHAARO CC[N@H+](C)Cc1cncc(-c2cc(C)cc(C)c2)c1 ZINC000037554027 567068495 /nfs/dbraw/zinc/06/84/95/567068495.db2.gz KAWVJJWMHTUKSH-UHFFFAOYSA-N 1 0 254.377 3.817 50 0 CHAARO Cc1cc([C@H]([NH2+]C2CCOCC2)C(C)C)c(C)s1 ZINC000095422323 567130757 /nfs/dbraw/zinc/13/07/57/567130757.db2.gz HAKQZINWJOSCRU-OAHLLOKOSA-N 1 0 267.438 3.831 50 0 CHAARO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC(C)C)cc1 ZINC000095419180 567131493 /nfs/dbraw/zinc/13/14/93/567131493.db2.gz QPMYKJBLNHOUGR-AWEZNQCLSA-N 1 0 271.408 3.877 50 0 CHAARO Cc1c[nH+]ccc1N1CCC(c2nccn2C(C)C)CC1 ZINC000095497027 567136682 /nfs/dbraw/zinc/13/66/82/567136682.db2.gz LRIXEKCJQRHHFN-UHFFFAOYSA-N 1 0 284.407 3.551 50 0 CHAARO CC[NH2+]CCO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000096027136 567138297 /nfs/dbraw/zinc/13/82/97/567138297.db2.gz HEURDLNVCKKRQX-SFHVURJKSA-N 1 0 269.388 3.711 50 0 CHAARO COC(=O)c1cccc(C[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000096027732 567138584 /nfs/dbraw/zinc/13/85/84/567138584.db2.gz ROVWSYVARIHTJN-HNNXBMFYSA-N 1 0 297.398 3.536 50 0 CHAARO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCc1nccs1 ZINC000282796183 567143204 /nfs/dbraw/zinc/14/32/04/567143204.db2.gz YYGHDEPTLJTVQV-NSHDSACASA-N 1 0 280.824 3.560 50 0 CHAARO C[N@H+](CC[C@@H]1CC1(F)F)Cc1cc(-c2ccccc2)n[nH]1 ZINC000670446661 567178472 /nfs/dbraw/zinc/17/84/72/567178472.db2.gz ZEKCGUJIDQIRQC-CYBMUJFWSA-N 1 0 291.345 3.554 50 0 CHAARO COc1ccccc1C1(C[NH2+]Cc2ccncc2)CCCC1 ZINC000067219414 567195476 /nfs/dbraw/zinc/19/54/76/567195476.db2.gz UMSKCHUSZQCPCW-UHFFFAOYSA-N 1 0 296.414 3.692 50 0 CHAARO CC1(C)CC2=C[C@@]3(C)CC(C)(C)C[C@@]4(C3)NC(=[NH2+])NC(=C24)C1 ZINC000141186414 567197155 /nfs/dbraw/zinc/19/71/55/567197155.db2.gz VWBUZIGZZIPNTK-OALUTQOASA-N 1 0 299.462 3.874 50 0 CHAARO c1coc(C[N@H+](Cc2cccnc2)C2CCCC2)c1 ZINC000069566521 567202103 /nfs/dbraw/zinc/20/21/03/567202103.db2.gz HMMXAUGFVHSWKB-UHFFFAOYSA-N 1 0 256.349 3.619 50 0 CHAARO Cc1ccccc1[C@@H](OCC[NH+](C)C)c1ccccc1 ZINC000000155269 567820811 /nfs/dbraw/zinc/82/08/11/567820811.db2.gz QVYRGXJJSLMXQH-SFHVURJKSA-N 1 0 269.388 3.663 50 0 fda CHAARO Cc1cccn2cc(CSc3nc4ccccc4[nH]3)nc12 ZINC000000180456 567821689 /nfs/dbraw/zinc/82/16/89/567821689.db2.gz DBXFURHOPQBJNP-UHFFFAOYSA-N 1 0 294.383 3.811 50 0 CHAARO C[C@H](C[NH+]1CCCC1)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000210658 567822633 /nfs/dbraw/zinc/82/26/33/567822633.db2.gz AXRAWKAINQRNFO-CQSZACIVSA-N 1 0 289.419 3.625 50 0 CHAARO CCOC(=O)C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000000240872 567822825 /nfs/dbraw/zinc/82/28/25/567822825.db2.gz QMABPSHLNSASFK-UHFFFAOYSA-N 1 0 297.398 3.615 50 0 CHAARO COc1ccc(C[N@@H+]2CCc3ccccc3C2)c(OC)c1C ZINC000000239204 567822988 /nfs/dbraw/zinc/82/29/88/567822988.db2.gz QQJYYTYDWYJKRP-UHFFFAOYSA-N 1 0 297.398 3.571 50 0 CHAARO COc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000000263010 567823316 /nfs/dbraw/zinc/82/33/16/567823316.db2.gz SXHRESMDGYRFLU-GOSISDBHSA-N 1 0 267.372 3.862 50 0 CHAARO Fc1cccc(CN2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000000317982 567825409 /nfs/dbraw/zinc/82/54/09/567825409.db2.gz FQRQOXMOFWBSPL-UHFFFAOYSA-N 1 0 290.426 3.666 50 0 CHAARO C[NH2+]Cc1ccccc1Sc1ccc(OC)c(OC)c1 ZINC000000347785 567826237 /nfs/dbraw/zinc/82/62/37/567826237.db2.gz RWAFMDVIGYZXSU-UHFFFAOYSA-N 1 0 289.400 3.574 50 0 CHAARO C[N@@H+]1CCC2=C(C1)[C@@H](c1ccccc1)c1ccccc12 ZINC000000968338 567835384 /nfs/dbraw/zinc/83/53/84/567835384.db2.gz ISFHAYSTHMVOJR-IBGZPJMESA-N 1 0 261.368 3.921 50 0 world CHAARO O=C(CC[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000096028064 567843020 /nfs/dbraw/zinc/84/30/20/567843020.db2.gz JVOOBTXSGGIGJH-UHFFFAOYSA-N 1 0 285.431 3.944 50 0 CHAARO Cc1ccc(C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000002513131 567846134 /nfs/dbraw/zinc/84/61/34/567846134.db2.gz YDOLOFUIHPPVHT-UHFFFAOYSA-N 1 0 251.373 3.665 50 0 CHAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H](C)CCc1ccccc1 ZINC000002499329 567846169 /nfs/dbraw/zinc/84/61/69/567846169.db2.gz UXDWWQJZZSFTDA-HOTGVXAUSA-N 1 0 277.452 3.927 50 0 CHAARO COc1cccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000002515050 567846181 /nfs/dbraw/zinc/84/61/81/567846181.db2.gz VKFFBLGDEOIYOM-UHFFFAOYSA-N 1 0 295.382 3.522 50 0 CHAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000002514594 567846283 /nfs/dbraw/zinc/84/62/83/567846283.db2.gz NOUVGCIXNZPDQK-UHFFFAOYSA-N 1 0 257.377 3.655 50 0 CHAARO [NH3+]Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000002513165 567846438 /nfs/dbraw/zinc/84/64/38/567846438.db2.gz DUHMLJKTANYHCZ-UHFFFAOYSA-N 1 0 267.250 3.956 50 0 CHAARO CC(C)OCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000002598912 567848709 /nfs/dbraw/zinc/84/87/09/567848709.db2.gz DYGKGAHFAZYCOE-UHFFFAOYSA-N 1 0 276.207 3.898 50 0 CHAARO Cc1ccc(C)c(NC(=O)CC[N@@H+](C)Cc2ccccc2)c1 ZINC000002760774 567849254 /nfs/dbraw/zinc/84/92/54/567849254.db2.gz YHOPAKGYXZDCID-UHFFFAOYSA-N 1 0 296.414 3.764 50 0 CHAARO Cc1ccc(OCCC[NH+]2CCCCCC2)c(C)c1 ZINC000002838763 567849528 /nfs/dbraw/zinc/84/95/28/567849528.db2.gz NAXWVKPBNLSPAQ-UHFFFAOYSA-N 1 0 261.409 3.948 50 0 CHAARO CCc1ccc(OCCCCC[NH+]2CCCC2)cc1 ZINC000002899165 567850348 /nfs/dbraw/zinc/85/03/48/567850348.db2.gz DXXCRGLIUXCRTR-UHFFFAOYSA-N 1 0 261.409 3.894 50 0 CHAARO Cc1cc(Cl)cc(C)c1OCCOCC[NH2+]C(C)(C)C ZINC000002975033 567850598 /nfs/dbraw/zinc/85/05/98/567850598.db2.gz PWHYPINLKDDWMB-UHFFFAOYSA-N 1 0 299.842 3.740 50 0 CHAARO Cc1cc(OCCOCC[NH2+]C(C)(C)C)cc(C)c1Cl ZINC000002981002 567850900 /nfs/dbraw/zinc/85/09/00/567850900.db2.gz BNCJQUNAXCGXQH-UHFFFAOYSA-N 1 0 299.842 3.740 50 0 CHAARO CCOc1ccccc1OCCC[N@@H+]1CCC[C@H](C)C1 ZINC000003003751 567851468 /nfs/dbraw/zinc/85/14/68/567851468.db2.gz CCUXRNLEULXPHR-HNNXBMFYSA-N 1 0 277.408 3.586 50 0 CHAARO COCCC[NH2+]CCCCSc1ccc(Cl)cc1 ZINC000003460901 567852801 /nfs/dbraw/zinc/85/28/01/567852801.db2.gz AZGMNIZEDJYOTG-UHFFFAOYSA-N 1 0 287.856 3.838 50 0 CHAARO C[C@@H]1C[NH+](C2CCC(C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000003683637 567853521 /nfs/dbraw/zinc/85/35/21/567853521.db2.gz OWBYPXYTTWMOTK-LMRVLLHPSA-N 1 0 253.430 3.701 50 0 CHAARO Cc1cccc(C(=O)O[C@H](C)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000003904887 567854211 /nfs/dbraw/zinc/85/42/11/567854211.db2.gz CDLAWMHMQXCIAA-HRCADAONSA-N 1 0 289.419 3.803 50 0 CHAARO C[C@@H]1CCC[N@H+](CCOCCSc2ccccc2)C1 ZINC000004568465 567858157 /nfs/dbraw/zinc/85/81/57/567858157.db2.gz GTDGCZAGEYQBAY-OAHLLOKOSA-N 1 0 279.449 3.527 50 0 CHAARO Fc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000004554360 567858206 /nfs/dbraw/zinc/85/82/06/567858206.db2.gz XSMMBVPDDUOTKD-UHFFFAOYSA-N 1 0 259.368 3.740 50 0 CHAARO CC[n+]1c(/C=C(/C)SC)sc2ccccc21 ZINC000013125168 567865180 /nfs/dbraw/zinc/86/51/80/567865180.db2.gz OYTDDSBUXRFUKL-KTKRTIGZSA-N 1 0 250.412 3.933 50 0 CHAARO COc1ccc(C[NH2+]Cc2cccc(OC(C)C)c2)cc1 ZINC000019737655 567878313 /nfs/dbraw/zinc/87/83/13/567878313.db2.gz JIDKNSYALTVJGU-UHFFFAOYSA-N 1 0 285.387 3.772 50 0 CHAARO Cc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000019841268 567879302 /nfs/dbraw/zinc/87/93/02/567879302.db2.gz MDHYKAYOOABKNV-UHFFFAOYSA-N 1 0 294.442 3.621 50 0 CHAARO Cc1ncccc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000019812863 567879346 /nfs/dbraw/zinc/87/93/46/567879346.db2.gz QTDNYYTZZBJDLI-UHFFFAOYSA-N 1 0 298.405 3.984 50 0 CHAARO Cc1cccc(CN2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000019789462 567879392 /nfs/dbraw/zinc/87/93/92/567879392.db2.gz FMQNAODKZJTOFW-UHFFFAOYSA-N 1 0 286.463 3.691 50 0 CHAARO C[C@H]1C[NH+](CCCCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000020118089 567880781 /nfs/dbraw/zinc/88/07/81/567880781.db2.gz LXEXTDQLQRFWCC-KBPBESRZSA-N 1 0 297.826 3.608 50 0 CHAARO CCCc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1 ZINC000024988353 567882770 /nfs/dbraw/zinc/88/27/70/567882770.db2.gz VZFZXDFRRKJSGO-QGZVFWFLSA-N 1 0 298.361 3.862 50 0 CHAARO COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029811083 567884232 /nfs/dbraw/zinc/88/42/32/567884232.db2.gz HDZHSFJQXXIVIO-GOSISDBHSA-N 1 0 295.382 3.593 50 0 CHAARO CC(C)(C)C1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000019636693 567884570 /nfs/dbraw/zinc/88/45/70/567884570.db2.gz OLAGXZPJGUQFRS-UHFFFAOYSA-N 1 0 266.473 3.667 50 0 CHAARO CC1(C)CC[C@](CC[NH+]2CCCC2)(c2ccccc2)CO1 ZINC000000341240 567887291 /nfs/dbraw/zinc/88/72/91/567887291.db2.gz NMVDSCNOGAKXCC-LJQANCHMSA-N 1 0 287.447 3.999 50 0 CHAARO Fc1ccccc1OCCCCC[NH+]1CCCCC1 ZINC000002885666 567888210 /nfs/dbraw/zinc/88/82/10/567888210.db2.gz LLBPXSREMQRATL-UHFFFAOYSA-N 1 0 265.372 3.861 50 0 CHAARO C/C=C(\C)CN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000022587885 567888384 /nfs/dbraw/zinc/88/83/84/567888384.db2.gz XQVHUDAFCAUCJH-KTKJYAEASA-N 1 0 276.468 3.682 50 0 CHAARO O[C@]12CCCC[C@H]1[C@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000043157567 567888599 /nfs/dbraw/zinc/88/85/99/567888599.db2.gz BPSBHMXEIGURBC-KKUMJFAQSA-N 1 0 299.336 3.661 50 0 CHAARO CCc1cc(OCCC2CC[NH2+]CC2)ccc1Cl ZINC000042771478 567891569 /nfs/dbraw/zinc/89/15/69/567891569.db2.gz MNLPOXJRDWOVOQ-UHFFFAOYSA-N 1 0 267.800 3.671 50 0 CHAARO Cc1cc(Br)ccc1OCCC1CC[NH2+]CC1 ZINC000042773782 567891733 /nfs/dbraw/zinc/89/17/33/567891733.db2.gz NPECQUXWOJOKSW-UHFFFAOYSA-N 1 0 298.224 3.526 50 0 CHAARO Cc1cc(Br)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042773797 567891737 /nfs/dbraw/zinc/89/17/37/567891737.db2.gz SSVODZMROHYVND-CYBMUJFWSA-N 1 0 298.224 3.669 50 0 CHAARO CC(C)(C)c1ccc(COCCC2CC[NH2+]CC2)cc1 ZINC000042772012 567891755 /nfs/dbraw/zinc/89/17/55/567891755.db2.gz FAMBJUTVKKORCS-UHFFFAOYSA-N 1 0 275.436 3.890 50 0 CHAARO CCCC[NH2+][C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004603259 567892755 /nfs/dbraw/zinc/89/27/55/567892755.db2.gz GIICTNPUJIMYDY-SFHVURJKSA-N 1 0 294.398 3.731 50 0 CHAARO Cc1cnc(CC[NH2+][C@@H]2CCSc3ccccc32)s1 ZINC000095423291 567894431 /nfs/dbraw/zinc/89/44/31/567894431.db2.gz NPNPQKKMYFUYJI-CYBMUJFWSA-N 1 0 290.457 3.821 50 0 CHAARO C[C@@H]1CCC[C@H]2CCC[N@H+](CC(=O)Nc3ccccc3)[C@H]12 ZINC000058081628 567895300 /nfs/dbraw/zinc/89/53/00/567895300.db2.gz RQMKDTOHBAISKM-RVKKMQEKSA-N 1 0 286.419 3.526 50 0 CHAARO C[C@@H]1CCC[C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3)[C@H]12 ZINC000058081639 567895555 /nfs/dbraw/zinc/89/55/55/567895555.db2.gz RQMKDTOHBAISKM-IIDMSEBBSA-N 1 0 286.419 3.526 50 0 CHAARO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc2sccc2c1 ZINC000065388249 567899145 /nfs/dbraw/zinc/89/91/45/567899145.db2.gz DOVGERRRQXHTKC-NSHDSACASA-N 1 0 263.406 3.540 50 0 CHAARO C[NH2+]Cc1cc(/C=C/c2ccccc2)ccc1OC ZINC000067740328 567900087 /nfs/dbraw/zinc/90/00/87/567900087.db2.gz DACJIUKUWZKIJJ-CMDGGOBGSA-N 1 0 253.345 3.585 50 0 CHAARO Fc1ccccc1-c1noc2c1C[N@H+](CC1CCC1)CC2 ZINC000067855511 567900431 /nfs/dbraw/zinc/90/04/31/567900431.db2.gz JXZNGGCRLOBLEB-UHFFFAOYSA-N 1 0 286.350 3.639 50 0 CHAARO Cc1cc(C)c(-c2ccc(C3(O)CC[NH2+]CC3)cc2)c(C)c1 ZINC000067822052 567900533 /nfs/dbraw/zinc/90/05/33/567900533.db2.gz CZKUWJHNPULFAT-UHFFFAOYSA-N 1 0 295.426 3.850 50 0 CHAARO Cc1csc(Cn2ccnc2[C@H](C)c2ccccc2)n1 ZINC000071753552 567901880 /nfs/dbraw/zinc/90/18/80/567901880.db2.gz QOIBSEHTOGYIRZ-CYBMUJFWSA-N 1 0 283.400 3.848 50 0 CHAARO Fc1cccc(OC[C@H]2CCCN(c3cc[nH+]cc3)C2)c1 ZINC000077425637 567905549 /nfs/dbraw/zinc/90/55/49/567905549.db2.gz UWSPXUDICJSICI-AWEZNQCLSA-N 1 0 286.350 3.516 50 0 CHAARO Cc1cccc(C)c1OCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247471 567908465 /nfs/dbraw/zinc/90/84/65/567908465.db2.gz QTZNHESGTDJNRS-CALCHBBNSA-N 1 0 291.435 3.572 50 0 CHAARO c1ccc2c(c1)oc1c2cccc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000095376537 567909574 /nfs/dbraw/zinc/90/95/74/567909574.db2.gz WOMXOUHRWVSYAC-UHFFFAOYSA-N 1 0 289.338 3.622 50 0 CHAARO COc1ccc(-c2cccc3c(N)cc[nH+]c32)cc1F ZINC000096161403 567909859 /nfs/dbraw/zinc/90/98/59/567909859.db2.gz MOTAVQVWINXCNE-UHFFFAOYSA-N 1 0 268.291 3.632 50 0 CHAARO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCCO)c2cccnc12 ZINC000097137755 567910391 /nfs/dbraw/zinc/91/03/91/567910391.db2.gz WFDUUCKPPYJDMK-QGZVFWFLSA-N 1 0 298.430 3.670 50 0 CHAARO c1cn(CC2CC[NH+](Cc3cc4ccccc4o3)CC2)cn1 ZINC000097259230 567910658 /nfs/dbraw/zinc/91/06/58/567910658.db2.gz NIMHVZHBPGPAAB-UHFFFAOYSA-N 1 0 295.386 3.542 50 0 CHAARO Clc1cccc(Cl)c1CN1CC([NH+]2CCCCC2)C1 ZINC000097638105 567910872 /nfs/dbraw/zinc/91/08/72/567910872.db2.gz BFPUKJCLVFBMGP-UHFFFAOYSA-N 1 0 299.245 3.664 50 0 CHAARO Fc1ccc([C@@H]2CCN2Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000097610236 567910922 /nfs/dbraw/zinc/91/09/22/567910922.db2.gz IJYOEXHAWGZOCI-INIZCTEOSA-N 1 0 297.333 3.756 50 0 CHAARO CSc1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000097823204 567911376 /nfs/dbraw/zinc/91/13/76/567911376.db2.gz AHKYFPWOPWAPEZ-HNNXBMFYSA-N 1 0 299.443 3.578 50 0 CHAARO Cc1ccc([C@@H](CC[NH3+])[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000201903 567924953 /nfs/dbraw/zinc/92/49/53/567924953.db2.gz GXWXGJWPSDTAAG-HZPDHXFCSA-N 1 0 261.409 3.633 50 0 biogenic CHAARO C[C@H](CC[NH2+]C1c2ccccc2-c2ccccc21)[S@](C)=O ZINC000166254097 567927426 /nfs/dbraw/zinc/92/74/26/567927426.db2.gz NFCZDHZGDPELJN-LRTDBIEQSA-N 1 0 299.439 3.503 50 0 CHAARO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cc2c(s1)CCC2 ZINC000166286363 567927551 /nfs/dbraw/zinc/92/75/51/567927551.db2.gz COGVIGNXRLVBQL-DYEKYZERSA-N 1 0 290.476 3.513 50 0 CHAARO Cc1ccc(O)c(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000426489350 567929016 /nfs/dbraw/zinc/92/90/16/567929016.db2.gz JZFJRQHYECFVAI-HNNXBMFYSA-N 1 0 297.398 3.761 50 0 CHAARO CC[NH+](CC)CCOc1c(Cl)cccc1Cl ZINC000000244745 567935404 /nfs/dbraw/zinc/93/54/04/567935404.db2.gz HOTCNUOKQNKWQK-UHFFFAOYSA-N 1 0 262.180 3.714 50 0 CHAARO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000164554149 567938258 /nfs/dbraw/zinc/93/82/58/567938258.db2.gz YLMHAMAONCKVHM-PHSQPZKOSA-N 1 0 297.508 3.625 50 0 CHAARO CCCOc1cc(C[NH2+]C(CC)CC)ccc1OC ZINC000098078512 567939367 /nfs/dbraw/zinc/93/93/67/567939367.db2.gz KHQVCMWHOKQHCB-UHFFFAOYSA-N 1 0 265.397 3.762 50 0 CHAARO CC1CC[NH+](CCCNCc2cc3ccccc3o2)CC1 ZINC000019994969 567945236 /nfs/dbraw/zinc/94/52/36/567945236.db2.gz VTUABFGTYIUVEU-UHFFFAOYSA-N 1 0 286.419 3.644 50 0 CHAARO Clc1ccc([C@H]([NH2+]C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000049900034 567946889 /nfs/dbraw/zinc/94/68/89/567946889.db2.gz VBUGGBZITDYIBV-JKSUJKDBSA-N 1 0 279.811 3.950 50 0 CHAARO CCn1cc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cn1 ZINC000216531141 567947774 /nfs/dbraw/zinc/94/77/74/567947774.db2.gz UMWOUEJUOAOCGC-OAHLLOKOSA-N 1 0 289.810 3.546 50 0 CHAARO COC[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225391832 567953237 /nfs/dbraw/zinc/95/32/37/567953237.db2.gz OMZDRPOIGRPMPN-NSHDSACASA-N 1 0 277.339 3.519 50 0 CHAARO COc1ccc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924797 567953935 /nfs/dbraw/zinc/95/39/35/567953935.db2.gz GPNBUYXFARTQBX-ZDUSSCGKSA-N 1 0 298.386 3.504 50 0 CHAARO CCc1ccccc1NC(=O)C[N@H+](C)C[C@@H](C)CC(C)C ZINC000225626136 567954215 /nfs/dbraw/zinc/95/42/15/567954215.db2.gz DHUUFUYVSXATHV-HNNXBMFYSA-N 1 0 290.451 3.802 50 0 CHAARO c1ccc(-c2ccc3c(c2)C=CC2(CC[NH2+]CC2)O3)cc1 ZINC000036141482 570233564 /nfs/dbraw/zinc/23/35/64/570233564.db2.gz IGCDWFRDQGEJPQ-UHFFFAOYSA-N 1 0 277.367 3.881 50 0 CHAARO Cc1ccsc1C[NH2+]Cc1ccccc1Cl ZINC000055027747 570240321 /nfs/dbraw/zinc/24/03/21/570240321.db2.gz JETCNPGDGHDBGZ-UHFFFAOYSA-N 1 0 251.782 4.000 50 0 CHAARO CCc1ccc(C[N@@H+](CC)Cc2ccc(OC)c(O)c2)cc1 ZINC000055153752 570241282 /nfs/dbraw/zinc/24/12/82/570241282.db2.gz ICWWEXIECMEDDY-UHFFFAOYSA-N 1 0 299.414 3.985 50 0 CHAARO CCOc1ccc(/[NH+]=c2/ccc3ccccc3n2C)cc1 ZINC000100294101 570266693 /nfs/dbraw/zinc/26/66/93/570266693.db2.gz DNKPFZQTBGABNV-HNENSFHCSA-N 1 0 278.355 3.809 50 0 CHAARO CCc1cc(CN(C)Cc2ccc(Cl)c(F)c2)on1 ZINC000215238044 570302249 /nfs/dbraw/zinc/30/22/49/570302249.db2.gz YVNNFMYQVSHMEY-UHFFFAOYSA-N 1 0 282.746 3.662 50 0 CHAARO CN(Cc1cc(C2CC2)on1)Cc1ccc2c(ccn2C)c1 ZINC000215820590 570304122 /nfs/dbraw/zinc/30/41/22/570304122.db2.gz WQAHQFROXSYYGJ-UHFFFAOYSA-N 1 0 295.386 3.676 50 0 CHAARO C[C@H]([NH2+][C@H]1C[C@H]2CCCc3cccc1c32)c1cnccn1 ZINC000685939708 570318204 /nfs/dbraw/zinc/31/82/04/570318204.db2.gz DWSHQHCTHHVTQY-BJJXKVORSA-N 1 0 279.387 3.692 50 0 CHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC000012445319 570319368 /nfs/dbraw/zinc/31/93/68/570319368.db2.gz DKMSTILZLFPFPQ-QGZVFWFLSA-N 1 0 283.419 3.563 50 0 CHAARO C[N@H+](CCOc1ccccc1)[C@@H](c1ccccn1)C1CC1 ZINC000244874616 570321324 /nfs/dbraw/zinc/32/13/24/570321324.db2.gz XEKRCBFQOXGOSL-GOSISDBHSA-N 1 0 282.387 3.544 50 0 CHAARO c1ccc2nc(SCC[NH+]3CCCCC3)ccc2c1 ZINC000016649649 570334469 /nfs/dbraw/zinc/33/44/69/570334469.db2.gz KRKGWPADWXMPMO-UHFFFAOYSA-N 1 0 272.417 3.813 50 0 CHAARO c1ccc(Cn2c3ccccc3c3c2CCC[NH2+]C3)cc1 ZINC000075567617 570355948 /nfs/dbraw/zinc/35/59/48/570355948.db2.gz ONGCBMCHDUCDPQ-UHFFFAOYSA-N 1 0 276.383 3.725 50 0 CHAARO Cc1cc(C)nc(NCc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000089599448 570366528 /nfs/dbraw/zinc/36/65/28/570366528.db2.gz XLPRHOYGIUFQJW-UHFFFAOYSA-N 1 0 298.434 3.546 50 0 CHAARO Cc1cnc([C@H]([NH2+][C@@H](C)CC2CC2)C2CC2)s1 ZINC000089702392 570368110 /nfs/dbraw/zinc/36/81/10/570368110.db2.gz ZIJNHJWXOBVNAI-TVQRCGJNSA-N 1 0 250.411 3.681 50 0 CHAARO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc2ccccc2s1 ZINC000252585097 570375430 /nfs/dbraw/zinc/37/54/30/570375430.db2.gz GDCSINLGACWXJI-ZKTNFTSUSA-N 1 0 295.473 3.709 50 0 CHAARO C[C@H]1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000000280004 570382933 /nfs/dbraw/zinc/38/29/33/570382933.db2.gz XGRCNMHFPNLYAF-GJZGRUSLSA-N 1 0 276.399 3.526 50 0 CHAARO CCOC(=O)N1CC[NH+](CC[C@@H](C)CCC=C(C)C)CC1 ZINC000002498211 570384138 /nfs/dbraw/zinc/38/41/38/570384138.db2.gz OLYXTAGSWVAEJD-INIZCTEOSA-N 1 0 296.455 3.533 50 0 CHAARO CC[C@@H]1C=CC[N@@H+]1C1CCN(c2ccc(F)cc2C)CC1 ZINC000952977616 615551219 /nfs/dbraw/zinc/55/12/19/615551219.db2.gz NRXMYOSOEAQNHN-MRXNPFEDSA-N 1 0 288.410 3.753 50 0 CHAARO Cc1cnc(C2CC2)n1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000257192844 1127606245 /nfs/dbraw/zinc/60/62/45/1127606245.db2.gz RAJVFGUILJPJQV-GOSISDBHSA-N 1 0 295.430 3.906 50 0 CHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccsc1 ZINC000073740584 1117958284 /nfs/dbraw/zinc/95/82/84/1117958284.db2.gz PIBNRAOLDMFIAQ-UHFFFAOYSA-N 1 0 286.400 3.596 50 0 CHAARO FC(F)(F)c1cccc([C@@H]2C[NH2+]C3(CCCC3)CO2)c1 ZINC000053068179 1118457127 /nfs/dbraw/zinc/45/71/27/1118457127.db2.gz CKFGMBPAJAMQJI-ZDUSSCGKSA-N 1 0 285.309 3.679 50 0 CHAARO CC(C)=CCC[C@H](C)C[N@H+](C)CCc1ccccn1 ZINC000002489724 1118568426 /nfs/dbraw/zinc/56/84/26/1118568426.db2.gz RCMXYUQVUVBWAJ-INIZCTEOSA-N 1 0 260.425 3.938 50 0 CHAARO COc1ccc([C@H]([NH2+]Cc2cccc(O)c2)C2CC2)cc1 ZINC000073053011 1119143734 /nfs/dbraw/zinc/14/37/34/1119143734.db2.gz NSHGQAZBDXWKSZ-GOSISDBHSA-N 1 0 283.371 3.642 50 0 CHAARO COc1ccccc1CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000002894027 1119146987 /nfs/dbraw/zinc/14/69/87/1119146987.db2.gz LAVSHUXWOROQLF-OAHLLOKOSA-N 1 0 299.414 3.554 50 0 CHAARO CC[NH+](CC)CCOCCOc1cccc2ccccc21 ZINC000002896421 1119147308 /nfs/dbraw/zinc/14/73/08/1119147308.db2.gz WIVTYHTWPKOIAI-UHFFFAOYSA-N 1 0 287.403 3.577 50 0 CHAARO Cc1ccc([C@@H]([NH2+]C[C@H]2CCCCO2)C2CC2)cc1 ZINC000051099996 1120168307 /nfs/dbraw/zinc/16/83/07/1120168307.db2.gz GBZAHSJSEPBFNM-IAGOWNOFSA-N 1 0 259.393 3.605 50 0 CHAARO Cc1cc([C@@H]2CCCC[N@@H+]2CCCc2cccnc2)no1 ZINC000243956765 1121453103 /nfs/dbraw/zinc/45/31/03/1121453103.db2.gz CDPQHBAYBNQDPO-KRWDZBQOSA-N 1 0 285.391 3.538 50 0 CHAARO c1ccc(C[N@@H+](C[C@H]2CCCOC2)C2CCCCC2)nc1 ZINC000244626834 1121469611 /nfs/dbraw/zinc/46/96/11/1121469611.db2.gz FTOANSYITFPJCQ-MRXNPFEDSA-N 1 0 288.435 3.643 50 0 CHAARO Cc1ccc(N2CCC([NH2+]C[C@H](C)CC(C)C)CC2)nc1 ZINC000585084352 1121497797 /nfs/dbraw/zinc/49/77/97/1121497797.db2.gz IMMUVDRKDZKVBX-MRXNPFEDSA-N 1 0 289.467 3.631 50 0 CHAARO c1cnn(Cc2cccc(C[NH+]3CCCCCCC3)c2)c1 ZINC000820408979 1121898727 /nfs/dbraw/zinc/89/87/27/1121898727.db2.gz XOYHOXNHTLOSQN-UHFFFAOYSA-N 1 0 283.419 3.698 50 0 CHAARO c1cc(-c2ccc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)s2)n[nH]1 ZINC000820403458 1121899323 /nfs/dbraw/zinc/89/93/23/1121899323.db2.gz VFLNLNYGIPZMBW-BETUJISGSA-N 1 0 285.416 3.536 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000038011490 1121917236 /nfs/dbraw/zinc/91/72/36/1121917236.db2.gz FRYIDMLWNUFKKQ-OAHLLOKOSA-N 1 0 275.783 3.612 50 0 CHAARO Cc1ccc(C(c2ccc(C)cc2)[N@@H+]2CCC[C@H]2O)cc1 ZINC000142493223 1122441518 /nfs/dbraw/zinc/44/15/18/1122441518.db2.gz OJVQTPHTCZUEFO-GOSISDBHSA-N 1 0 281.399 3.807 50 0 CHAARO Fc1ccccc1CCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000684426683 1123468546 /nfs/dbraw/zinc/46/85/46/1123468546.db2.gz QASMBCLWHKVXQF-QGZVFWFLSA-N 1 0 298.405 3.627 50 0 CHAARO Cn1ccc2cc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)ccc21 ZINC000825640414 1129324439 /nfs/dbraw/zinc/32/44/39/1129324439.db2.gz XTGZMCDNTCBXFW-CALCHBBNSA-N 1 0 266.388 3.576 50 0 CHAARO CN1CCC([N@H+](C)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000001227302 1129797935 /nfs/dbraw/zinc/79/79/35/1129797935.db2.gz DEZKCTSNAPXMHA-UHFFFAOYSA-N 1 0 294.442 3.880 50 0 CHAARO CC[N@H+](Cc1cc(C(C)C)c(OC)cc1C)[C@H](C)CCO ZINC000952860050 1132014902 /nfs/dbraw/zinc/01/49/02/1132014902.db2.gz AYMKMRZGYRYTAY-OAHLLOKOSA-N 1 0 293.451 3.720 50 0 CHAARO O[C@@H](c1cccs1)C1CC[NH+](Cc2cccs2)CC1 ZINC000952968332 1132018661 /nfs/dbraw/zinc/01/86/61/1132018661.db2.gz KXAFCOSRZCKOHJ-OAHLLOKOSA-N 1 0 293.457 3.755 50 0 CHAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000095968238 185046204 /nfs/dbraw/zinc/04/62/04/185046204.db2.gz CDCZCTDCRYKYMP-BTDLBPIBSA-N 1 0 288.366 3.639 50 0 CHAARO CSCC[C@H](C)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000095968202 185046233 /nfs/dbraw/zinc/04/62/33/185046233.db2.gz JANZJMDZOZZRQJ-ZOBUZTSGSA-N 1 0 292.492 3.553 50 0 CHAARO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000095968123 185046467 /nfs/dbraw/zinc/04/64/67/185046467.db2.gz AJWXTGBRHMKPDP-VOJFVSQTSA-N 1 0 287.856 3.538 50 0 CHAARO CCc1c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)cnn1C ZINC000426370444 529470272 /nfs/dbraw/zinc/47/02/72/529470272.db2.gz ZVILHYRSXJQJTR-AWEZNQCLSA-N 1 0 283.419 3.806 50 0 CHAARO CC[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000004893740 529696090 /nfs/dbraw/zinc/69/60/90/529696090.db2.gz SFUWCNMJJPKLAD-JKSUJKDBSA-N 1 0 288.435 3.813 50 0 CHAARO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCSCC1 ZINC000097038962 185510072 /nfs/dbraw/zinc/51/00/72/185510072.db2.gz VQSVPQSMOXILDJ-AWEZNQCLSA-N 1 0 281.396 3.525 50 0 CHAARO CCC(CC)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000095961295 535081386 /nfs/dbraw/zinc/08/13/86/535081386.db2.gz LRELLXZEHWTZKP-CQSZACIVSA-N 1 0 294.826 3.614 50 0 CHAARO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000108112411 186205621 /nfs/dbraw/zinc/20/56/21/186205621.db2.gz GVDOJAIWRYDSMD-HFTRVMKXSA-N 1 0 272.436 3.599 50 0 CHAARO CC(C)c1noc([C@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000215380548 189694173 /nfs/dbraw/zinc/69/41/73/189694173.db2.gz IENCTNHKIATMOY-ZDUSSCGKSA-N 1 0 291.420 3.634 50 0 CHAARO c1ccc2c(c1)cccc2OCCCC[NH2+]C[C@H]1CCCO1 ZINC000002591737 169814738 /nfs/dbraw/zinc/81/47/38/169814738.db2.gz GJARMTNGCCGKHM-QGZVFWFLSA-N 1 0 299.414 3.767 50 0 CHAARO CC(C)(C)[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000210439 169576231 /nfs/dbraw/zinc/57/62/31/169576231.db2.gz JNCYAVIHRADDCI-AWEZNQCLSA-N 1 0 296.414 3.544 50 0 CHAARO C[NH2+][C@H](C)Cc1ccccc1Sc1ccc(O)cc1 ZINC000000347802 169613735 /nfs/dbraw/zinc/61/37/35/169613735.db2.gz YNTKLVYGQBWKPR-GFCCVEGCSA-N 1 0 273.401 3.694 50 0 CHAARO CCC(=O)O[C@@](CC)(c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000071772230 184576204 /nfs/dbraw/zinc/57/62/04/184576204.db2.gz OBYFEDCJFQJOBI-WMZOPIPTSA-N 1 0 289.419 3.587 50 0 CHAARO COc1cc(C[NH2+][C@@H](C)c2cc3ccccc3o2)ccn1 ZINC000062057913 256862458 /nfs/dbraw/zinc/86/24/58/256862458.db2.gz ZOVVZYQUYJHNNE-LBPRGKRZSA-N 1 0 282.343 3.687 50 0 CHAARO COCCC[NH2+]CCCOc1ccc(C(C)(C)C)cc1C ZINC000003000924 169848330 /nfs/dbraw/zinc/84/83/30/169848330.db2.gz SBSWHEHEPUSNND-UHFFFAOYSA-N 1 0 293.451 3.688 50 0 CHAARO COc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000004700153 170001297 /nfs/dbraw/zinc/00/12/97/170001297.db2.gz VHQLASZVOXOLKZ-UHFFFAOYSA-N 1 0 271.404 3.610 50 0 CHAARO Fc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1 ZINC000004842508 170028216 /nfs/dbraw/zinc/02/82/16/170028216.db2.gz WGBPRPIBHHEWKT-UHFFFAOYSA-N 1 0 282.318 3.771 50 0 CHAARO c1ccc2cc3[nH]c(C[NH+]4CCCCC4)nc3cc2c1 ZINC000004902932 170039182 /nfs/dbraw/zinc/03/91/82/170039182.db2.gz LLGYEYCMOOHSIE-UHFFFAOYSA-N 1 0 265.360 3.702 50 0 CHAARO C[C@H]1CCC[N@H+](CCOc2cccc(C(F)(F)F)c2)C1 ZINC000004907454 170039719 /nfs/dbraw/zinc/03/97/19/170039719.db2.gz SFIRIVJTEQKOBT-LBPRGKRZSA-N 1 0 287.325 3.816 50 0 CHAARO COc1ccc(CC[N@H+](C)Cc2cccc(C)c2)cc1OC ZINC000004948488 170044426 /nfs/dbraw/zinc/04/44/26/170044426.db2.gz LGELAFZDEQTBPK-UHFFFAOYSA-N 1 0 299.414 3.687 50 0 CHAARO CCOc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000004977467 170048178 /nfs/dbraw/zinc/04/81/78/170048178.db2.gz LJPCMXXHLBHZSR-UHFFFAOYSA-N 1 0 267.372 3.644 50 0 CHAARO COc1ccccc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000004989521 170049919 /nfs/dbraw/zinc/04/99/19/170049919.db2.gz NMBIYNFXPQRUNF-HNNXBMFYSA-N 1 0 269.388 3.806 50 0 CHAARO C[NH2+]CCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000005013544 170055276 /nfs/dbraw/zinc/05/52/76/170055276.db2.gz UMBKEBNYVBBSLG-UHFFFAOYSA-N 1 0 269.388 3.611 50 0 CHAARO [NH3+][C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000005019531 170056438 /nfs/dbraw/zinc/05/64/38/170056438.db2.gz ZQNFUXDRYQQYAQ-LJQANCHMSA-N 1 0 289.378 3.623 50 0 CHAARO CCOc1ccccc1OC[C@@H](C[NH+](C)C)c1ccccc1 ZINC000005476090 170102854 /nfs/dbraw/zinc/10/28/54/170102854.db2.gz GOQNZYYJEHRBJM-QGZVFWFLSA-N 1 0 299.414 3.810 50 0 CHAARO C[C@@H](CC[NH+](C)C)Nc1ccnc2cc(Cl)ccc21 ZINC000006175381 170180789 /nfs/dbraw/zinc/18/07/89/170180789.db2.gz ZPMJAVPQXGHUIK-NSHDSACASA-N 1 0 277.799 3.640 50 0 CHAARO COc1ccc(C[C@H](C)[NH3+])c(Sc2ccccc2)c1 ZINC000006467982 170203561 /nfs/dbraw/zinc/20/35/61/170203561.db2.gz ZBVAOHMHFXIUII-LBPRGKRZSA-N 1 0 273.401 3.736 50 0 CHAARO [NH3+]C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1 ZINC000006645704 170221937 /nfs/dbraw/zinc/22/19/37/170221937.db2.gz VCXAETGEVHDYMF-AWEZNQCLSA-N 1 0 270.763 3.912 50 0 CHAARO CCc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000006645701 170222022 /nfs/dbraw/zinc/22/20/22/170222022.db2.gz DFIRNEWUMYFSCL-INIZCTEOSA-N 1 0 264.372 3.821 50 0 CHAARO COc1ccc(C)cc1CC[NH2+]C1CCC(C)CC1 ZINC000007736195 170299904 /nfs/dbraw/zinc/29/99/04/170299904.db2.gz VXGMLUVRVGGBCM-UHFFFAOYSA-N 1 0 261.409 3.714 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000007781795 170302140 /nfs/dbraw/zinc/30/21/40/170302140.db2.gz XNCYUWBPMNLQLB-AWEZNQCLSA-N 1 0 284.403 3.924 50 0 CHAARO CC[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008344394 170332494 /nfs/dbraw/zinc/33/24/94/170332494.db2.gz MTUFDDWMNDOBEV-BDAKNGLRSA-N 1 0 289.206 3.709 50 0 CHAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccccc2c1=O ZINC000008578994 170341829 /nfs/dbraw/zinc/34/18/29/170341829.db2.gz VASILJCGVSFSMZ-UHFFFAOYSA-N 1 0 272.392 3.871 50 0 biogenic CHAARO CC[NH+](CC)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714057 170348415 /nfs/dbraw/zinc/34/84/15/170348415.db2.gz JZXISLMWJPOVMP-UHFFFAOYSA-N 1 0 272.392 3.707 50 0 CHAARO c1ccc(COc2ccc([C@@H]3[NH2+]CCS3)cc2)cc1 ZINC000008730101 170350560 /nfs/dbraw/zinc/35/05/60/170350560.db2.gz FYAJTHNVORAUAP-MRXNPFEDSA-N 1 0 271.385 3.601 50 0 CHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2)cc1 ZINC000010003126 170394932 /nfs/dbraw/zinc/39/49/32/170394932.db2.gz PTUKVEWJQDOHFT-UHFFFAOYSA-N 1 0 281.334 3.506 50 0 CHAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccccc1 ZINC000010435809 170406700 /nfs/dbraw/zinc/40/67/00/170406700.db2.gz KQSAQDOESPLCCG-UHFFFAOYSA-N 1 0 285.387 3.772 50 0 CHAARO Cc1cc(OC2CC[NH2+]CC2)c(Cl)c(C)c1Cl ZINC000014631976 170640531 /nfs/dbraw/zinc/64/05/31/170640531.db2.gz DPFUGGCHJFUSMA-UHFFFAOYSA-N 1 0 274.191 3.741 50 0 CHAARO CC[NH+](CC)Cn1c2ccccc2sc1=S ZINC000019203620 170754386 /nfs/dbraw/zinc/75/43/86/170754386.db2.gz ZKHCQSQRLDZAOP-UHFFFAOYSA-N 1 0 252.408 3.732 50 0 CHAARO COc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000019720859 170843290 /nfs/dbraw/zinc/84/32/90/170843290.db2.gz RQYRWDOJDPZEPG-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000019803927 170873641 /nfs/dbraw/zinc/87/36/41/170873641.db2.gz DDOUSLZEXAVQAW-QGZVFWFLSA-N 1 0 265.356 3.536 50 0 CHAARO Fc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)c(F)c1 ZINC000020122471 171002755 /nfs/dbraw/zinc/00/27/55/171002755.db2.gz CLNQFQAVUSXFLU-UHFFFAOYSA-N 1 0 286.325 3.778 50 0 CHAARO CSc1ccc(C[NH2+][C@H](C)c2ccccn2)cc1 ZINC000020123851 171005522 /nfs/dbraw/zinc/00/55/22/171005522.db2.gz RDRISPAPVQVVRD-GFCCVEGCSA-N 1 0 258.390 3.654 50 0 CHAARO c1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000020136295 171023836 /nfs/dbraw/zinc/02/38/36/171023836.db2.gz XUFUJPJGSXYRBI-UHFFFAOYSA-N 1 0 254.358 3.586 50 0 CHAARO CC(C)CCOc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000020141292 171027790 /nfs/dbraw/zinc/02/77/90/171027790.db2.gz UDVKHDSQVVVZJE-UHFFFAOYSA-N 1 0 284.403 3.796 50 0 CHAARO Cc1ccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000020167973 171040503 /nfs/dbraw/zinc/04/05/03/171040503.db2.gz MBDOBPOTRVDBQP-KBPBESRZSA-N 1 0 297.826 3.527 50 0 CHAARO Cc1ccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC000020167970 171040898 /nfs/dbraw/zinc/04/08/98/171040898.db2.gz MBDOBPOTRVDBQP-ZIAGYGMSSA-N 1 0 297.826 3.527 50 0 CHAARO c1csc(C[NH2+]CCCOC2CCCCC2)c1 ZINC000020191378 171057400 /nfs/dbraw/zinc/05/74/00/171057400.db2.gz KORFMUXRDRNVNY-UHFFFAOYSA-N 1 0 253.411 3.577 50 0 CHAARO CC[N@@H+]1CCC[C@@H](CN(C)Cc2[nH]c3ccccc3c2C)C1 ZINC000020200944 171064476 /nfs/dbraw/zinc/06/44/76/171064476.db2.gz NUXMRIYJLBMSJY-INIZCTEOSA-N 1 0 299.462 3.640 50 0 CHAARO Clc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000020221546 171082763 /nfs/dbraw/zinc/08/27/63/171082763.db2.gz VDPGIJCPCJINPJ-LLVKDONJSA-N 1 0 274.191 3.904 50 0 CHAARO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)cc1 ZINC000020454276 171208318 /nfs/dbraw/zinc/20/83/18/171208318.db2.gz DESUOOVDXCMDOW-ZIAGYGMSSA-N 1 0 287.407 3.783 50 0 CHAARO Cc1ccc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)o1 ZINC000020781565 171272573 /nfs/dbraw/zinc/27/25/73/171272573.db2.gz VTPNQZRQFKQRMO-SFHVURJKSA-N 1 0 298.430 3.684 50 0 CHAARO C[C@@H]1Cc2cc([C@H]([NH3+])CCc3ccccc3)ccc2O1 ZINC000022078697 171352517 /nfs/dbraw/zinc/35/25/17/171352517.db2.gz VUEKMEXVKPGTAQ-CXAGYDPISA-N 1 0 267.372 3.643 50 0 CHAARO FC(F)(F)c1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000022143628 171355748 /nfs/dbraw/zinc/35/57/48/171355748.db2.gz KHLYZRHZQLLCMK-UHFFFAOYSA-N 1 0 255.239 3.588 50 0 CHAARO [NH3+][C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000022562892 171391115 /nfs/dbraw/zinc/39/11/15/171391115.db2.gz DKVHEFKXNOALTI-AWEZNQCLSA-N 1 0 299.267 3.923 50 0 CHAARO Fc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000023549866 171423944 /nfs/dbraw/zinc/42/39/44/171423944.db2.gz WWDHLOLWLHHFBH-UHFFFAOYSA-N 1 0 298.405 3.945 50 0 in-vitro CHAARO CC[NH2+][C@H](c1csc2ccccc21)c1cccnc1 ZINC000035555077 172261678 /nfs/dbraw/zinc/26/16/78/172261678.db2.gz ZXCNYYLWJALIOX-INIZCTEOSA-N 1 0 268.385 3.995 50 0 CHAARO CCC[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000037267029 173076980 /nfs/dbraw/zinc/07/69/80/173076980.db2.gz AKFHRIIXPAGLDO-MRXNPFEDSA-N 1 0 280.843 3.865 50 0 CHAARO CC(C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000037366880 173155964 /nfs/dbraw/zinc/15/59/64/173155964.db2.gz UPGMKSDQNAHMTF-UHFFFAOYSA-N 1 0 262.578 3.601 50 0 CHAARO CC(C)(C)c1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000037428871 173199842 /nfs/dbraw/zinc/19/98/42/173199842.db2.gz HLPYYWQPOOCOKQ-HNNXBMFYSA-N 1 0 261.409 3.895 50 0 CHAARO [NH3+]Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000038072433 174082846 /nfs/dbraw/zinc/08/28/46/174082846.db2.gz GQWVPUHZBFEBTL-UHFFFAOYSA-N 1 0 267.250 3.711 50 0 CHAARO Cc1noc(C)c1C[N@H+](Cc1ccccc1)C(C)C ZINC000040009432 174182573 /nfs/dbraw/zinc/18/25/73/174182573.db2.gz GMOSDSYTQRQDCQ-UHFFFAOYSA-N 1 0 258.365 3.702 50 0 CHAARO CC(C)(C)c1cc(Cl)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042771053 174871186 /nfs/dbraw/zinc/87/11/86/174871186.db2.gz ICFMHIGFWSGWEA-NSHDSACASA-N 1 0 267.800 3.626 50 0 CHAARO CC[C@H](C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042770838 174871202 /nfs/dbraw/zinc/87/12/02/174871202.db2.gz NVBHDMFJYNJPOP-NWDGAFQWSA-N 1 0 267.800 3.842 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089361 175392905 /nfs/dbraw/zinc/39/29/05/175392905.db2.gz QPRIYYBDMORMML-CQSZACIVSA-N 1 0 262.378 3.690 50 0 CHAARO CC(=O)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)cc1 ZINC000071712270 176248917 /nfs/dbraw/zinc/24/89/17/176248917.db2.gz HUFGNBIPYVFBGB-YHFFBGSDSA-N 1 0 283.415 3.757 50 0 CHAARO CC(C)(C)OCc1cccc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000071854230 176278187 /nfs/dbraw/zinc/27/81/87/176278187.db2.gz SFGWBJNOQODSDM-UHFFFAOYSA-N 1 0 299.414 3.997 50 0 CHAARO COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(OC)c2)c1 ZINC000072277122 176356502 /nfs/dbraw/zinc/35/65/02/176356502.db2.gz TZNZQFRVGHTXTG-AWEZNQCLSA-N 1 0 285.387 3.897 50 0 CHAARO C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1cccnc1 ZINC000076395871 177015400 /nfs/dbraw/zinc/01/54/00/177015400.db2.gz UVUYDHJTPFNGCA-LLVKDONJSA-N 1 0 296.292 3.831 50 0 CHAARO COCCC[C@@H]1CCC[N@H+](Cc2ccc(O)cc2Cl)C1 ZINC000077457477 177271466 /nfs/dbraw/zinc/27/14/66/177271466.db2.gz ADJIZBDKXVJCFT-ZDUSSCGKSA-N 1 0 297.826 3.684 50 0 CHAARO COc1ccc(C[NH+]2CCCCC2)c2ccccc12 ZINC000004988842 327883633 /nfs/dbraw/zinc/88/36/33/327883633.db2.gz HFYBDDDEZYARMF-UHFFFAOYSA-N 1 0 255.361 3.834 50 0 CHAARO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000049801479 328378419 /nfs/dbraw/zinc/37/84/19/328378419.db2.gz LCZIIMNACKGOHL-KRWDZBQOSA-N 1 0 261.409 3.547 50 0 CHAARO C/C(=C/c1ccccc1)C[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000501463048 332633881 /nfs/dbraw/zinc/63/38/81/332633881.db2.gz RWKVDGSNAQPGEI-QKXCFHHRSA-N 1 0 297.446 3.661 50 0 CHAARO CC1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000000279839 332969841 /nfs/dbraw/zinc/96/98/41/332969841.db2.gz QDLITQIXKCQBEE-UHFFFAOYSA-N 1 0 256.393 3.879 50 0 CHAARO Cc1cnc([C@H](C)[NH2+][C@@H](C)Cc2ccsc2)s1 ZINC000096479076 534657303 /nfs/dbraw/zinc/65/73/03/534657303.db2.gz GYLBFPCIJHFZGC-ONGXEEELSA-N 1 0 266.435 3.795 50 0 CHAARO O[C@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000019872324 526277305 /nfs/dbraw/zinc/27/73/05/526277305.db2.gz PIDCUNKRRFRBPG-GOSISDBHSA-N 1 0 293.366 3.770 50 0 CHAARO CC[NH+](CC)[C@@H](C)c1ccc(Br)cc1 ZINC000110363853 528235032 /nfs/dbraw/zinc/23/50/32/528235032.db2.gz HVRBOYHBUNISEY-JTQLQIEISA-N 1 0 256.187 3.852 50 0 CHAARO CCC(=O)c1ccc(OCCC[NH2+]C2CCCC2)cc1 ZINC000002845123 528467551 /nfs/dbraw/zinc/46/75/51/528467551.db2.gz POGLIGNUOAMDBT-UHFFFAOYSA-N 1 0 275.392 3.580 50 0 CHAARO C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000124117271 567882585 /nfs/dbraw/zinc/88/25/85/567882585.db2.gz ALMDGEVGPAUUJW-LBPRGKRZSA-N 1 0 261.262 3.529 50 0 CHAARO CC(C)c1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000048895427 567892778 /nfs/dbraw/zinc/89/27/78/567892778.db2.gz UZMUTXYHCQXFJU-KRWDZBQOSA-N 1 0 261.409 3.859 50 0 CHAARO CCCCn1c[n+](COC[C@H](C)CC)c2ccccc21 ZINC000230519788 566822881 /nfs/dbraw/zinc/82/28/81/566822881.db2.gz ZTAZXDIYROQALU-OAHLLOKOSA-N 1 0 275.416 3.749 50 0 CHAARO CCOC(=O)CCCC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000241383289 566826287 /nfs/dbraw/zinc/82/62/87/566826287.db2.gz MTZMWZZCGMWWRT-OAHLLOKOSA-N 1 0 295.448 3.864 50 0 CHAARO CCC1CCC([NH+](Cc2nc(C3CC3)no2)C2CC2)CC1 ZINC000052103575 566831819 /nfs/dbraw/zinc/83/18/19/566831819.db2.gz MJEDHBXGAHVIBT-UHFFFAOYSA-N 1 0 289.423 3.880 50 0 CHAARO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000035012323 566842345 /nfs/dbraw/zinc/84/23/45/566842345.db2.gz QYVLNGUSAXIKKK-AWEZNQCLSA-N 1 0 285.387 3.863 50 0 CHAARO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCn1ccnc1 ZINC000084656007 566884908 /nfs/dbraw/zinc/88/49/08/566884908.db2.gz ZLOXYIJCGSLCRJ-CYBMUJFWSA-N 1 0 277.799 3.620 50 0 CHAARO CC[NH2+]Cc1ccccc1Oc1cccc(OC)c1 ZINC000034664389 566915006 /nfs/dbraw/zinc/91/50/06/566915006.db2.gz WBIZJYQDRORCBH-UHFFFAOYSA-N 1 0 257.333 3.597 50 0 CHAARO O[C@H](C[NH2+]CC1CCCCCC1)c1ccc(F)c(F)c1 ZINC000075093143 566936501 /nfs/dbraw/zinc/93/65/01/566936501.db2.gz VSGZFULAXLKOJC-MRXNPFEDSA-N 1 0 283.362 3.558 50 0 CHAARO c1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC000064034271 566952848 /nfs/dbraw/zinc/95/28/48/566952848.db2.gz NKJBWZQGCAPMGQ-SFHVURJKSA-N 1 0 267.372 3.730 50 0 CHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000241795513 566967738 /nfs/dbraw/zinc/96/77/38/566967738.db2.gz RZTYYQXRKGPMMD-ZNMIVQPWSA-N 1 0 299.418 3.669 50 0 CHAARO Cc1ccnc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426723860 566991156 /nfs/dbraw/zinc/99/11/56/566991156.db2.gz KCIATYPFENBGBJ-AWEZNQCLSA-N 1 0 267.376 3.609 50 0 CHAARO Cc1c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)cnn1C ZINC000426606751 566991477 /nfs/dbraw/zinc/99/14/77/566991477.db2.gz NPVASJAUTGVQNA-ZDUSSCGKSA-N 1 0 269.392 3.552 50 0 CHAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COC(C)(C)C ZINC000036099389 566993886 /nfs/dbraw/zinc/99/38/86/566993886.db2.gz YOFBTXGSANEOPO-ZFWWWQNUSA-N 1 0 299.480 3.525 50 0 CHAARO CCC[C@H](O)C[N@H+](CCC(C)C)Cc1ccc(C)o1 ZINC000036098046 566993962 /nfs/dbraw/zinc/99/39/62/566993962.db2.gz LCZHIGUDUPBNBM-HNNXBMFYSA-N 1 0 267.413 3.597 50 0 CHAARO CC[NH+](CC)CCCSc1nc2ccccc2o1 ZINC000170605495 567014352 /nfs/dbraw/zinc/01/43/52/567014352.db2.gz KZMVTWZUDFSXMP-UHFFFAOYSA-N 1 0 264.394 3.652 50 0 CHAARO COc1ccc(OCCC[NH2+][C@H](C)c2ccccc2)cc1 ZINC000002824032 567037146 /nfs/dbraw/zinc/03/71/46/567037146.db2.gz SDKWLSSJSGKEOT-OAHLLOKOSA-N 1 0 285.387 3.815 50 0 CHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCOc2ccccc2)C1 ZINC000002822514 567037452 /nfs/dbraw/zinc/03/74/52/567037452.db2.gz RZZGHPUMDIFXHE-IYBDPMFKSA-N 1 0 261.409 3.824 50 0 CHAARO C[C@H]1CCC[N@@H+]1[C@H]1CCc2cc(Br)ccc2C1 ZINC000168508526 567092708 /nfs/dbraw/zinc/09/27/08/567092708.db2.gz LTNYAOGNSQCGDM-NHYWBVRUSA-N 1 0 294.236 3.791 50 0 CHAARO Fc1cccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000055028074 567100621 /nfs/dbraw/zinc/10/06/21/567100621.db2.gz ONYKPVGUPQMSPC-GOSISDBHSA-N 1 0 278.330 3.809 50 0 CHAARO Cc1ccc2c(C[NH+]3CCC(C)CC3)cc(=O)oc2c1C ZINC000002349935 567100636 /nfs/dbraw/zinc/10/06/36/567100636.db2.gz JCKOVZQVAQMUMJ-UHFFFAOYSA-N 1 0 285.387 3.642 50 0 biogenic CHAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)s2)s1 ZINC000095418513 567132090 /nfs/dbraw/zinc/13/20/90/567132090.db2.gz GIKXYOPWYYGJGP-JTQLQIEISA-N 1 0 267.419 3.977 50 0 CHAARO C=Cn1cc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)cn1 ZINC000278568433 567125605 /nfs/dbraw/zinc/12/56/05/567125605.db2.gz CMGBNGKTTXWZGF-UHFFFAOYSA-N 1 0 275.783 3.662 50 0 CHAARO CC[NH2+]Cc1ccccc1NC(=O)c1coc2ccccc12 ZINC000095396914 567129881 /nfs/dbraw/zinc/12/98/81/567129881.db2.gz AZVMKVLZMUQMSE-UHFFFAOYSA-N 1 0 294.354 3.795 50 0 CHAARO CC(C)CSC[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000095419215 567132288 /nfs/dbraw/zinc/13/22/88/567132288.db2.gz JNGLMTALZAJMGS-CHWSQXEVSA-N 1 0 252.427 3.510 50 0 CHAARO CC[C@@H](c1ccc(F)cc1)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000095459822 567134808 /nfs/dbraw/zinc/13/48/08/567134808.db2.gz MROQFQNRXHEZDW-KRWDZBQOSA-N 1 0 290.426 3.837 50 0 CHAARO C[C@H](CCO)C1(C[NH2+]Cc2ccc(Cl)s2)CCC1 ZINC000095988549 567136632 /nfs/dbraw/zinc/13/66/32/567136632.db2.gz FTYDHZJCXRSCCN-LLVKDONJSA-N 1 0 287.856 3.680 50 0 CHAARO CCC[C@H](C[N@@H+]1CCC[C@H]([C@@H](C)O)C1)c1ccccc1 ZINC000095468619 567136742 /nfs/dbraw/zinc/13/67/42/567136742.db2.gz FXTDLOQKWDLYFF-BPQIPLTHSA-N 1 0 275.436 3.663 50 0 CHAARO CCC[C@]12CC[C@H]3c4ccc(O)cc4CC[N@@H+]3[C@@H]1CCC2=O ZINC000096028060 567138883 /nfs/dbraw/zinc/13/88/83/567138883.db2.gz KKAVQDMECOIUDA-SCTDSRPQSA-N 1 0 299.414 3.603 50 0 CHAARO COc1cc2c(cc1OC)[NH+]=C(C)N(c1ccccc1)C2 ZINC000096027777 567139498 /nfs/dbraw/zinc/13/94/98/567139498.db2.gz OZXKJZVLMANKHP-UHFFFAOYSA-N 1 0 282.343 3.774 50 0 CHAARO CCCC[C@@H](CC)C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000002647022 567151161 /nfs/dbraw/zinc/15/11/61/567151161.db2.gz KYRXGNDXTRQLMI-SJORKVTESA-N 1 0 293.451 3.541 50 0 CHAARO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]C(C)C)c2ccccc2)c1 ZINC000003413937 567171670 /nfs/dbraw/zinc/17/16/70/567171670.db2.gz HKEUSTHPWBAXDQ-SFHVURJKSA-N 1 0 296.414 3.981 50 0 CHAARO CSc1ccccc1NC(=O)C[NH+]1CCCCCCC1 ZINC000003538895 567178814 /nfs/dbraw/zinc/17/88/14/567178814.db2.gz LSBHCSMODXEAFG-UHFFFAOYSA-N 1 0 292.448 3.613 50 0 CHAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000670473775 567197889 /nfs/dbraw/zinc/19/78/89/567197889.db2.gz VCWUUOYXKVWLKF-AWEZNQCLSA-N 1 0 294.402 3.579 50 0 CHAARO CC[NH+](CC)CCOc1ccc(Cc2ccccc2)cc1 ZINC000000002139 567816490 /nfs/dbraw/zinc/81/64/90/567816490.db2.gz NFIXBCVWIPOYCD-UHFFFAOYSA-N 1 0 283.415 3.998 50 0 investigational CHAARO C[NH+](C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000000057127 567817146 /nfs/dbraw/zinc/81/71/46/567817146.db2.gz POTVAILTNPOQJH-UHFFFAOYSA-N 1 0 280.371 3.809 50 0 CHAARO Cc1c(C)c(C)c(C[NH+]2CCSCC2)c(C)c1C ZINC000000140219 567820091 /nfs/dbraw/zinc/82/00/91/567820091.db2.gz YONOEZZTUAGYKJ-UHFFFAOYSA-N 1 0 263.450 3.778 50 0 CHAARO COc1ccccc1C[NH2+]Cc1ccc(SC)cc1 ZINC000000172195 567821254 /nfs/dbraw/zinc/82/12/54/567821254.db2.gz VYOGBOUZLZXXKN-UHFFFAOYSA-N 1 0 273.401 3.707 50 0 CHAARO O=C(CCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000000177740 567821767 /nfs/dbraw/zinc/82/17/67/567821767.db2.gz NMALCZJKSYZTRE-UHFFFAOYSA-N 1 0 297.373 3.847 50 0 CHAARO C[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21 ZINC000000242382 567822739 /nfs/dbraw/zinc/82/27/39/567822739.db2.gz WBGOZXFMJLDJFS-UHFFFAOYSA-N 1 0 271.343 3.880 50 0 biogenic CHAARO COc1cc(C[NH2+]C2CCCCCC2)cc(OC)c1OC ZINC000000279946 567823731 /nfs/dbraw/zinc/82/37/31/567823731.db2.gz LKZYJHOBZAMOTO-UHFFFAOYSA-N 1 0 293.407 3.525 50 0 CHAARO CCc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000000294142 567824162 /nfs/dbraw/zinc/82/41/62/567824162.db2.gz JYRHOQLMCDJWOD-UHFFFAOYSA-N 1 0 298.405 3.710 50 0 CHAARO CC[NH+]1CCC(NCc2ccc(Cl)cc2Cl)CC1 ZINC000000758086 567834833 /nfs/dbraw/zinc/83/48/33/567834833.db2.gz LMLLWUKWVHNBHE-UHFFFAOYSA-N 1 0 287.234 3.567 50 0 CHAARO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCCCC1 ZINC000001038945 567835699 /nfs/dbraw/zinc/83/56/99/567835699.db2.gz AHUOQGOMERVRLA-CQSZACIVSA-N 1 0 288.435 3.797 50 0 CHAARO Cc1cc(C)cc(NC(=O)CC[N@@H+](C)Cc2ccccc2)c1 ZINC000001178344 567836623 /nfs/dbraw/zinc/83/66/23/567836623.db2.gz QLYXZKMARWFLMN-UHFFFAOYSA-N 1 0 296.414 3.764 50 0 CHAARO COc1ccc(CC[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000001847621 567843497 /nfs/dbraw/zinc/84/34/97/567843497.db2.gz OTIYKYJQMIKBKY-UHFFFAOYSA-N 1 0 287.428 3.749 50 0 CHAARO COc1ccccc1OCCCC[NH+]1CCC(C)CC1 ZINC000002190776 567845229 /nfs/dbraw/zinc/84/52/29/567845229.db2.gz RZNOKHNYXVKTKY-UHFFFAOYSA-N 1 0 277.408 3.586 50 0 CHAARO Clc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000002494098 567845997 /nfs/dbraw/zinc/84/59/97/567845997.db2.gz FDEXZUQUIVMUEQ-UHFFFAOYSA-N 1 0 267.800 3.985 50 0 CHAARO Cc1cccc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)c1C ZINC000002514899 567846142 /nfs/dbraw/zinc/84/61/42/567846142.db2.gz CAPIGWFRVCVUCE-UHFFFAOYSA-N 1 0 291.394 3.906 50 0 CHAARO FC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000002506626 567846204 /nfs/dbraw/zinc/84/62/04/567846204.db2.gz PGKMVPFJFKOUDA-INIZCTEOSA-N 1 0 255.336 3.652 50 0 CHAARO CCCC[N@H+](Cc1ccccc1)Cc1cccnc1 ZINC000002498079 567846298 /nfs/dbraw/zinc/84/62/98/567846298.db2.gz OZESSPKOGXSHQU-UHFFFAOYSA-N 1 0 254.377 3.884 50 0 CHAARO CC(C)[C@@H]([NH3+])C(F)(c1ccccc1)c1ccccc1 ZINC000002506631 567846338 /nfs/dbraw/zinc/84/63/38/567846338.db2.gz MJIXRSWLVFUMCB-MRXNPFEDSA-N 1 0 257.352 3.883 50 0 CHAARO Cc1cccc(C(=O)c2ccccc2C[NH+]2CCCC2)c1 ZINC000002515543 567846819 /nfs/dbraw/zinc/84/68/19/567846819.db2.gz MMIBBXVEQMFSAL-UHFFFAOYSA-N 1 0 279.383 3.822 50 0 CHAARO Cc1c(Cl)ccc(OCCCC[NH+](C)C)c1C ZINC000002823340 567849537 /nfs/dbraw/zinc/84/95/37/567849537.db2.gz TUISUFVGDIEQJB-UHFFFAOYSA-N 1 0 255.789 3.677 50 0 CHAARO Clc1ccccc1OCCC[NH+]1CCCCCC1 ZINC000002838950 567849652 /nfs/dbraw/zinc/84/96/52/567849652.db2.gz BJSOCBSTHCMLTG-UHFFFAOYSA-N 1 0 267.800 3.985 50 0 CHAARO COCCC[NH2+]CCCOc1cc(C)ccc1C(C)(C)C ZINC000003003240 567851179 /nfs/dbraw/zinc/85/11/79/567851179.db2.gz PFYYMNUOERPZJA-UHFFFAOYSA-N 1 0 293.451 3.688 50 0 CHAARO CCCC[NH2+]CCOCCSc1ccc(Cl)cc1 ZINC000003003908 567851483 /nfs/dbraw/zinc/85/14/83/567851483.db2.gz IAYKDNJLSYQHSG-UHFFFAOYSA-N 1 0 287.856 3.838 50 0 CHAARO NC(=[NH2+])Sc1cn(Cc2ccccc2)c2ccccc12 ZINC000003866080 567854102 /nfs/dbraw/zinc/85/41/02/567854102.db2.gz VSILOEHJANCMNQ-UHFFFAOYSA-N 1 0 281.384 3.675 50 0 CHAARO C/C=C(\C)CN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000584904431 567859793 /nfs/dbraw/zinc/85/97/93/567859793.db2.gz XQVHUDAFCAUCJH-YUTZCPGQSA-N 1 0 276.468 3.682 50 0 CHAARO C[N@H+](Cc1nc(CCc2ccccc2)no1)C1CCCCC1 ZINC000012057015 567862419 /nfs/dbraw/zinc/86/24/19/567862419.db2.gz XVNXJSXFJJFMEA-UHFFFAOYSA-N 1 0 299.418 3.619 50 0 CHAARO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012228605 567862579 /nfs/dbraw/zinc/86/25/79/567862579.db2.gz UIAPUMMNWHJDPP-LLVKDONJSA-N 1 0 291.782 3.622 50 0 CHAARO Cc1cccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)n1 ZINC000012448129 567863533 /nfs/dbraw/zinc/86/35/33/567863533.db2.gz YQAJEANRKGUCNZ-SFHVURJKSA-N 1 0 299.393 3.606 50 0 CHAARO c1ccc(Oc2ccc(OC3CC[NH2+]CC3)cc2)cc1 ZINC000014631925 567869494 /nfs/dbraw/zinc/86/94/94/567869494.db2.gz BOOQGFFJYGHEDU-UHFFFAOYSA-N 1 0 269.344 3.610 50 0 CHAARO CCC[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000014990280 567870042 /nfs/dbraw/zinc/87/00/42/567870042.db2.gz WQNKUBCFENJEBJ-INIZCTEOSA-N 1 0 283.419 3.975 50 0 CHAARO Fc1ccc(CN2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000019594724 567878111 /nfs/dbraw/zinc/87/81/11/567878111.db2.gz OCUXXASCMKETMU-UHFFFAOYSA-N 1 0 280.346 3.865 50 0 CHAARO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000019720373 567878517 /nfs/dbraw/zinc/87/85/17/567878517.db2.gz ZZPGADKRRFCILJ-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO CCC(CC)[NH2+]Cc1cc(Br)ccc1F ZINC000019883703 567879659 /nfs/dbraw/zinc/87/96/59/567879659.db2.gz FPXIECGHWFXZCV-UHFFFAOYSA-N 1 0 274.177 3.866 50 0 CHAARO O[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000019872043 567879684 /nfs/dbraw/zinc/87/96/84/567879684.db2.gz DAZHQEDFTALLLX-HNNXBMFYSA-N 1 0 295.304 3.529 50 0 CHAARO [NH3+][C@H](c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000019967977 567880558 /nfs/dbraw/zinc/88/05/58/567880558.db2.gz SDMAZUVUXSCFFK-MRXNPFEDSA-N 1 0 289.762 3.549 50 0 CHAARO C[C@@H]1C[NH+](CCCCOc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000020118086 567880726 /nfs/dbraw/zinc/88/07/26/567880726.db2.gz LXEXTDQLQRFWCC-ZIAGYGMSSA-N 1 0 297.826 3.608 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cccc(F)c1 ZINC000020081909 567880796 /nfs/dbraw/zinc/88/07/96/567880796.db2.gz FQFZGFYGCVKNLK-KRWDZBQOSA-N 1 0 296.345 3.551 50 0 biogenic,in-vitro CHAARO c1ccc(Oc2cccc(C[C@H]3CCC[NH2+]3)c2)cc1 ZINC000124092047 567882418 /nfs/dbraw/zinc/88/24/18/567882418.db2.gz KCANWSDWAWRLCO-OAHLLOKOSA-N 1 0 253.345 3.773 50 0 CHAARO C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000214858 567887294 /nfs/dbraw/zinc/88/72/94/567887294.db2.gz ZRLLHUDFZDCCPR-CJNGLKHVSA-N 1 0 278.827 3.651 50 0 CHAARO C[C@H](Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000000182673 567887315 /nfs/dbraw/zinc/88/73/15/567887315.db2.gz UCHLBQBKXVDILA-MRXNPFEDSA-N 1 0 298.405 3.579 50 0 CHAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2cccnc2)o1 ZINC000022034652 567888120 /nfs/dbraw/zinc/88/81/20/567888120.db2.gz BEUOJAQGJMVKIM-ZDUSSCGKSA-N 1 0 272.392 3.829 50 0 CHAARO CCOc1ccccc1OCCCC[NH+]1CCCCC1 ZINC000002931937 567888394 /nfs/dbraw/zinc/88/83/94/567888394.db2.gz OIQGTUBJCMTKBZ-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 CHAARO Cc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000004980512 567888405 /nfs/dbraw/zinc/88/84/05/567888405.db2.gz QMPBAKPCKCRGHI-UHFFFAOYSA-N 1 0 294.442 3.668 50 0 CHAARO CCCC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001673 567890419 /nfs/dbraw/zinc/89/04/19/567890419.db2.gz RUJOVBANFACBNC-QMMMGPOBSA-N 1 0 262.216 3.961 50 0 CHAARO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH3+] ZINC000040994050 567890778 /nfs/dbraw/zinc/89/07/78/567890778.db2.gz DKIXVPMMJGAICQ-ZETCQYMHSA-N 1 0 297.221 3.901 50 0 CHAARO CCC(CC)C[NH2+]Cc1ccccc1Br ZINC000042419170 567891506 /nfs/dbraw/zinc/89/15/06/567891506.db2.gz VECFPEDHBPBRQC-UHFFFAOYSA-N 1 0 270.214 3.975 50 0 CHAARO Cc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042772187 567891520 /nfs/dbraw/zinc/89/15/20/567891520.db2.gz MKWOLIADSDFBHH-LBPRGKRZSA-N 1 0 298.224 3.526 50 0 CHAARO CCCc1cc(Br)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042774468 567891597 /nfs/dbraw/zinc/89/15/97/567891597.db2.gz XLEGUFJKQJPKBL-ZDUSSCGKSA-N 1 0 298.224 3.532 50 0 CHAARO CC(C)(C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775352 567891883 /nfs/dbraw/zinc/89/18/83/567891883.db2.gz AKPPASMZZUYYNG-LBPRGKRZSA-N 1 0 267.800 3.768 50 0 CHAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000095408715 567893632 /nfs/dbraw/zinc/89/36/32/567893632.db2.gz ZAXBPNLIYFJJBU-GFCCVEGCSA-N 1 0 260.768 3.928 50 0 CHAARO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 ZINC000058123587 567895470 /nfs/dbraw/zinc/89/54/70/567895470.db2.gz QHZWILTUFPJLSM-SFHVURJKSA-N 1 0 292.382 3.524 50 0 CHAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000064666883 567897982 /nfs/dbraw/zinc/89/79/82/567897982.db2.gz AMBALUACOSHJJT-OAHLLOKOSA-N 1 0 286.375 3.719 50 0 CHAARO CCn1nc(C)c(C[NH2+][C@@H](C)CC(C)(C)SC)c1C ZINC000065370187 567898446 /nfs/dbraw/zinc/89/84/46/567898446.db2.gz SBFRGKWZVLVIMG-NSHDSACASA-N 1 0 283.485 3.530 50 0 CHAARO CC[N@@H+](Cc1cc2ccccc2o1)CC1CCOCC1 ZINC000065428217 567899075 /nfs/dbraw/zinc/89/90/75/567899075.db2.gz JNRNIONOKPHZBD-UHFFFAOYSA-N 1 0 273.376 3.681 50 0 CHAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc2ccccc2n1C ZINC000065436232 567899286 /nfs/dbraw/zinc/89/92/86/567899286.db2.gz YSHXHYIUIYENTR-AWEZNQCLSA-N 1 0 279.387 3.766 50 0 CHAARO Cc1c(-c2ccccc2)ncn1CCCC[NH+]1CCCC1 ZINC000065396618 567899326 /nfs/dbraw/zinc/89/93/26/567899326.db2.gz CRSAGUVZFROHCO-UHFFFAOYSA-N 1 0 283.419 3.735 50 0 CHAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cn(C)c2ccccc12 ZINC000065432955 567899333 /nfs/dbraw/zinc/89/93/33/567899333.db2.gz ANPURGBUJMGHMF-CQSZACIVSA-N 1 0 279.387 3.766 50 0 CHAARO CC[C@H](C)[NH2+]Cc1cc(-c2ccccc2Cl)on1 ZINC000065396531 567899353 /nfs/dbraw/zinc/89/93/53/567899353.db2.gz NOSOIHMGTQTKTA-JTQLQIEISA-N 1 0 264.756 3.883 50 0 CHAARO Cc1n[nH]c(C)c1CCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000067713527 567900180 /nfs/dbraw/zinc/90/01/80/567900180.db2.gz YIPRDMMUCLLUOT-AWEZNQCLSA-N 1 0 285.435 3.570 50 0 CHAARO Cc1ccc2[nH]cc(-c3cc(C[NH3+])ccc3F)c2c1 ZINC000067804177 567900631 /nfs/dbraw/zinc/90/06/31/567900631.db2.gz UUEIDHZXVOVHLG-UHFFFAOYSA-N 1 0 254.308 3.741 50 0 CHAARO Cc1ccc2[nH]c(C[NH2+][C@H](C)Cc3cccs3)nc2c1C ZINC000067920152 567901089 /nfs/dbraw/zinc/90/10/89/567901089.db2.gz VJDBMFQARLWHFS-GFCCVEGCSA-N 1 0 299.443 3.962 50 0 CHAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](C(C)C)CC2)c1 ZINC000067934366 567901102 /nfs/dbraw/zinc/90/11/02/567901102.db2.gz FNPLQMXXAQRFMB-UHFFFAOYSA-N 1 0 299.418 3.673 50 0 CHAARO C[C@@H](NC(=O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000011231999 567903167 /nfs/dbraw/zinc/90/31/67/567903167.db2.gz CAUVGKLXJDNKAV-OAHLLOKOSA-N 1 0 296.414 3.503 50 0 CHAARO COC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000056908404 567905824 /nfs/dbraw/zinc/90/58/24/567905824.db2.gz HAMCBSFEACKSBN-GFCCVEGCSA-N 1 0 288.218 3.852 50 0 CHAARO OC[C@H]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000121334483 567906274 /nfs/dbraw/zinc/90/62/74/567906274.db2.gz PIDBRROANDWCTC-OSAQELSMSA-N 1 0 295.423 3.503 50 0 CHAARO CC[NH+](CC)Cc1ccc(Br)c(Cl)c1 ZINC000090413779 567908041 /nfs/dbraw/zinc/90/80/41/567908041.db2.gz MQUUCGVJXCDSDG-UHFFFAOYSA-N 1 0 276.605 3.944 50 0 CHAARO O=C(c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000055422138 567908874 /nfs/dbraw/zinc/90/88/74/567908874.db2.gz GQCCTZGWWWUYLS-QGZVFWFLSA-N 1 0 265.356 3.706 50 0 CHAARO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000096318759 567910135 /nfs/dbraw/zinc/91/01/35/567910135.db2.gz DVFVULWSBWKNRS-HDICACEKSA-N 1 0 294.442 3.781 50 0 CHAARO CCCCCCOc1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1 ZINC000097334240 567910486 /nfs/dbraw/zinc/91/04/86/567910486.db2.gz SJFAEWBBCLBDJN-UHFFFAOYSA-N 1 0 299.418 3.682 50 0 CHAARO C[N@H+](CC[C@H]1CCCCO1)Cc1ccc2cc(O)ccc2c1 ZINC000097402547 567910553 /nfs/dbraw/zinc/91/05/53/567910553.db2.gz ZTKNYLCGKHANGY-LJQANCHMSA-N 1 0 299.414 3.936 50 0 CHAARO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C[C@@H]1C ZINC000095451040 567914974 /nfs/dbraw/zinc/91/49/74/567914974.db2.gz WNQZBQCCYVWQBJ-NUEKZKHPSA-N 1 0 295.467 3.913 50 0 CHAARO c1ccc(C[N@H+]2CC=C(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000000197996 567925097 /nfs/dbraw/zinc/92/50/97/567925097.db2.gz WWKHLSANYDLDKY-UHFFFAOYSA-N 1 0 289.382 3.852 50 0 CHAARO C[C@H](O)c1ncc(C[NH2+]C(C)(C)CC(C)(C)C)s1 ZINC000253428647 567930381 /nfs/dbraw/zinc/93/03/81/567930381.db2.gz KKRNRFRPOOWACG-JTQLQIEISA-N 1 0 270.442 3.501 50 0 CHAARO c1ccc(COC[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000062161956 567932064 /nfs/dbraw/zinc/93/20/64/567932064.db2.gz PUNYGCONFSAWHD-GOSISDBHSA-N 1 0 296.414 3.510 50 0 CHAARO c1ccc(C2CCC([NH2+]CCc3ccccn3)CC2)cc1 ZINC000000214644 567935615 /nfs/dbraw/zinc/93/56/15/567935615.db2.gz CQHAEGJMEHSJRA-UHFFFAOYSA-N 1 0 280.415 3.940 50 0 CHAARO C[C@H]([NH3+])c1cccc(Br)c1OCC(C)(F)F ZINC000585662250 567938828 /nfs/dbraw/zinc/93/88/28/567938828.db2.gz QJEGAWYSFLPVFG-ZETCQYMHSA-N 1 0 294.139 3.503 50 0 CHAARO CC1(C)C[C@@H]([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)CCO1 ZINC000000518093 567941899 /nfs/dbraw/zinc/94/18/99/567941899.db2.gz TYMZPQWLYHQVOT-LRDDRELGSA-N 1 0 284.403 3.560 50 0 biogenic CHAARO CC[C@@H]1CCC[C@H]([NH2+][C@H](CC(=O)OC)c2cccs2)C1 ZINC000108081437 567946163 /nfs/dbraw/zinc/94/61/63/567946163.db2.gz ODYLXWLXXMGZFM-HZSPNIEDSA-N 1 0 295.448 3.911 50 0 CHAARO Oc1cccc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)c1 ZINC000216180990 567947562 /nfs/dbraw/zinc/94/75/62/567947562.db2.gz ONEYDGPWAGJMIR-SFHVURJKSA-N 1 0 296.414 3.775 50 0 CHAARO CCc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000216435742 567947649 /nfs/dbraw/zinc/94/76/49/567947649.db2.gz NAEWZTQYELOOSV-MRXNPFEDSA-N 1 0 284.378 3.773 50 0 CHAARO CCC1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000023280594 567948547 /nfs/dbraw/zinc/94/85/47/567948547.db2.gz KWKREXIXGBGAFU-UHFFFAOYSA-N 1 0 272.436 3.777 50 0 CHAARO CC(C)C[NH+](Cc1cncn1C(C)C)CC(C)C ZINC000222439840 567948987 /nfs/dbraw/zinc/94/89/87/567948987.db2.gz JCRFTZRQACKPRT-UHFFFAOYSA-N 1 0 251.418 3.578 50 0 CHAARO COCC[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225392669 567953303 /nfs/dbraw/zinc/95/33/03/567953303.db2.gz CLEIWPUEFFYQTR-LBPRGKRZSA-N 1 0 291.366 3.909 50 0 CHAARO COC(=O)CCCC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000225514148 567953569 /nfs/dbraw/zinc/95/35/69/567953569.db2.gz HZAZAXCAZLKAHQ-KRWDZBQOSA-N 1 0 289.419 3.784 50 0 CHAARO CC[N@H+](C)C[C@H]1CC[NH+](CCCC2CCCCC2)C1 ZINC000225639082 567954352 /nfs/dbraw/zinc/95/43/52/567954352.db2.gz JGLSBAVMNQIFKS-QGZVFWFLSA-N 1 0 266.473 3.621 50 0 CHAARO CCC(CC)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000004685481 570215964 /nfs/dbraw/zinc/21/59/64/570215964.db2.gz IJDYKKKSHQMOHN-UHFFFAOYSA-N 1 0 286.213 3.736 50 0 CHAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000011789837 570220588 /nfs/dbraw/zinc/22/05/88/570220588.db2.gz ZBJDYUPPOBSMOV-CRAIPNDOSA-N 1 0 297.446 3.955 50 0 CHAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000011874456 570220623 /nfs/dbraw/zinc/22/06/23/570220623.db2.gz RXGOVWIQFLQKLY-CYBMUJFWSA-N 1 0 277.795 3.787 50 0 CHAARO CCCCCC(=O)Nc1cc(N(C)C)nc2ccccc21 ZINC000013511991 570235924 /nfs/dbraw/zinc/23/59/24/570235924.db2.gz MOGWQKYCKKYTOM-UHFFFAOYSA-N 1 0 285.391 3.820 50 0 CHAARO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCCCCC1 ZINC000072710249 570238182 /nfs/dbraw/zinc/23/81/82/570238182.db2.gz IZJPAHOELBMEGD-LLVKDONJSA-N 1 0 277.393 3.735 50 0 CHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2)on1 ZINC000052008338 570238589 /nfs/dbraw/zinc/23/85/89/570238589.db2.gz MRWIRYKAMJKMDW-OAHLLOKOSA-N 1 0 256.349 3.629 50 0 CHAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1nc(C)ccc1O ZINC000055089810 570240581 /nfs/dbraw/zinc/24/05/81/570240581.db2.gz QLHNNFLAXNHTBU-CYBMUJFWSA-N 1 0 290.432 3.958 50 0 CHAARO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1ccc(Cl)nc1 ZINC000055245049 570241863 /nfs/dbraw/zinc/24/18/63/570241863.db2.gz MUUHWCIPLGKCDS-CYBMUJFWSA-N 1 0 289.810 3.931 50 0 CHAARO Cc1ccc(-c2ccccc2CC[NH3+])c2cccnc12 ZINC000067447376 570246319 /nfs/dbraw/zinc/24/63/19/570246319.db2.gz DSYZMEDVDKZAPR-UHFFFAOYSA-N 1 0 262.356 3.711 50 0 CHAARO C[C@@H](CC[N@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000002497756 570277621 /nfs/dbraw/zinc/27/76/21/570277621.db2.gz FTKVQIKBBWRAIS-KRWDZBQOSA-N 1 0 283.415 3.675 50 0 CHAARO CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000013940352 570285235 /nfs/dbraw/zinc/28/52/35/570285235.db2.gz VQUZMEVMJDTHHJ-UHFFFAOYSA-N 1 0 285.387 3.726 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000014201951 570287096 /nfs/dbraw/zinc/28/70/96/570287096.db2.gz DZOKHJLSFKOOIC-OGHNNQOOSA-N 1 0 274.408 3.559 50 0 CHAARO Cc1ccccc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000215532924 570303301 /nfs/dbraw/zinc/30/33/01/570303301.db2.gz YKOLNKUKIPMKQX-KRWDZBQOSA-N 1 0 266.388 3.770 50 0 CHAARO Cc1ccc2ncccc2c1C[N@@H+](C)C1CCSCC1 ZINC000216511709 570305479 /nfs/dbraw/zinc/30/54/79/570305479.db2.gz WFCRQYUNTIJGMX-UHFFFAOYSA-N 1 0 286.444 3.871 50 0 CHAARO c1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000021519377 570305817 /nfs/dbraw/zinc/30/58/17/570305817.db2.gz ZEFJPCVKTSXIAY-LJQANCHMSA-N 1 0 280.415 3.613 50 0 CHAARO c1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000021519376 570305897 /nfs/dbraw/zinc/30/58/97/570305897.db2.gz ZEFJPCVKTSXIAY-IBGZPJMESA-N 1 0 280.415 3.613 50 0 CHAARO C[n+]1cccc([C@@H]2O[C@@H]3CCCC[C@@H]3C3=CCCC[C@@H]32)c1 ZINC000229822766 570337996 /nfs/dbraw/zinc/33/79/96/570337996.db2.gz RSUINDYISXUKNH-HCXYKTFWSA-N 1 0 284.423 3.868 50 0 biogenic CHAARO CNC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 ZINC000074230034 570338234 /nfs/dbraw/zinc/33/82/34/570338234.db2.gz NMLIOAFOYQHIOH-GOSISDBHSA-N 1 0 296.414 3.533 50 0 CHAARO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000075568151 570356426 /nfs/dbraw/zinc/35/64/26/570356426.db2.gz VRBLMNFODMQROW-XLIONFOSSA-N 1 0 294.442 3.654 50 0 CHAARO COc1cccc(-c2oncc2C[NH+]2CCC(C)CC2)c1 ZINC000065288913 570361855 /nfs/dbraw/zinc/36/18/55/570361855.db2.gz CFXGCXSTQOUQNJ-UHFFFAOYSA-N 1 0 286.375 3.582 50 0 CHAARO OC1CCC([NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000090799909 570371029 /nfs/dbraw/zinc/37/10/29/570371029.db2.gz GCMRMPVCTKPUOA-MGULZYLOSA-N 1 0 297.851 3.770 50 0 CHAARO CC(C)n1cc(C(=O)c2ccnc(Cl)c2)c2c[nH+]ccc21 ZINC000223466572 570379724 /nfs/dbraw/zinc/37/97/24/570379724.db2.gz UBZIMRJOEPUAGN-UHFFFAOYSA-N 1 0 299.761 3.897 50 0 CHAARO Cc1ccc2c(C[N@H+]3CCCC[C@@H]3C)cc(=O)oc2c1C ZINC000002355063 570390243 /nfs/dbraw/zinc/39/02/43/570390243.db2.gz MEUUBMIEFPFTSQ-ZDUSSCGKSA-N 1 0 285.387 3.784 50 0 CHAARO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](C)C3)o2)cc1 ZINC000041362702 570403449 /nfs/dbraw/zinc/40/34/49/570403449.db2.gz IKLSHRACBSYAMG-CYBMUJFWSA-N 1 0 286.375 3.582 50 0 CHAARO CC[C@H](CCO)[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000077452803 570405354 /nfs/dbraw/zinc/40/53/54/570405354.db2.gz MNFUDVXKVZVBME-CYBMUJFWSA-N 1 0 291.366 3.645 50 0 CHAARO CC[N@H+](Cc1cccc(-c2ccco2)c1)[C@@H](C)CCO ZINC000952968035 615067930 /nfs/dbraw/zinc/06/79/30/615067930.db2.gz NRCWVAMDIRXQJR-AWEZNQCLSA-N 1 0 273.376 3.539 50 0 CHAARO Cc1ccc(C)c(OCCCC[NH+]2CCCC2)c1C ZINC000006189975 1121040281 /nfs/dbraw/zinc/04/02/81/1121040281.db2.gz FDCQGXRMYNNDMW-UHFFFAOYSA-N 1 0 261.409 3.867 50 0 CHAARO Cc1cc(C)cc([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)c1 ZINC000089556062 1129239536 /nfs/dbraw/zinc/23/95/36/1129239536.db2.gz FIUKGPAPFGSGTC-CQSZACIVSA-N 1 0 287.407 3.703 50 0 CHAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1sccc1C ZINC000055325618 1125658693 /nfs/dbraw/zinc/65/86/93/1125658693.db2.gz WLZWOGXWZWZGGG-AWEZNQCLSA-N 1 0 295.473 3.891 50 0 CHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C3CC3)CCC2)o1 ZINC000127586573 1127661958 /nfs/dbraw/zinc/66/19/58/1127661958.db2.gz JYBGZQAOOHWOIE-UHFFFAOYSA-N 1 0 285.391 3.648 50 0 CHAARO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000863982471 1128709894 /nfs/dbraw/zinc/70/98/94/1128709894.db2.gz OCPLAMBIZVCFPT-NSHDSACASA-N 1 0 290.432 3.530 50 0 CHAARO COCCC1(C[NH2+]Cc2cnn(C(C)C)c2)CCCCC1 ZINC000185228911 1117793909 /nfs/dbraw/zinc/79/39/09/1117793909.db2.gz GMEJENFQWMHTEN-UHFFFAOYSA-N 1 0 293.455 3.541 50 0 CHAARO CC(C)[NH2+]Cc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000050479156 1118502358 /nfs/dbraw/zinc/50/23/58/1118502358.db2.gz JNMPEAHVXAVAGV-UHFFFAOYSA-N 1 0 283.297 3.594 50 0 CHAARO CC[NH+](CC)CCCCOc1ccccc1Cl ZINC000002494145 1118572650 /nfs/dbraw/zinc/57/26/50/1118572650.db2.gz MQOJVTQCTFDEET-UHFFFAOYSA-N 1 0 255.789 3.841 50 0 CHAARO C[C@H](CCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000002499130 1118575169 /nfs/dbraw/zinc/57/51/69/1118575169.db2.gz DHYMXXSQTLBQRF-GOSISDBHSA-N 1 0 294.442 3.830 50 0 CHAARO CN1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000002498818 1118575181 /nfs/dbraw/zinc/57/51/81/1118575181.db2.gz HYYKSDDCUIGJTB-FQEVSTJZSA-N 1 0 294.442 3.654 50 0 CHAARO C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000023114821 1119260673 /nfs/dbraw/zinc/26/06/73/1119260673.db2.gz ZBUQDYOUDXYFBP-HZPDHXFCSA-N 1 0 281.399 3.963 50 0 CHAARO c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)co1 ZINC000003109300 1119618133 /nfs/dbraw/zinc/61/81/33/1119618133.db2.gz AHXBXBOEHHTUFY-UHFFFAOYSA-N 1 0 255.361 3.734 50 0 CHAARO CCOC(=O)CCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000095468492 1119741513 /nfs/dbraw/zinc/74/15/13/1119741513.db2.gz SMNGSEFKXHXZFE-GZKZCVOOSA-N 1 0 287.403 3.508 50 0 CHAARO C[C@@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)C1CC1 ZINC000177213405 1119779028 /nfs/dbraw/zinc/77/90/28/1119779028.db2.gz BXQPZVJMXOJMKC-GFCCVEGCSA-N 1 0 286.350 3.901 50 0 CHAARO CCC[NH2+][C@@H]1CCCc2c3cc(OC)ccc3[nH]c21 ZINC000087817067 1120218715 /nfs/dbraw/zinc/21/87/15/1120218715.db2.gz OWTZPXKIPLSZQD-OAHLLOKOSA-N 1 0 258.365 3.554 50 0 CHAARO Cc1cc(F)ccc1C[NH+]1CCC(c2ncco2)CC1 ZINC000585136632 1120532627 /nfs/dbraw/zinc/53/26/27/1120532627.db2.gz NRPGJSCNLQRIOZ-UHFFFAOYSA-N 1 0 274.339 3.502 50 0 CHAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000047719484 1120794286 /nfs/dbraw/zinc/79/42/86/1120794286.db2.gz IGNFKJLEDYCVNJ-UHFFFAOYSA-N 1 0 288.416 3.777 50 0 CHAARO c1sc2ccccc2c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000047848622 1120797430 /nfs/dbraw/zinc/79/74/30/1120797430.db2.gz ZLHJVPIQJYYSEJ-HNNXBMFYSA-N 1 0 295.407 3.995 50 0 CHAARO CC[C@H]1C[N@H+](CC(C)(C)C)Cc2cc(OC)ccc2O1 ZINC000012452643 1121027601 /nfs/dbraw/zinc/02/76/01/1121027601.db2.gz KVWVCYXRKKLTJR-AWEZNQCLSA-N 1 0 277.408 3.714 50 0 CHAARO CCc1nc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cs1 ZINC000069894801 1121246446 /nfs/dbraw/zinc/24/64/46/1121246446.db2.gz NSUDKSAMLPPYFW-AWEZNQCLSA-N 1 0 272.417 3.695 50 0 CHAARO Cc1nc[nH]c1C[N@@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000252483622 1121652459 /nfs/dbraw/zinc/65/24/59/1121652459.db2.gz FGBRZNVOELCIQZ-KRWDZBQOSA-N 1 0 287.382 3.975 50 0 CHAARO CC(C)CC1(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)CCC1 ZINC000821011666 1121916314 /nfs/dbraw/zinc/91/63/14/1121916314.db2.gz IFFFUIVJUMBVOP-MRXNPFEDSA-N 1 0 294.483 3.584 50 0 CHAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)[C@H]1CC12CCC2 ZINC000827701495 1129362837 /nfs/dbraw/zinc/36/28/37/1129362837.db2.gz AAAHPEXJKFODLR-MRXNPFEDSA-N 1 0 298.430 3.801 50 0 CHAARO [NH3+][C@@H](C1CCCCCC1)C1(O)CCCCCCC1 ZINC000958528175 1129530960 /nfs/dbraw/zinc/53/09/60/1129530960.db2.gz KRKKBOWSWFCMRW-HNNXBMFYSA-N 1 0 253.430 3.760 50 0 CHAARO Fc1cccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000000183859 1129730886 /nfs/dbraw/zinc/73/08/86/1129730886.db2.gz AHYWCLBRUNGTBG-QGZVFWFLSA-N 1 0 270.351 3.948 50 0 CHAARO C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000000213965 1129736447 /nfs/dbraw/zinc/73/64/47/1129736447.db2.gz WNLHYHOITGLYJS-ACBHZAAOSA-N 1 0 286.463 3.787 50 0 CHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1cc[nH]c(=O)c1 ZINC000658024542 1130675658 /nfs/dbraw/zinc/67/56/58/1130675658.db2.gz YKXVFDCFNRSLQF-ZJUUUORDSA-N 1 0 293.317 3.532 50 0 CHAARO CC[N@H+](Cc1cc(C(C)C)c(OC)cc1C)[C@@H](C)CCO ZINC000952860049 1132014352 /nfs/dbraw/zinc/01/43/52/1132014352.db2.gz AYMKMRZGYRYTAY-HNNXBMFYSA-N 1 0 293.451 3.720 50 0 CHAARO COc1cc([C@@H](C)[NH2+]C2CC(c3ccccc3C)C2)ccn1 ZINC000952845721 1132015015 /nfs/dbraw/zinc/01/50/15/1132015015.db2.gz KIKJDUIKFIYIEB-ODIFPOPNSA-N 1 0 296.414 3.995 50 0 CHAARO c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CSCCSC1 ZINC000952960566 1132016365 /nfs/dbraw/zinc/01/63/65/1132016365.db2.gz VJXPPBFSAYMRNI-HNNXBMFYSA-N 1 0 279.474 3.502 50 0 CHAARO C[C@H]([NH2+]Cc1cc(F)ccc1-n1cccn1)C1=CCCCC1 ZINC000952976518 1132017624 /nfs/dbraw/zinc/01/76/24/1132017624.db2.gz SMBDTUMCGRUZKU-AWEZNQCLSA-N 1 0 299.393 3.990 50 0 CHAARO CC1(C[NH2+][C@H](c2ccco2)c2ccccc2)CCOCC1 ZINC000230396162 1132491394 /nfs/dbraw/zinc/49/13/94/1132491394.db2.gz IXCLNJZQFPRADU-KRWDZBQOSA-N 1 0 285.387 3.775 50 0 CHAARO CC[N@@H+]1CCCC[C@@H]1CNc1ccc2ccccc2n1 ZINC000301557743 1134479453 /nfs/dbraw/zinc/47/94/53/1134479453.db2.gz SSEINECACMDEMO-OAHLLOKOSA-N 1 0 269.392 3.521 50 0 CHAARO COCC1(CNc2cc(C)c3ccccc3n2)CCC1 ZINC000312492625 1135134353 /nfs/dbraw/zinc/13/43/53/1135134353.db2.gz KHJVQVPWJMFWKS-UHFFFAOYSA-N 1 0 270.376 3.772 50 0 CHAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000095941253 185036158 /nfs/dbraw/zinc/03/61/58/185036158.db2.gz UTDUOJLPLQSION-GFCCVEGCSA-N 1 0 290.407 3.922 50 0 CHAARO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000095968124 185046951 /nfs/dbraw/zinc/04/69/51/185046951.db2.gz AJWXTGBRHMKPDP-ZMZPIMSZSA-N 1 0 287.856 3.538 50 0 CHAARO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000095968954 185047533 /nfs/dbraw/zinc/04/75/33/185047533.db2.gz NYDHJPKWLPNRSI-GJZGRUSLSA-N 1 0 286.419 3.837 50 0 CHAARO CC1(C)[C@H]([NH2+]CCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000096009131 185063519 /nfs/dbraw/zinc/06/35/19/185063519.db2.gz FTXAAYUKEPUHMN-QZTJIDSGSA-N 1 0 280.415 3.796 50 0 CHAARO CN1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1 ZINC000096028206 185067120 /nfs/dbraw/zinc/06/71/20/185067120.db2.gz CENKYMQRVLVTLY-GOSISDBHSA-N 1 0 262.356 3.745 50 0 CHAARO c1cncc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c1 ZINC000097000858 185149714 /nfs/dbraw/zinc/14/97/14/185149714.db2.gz HMPDMIAXXZMTHT-KRWDZBQOSA-N 1 0 267.376 3.594 50 0 CHAARO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cncn2C2CC2)C1 ZINC000091452327 180159506 /nfs/dbraw/zinc/15/95/06/180159506.db2.gz RENXEIQYHBOICP-LJQANCHMSA-N 1 0 295.430 3.772 50 0 CHAARO C[C@@H]([NH2+]C1CCOCC1)c1ccc(OC(C)(C)C)cc1 ZINC000156811677 188282873 /nfs/dbraw/zinc/28/28/73/188282873.db2.gz OMHSPALZVJDCKR-CYBMUJFWSA-N 1 0 277.408 3.694 50 0 CHAARO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000225672723 189761360 /nfs/dbraw/zinc/76/13/60/189761360.db2.gz SDJRMRJBRZFRJZ-KRWDZBQOSA-N 1 0 287.378 3.675 50 0 CHAARO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H]2CCCO[C@H]21 ZINC000230153510 189806520 /nfs/dbraw/zinc/80/65/20/189806520.db2.gz OFROQGZJFGOMIK-KBAYOESNSA-N 1 0 298.430 3.504 50 0 CHAARO CCOC(=O)c1ccc2scc(C[NH+](CC)CC)c2c1 ZINC000000339172 169610932 /nfs/dbraw/zinc/61/09/32/169610932.db2.gz JKDFQDKVCOJUSD-UHFFFAOYSA-N 1 0 291.416 3.920 50 0 CHAARO O=C(C[C@H]1C=CCC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000048314212 184564430 /nfs/dbraw/zinc/56/44/30/184564430.db2.gz FULGSUWOZWHCCX-INIZCTEOSA-N 1 0 298.430 3.967 50 0 CHAARO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1F ZINC000097017100 533002012 /nfs/dbraw/zinc/00/20/12/533002012.db2.gz LKPGHFLGVDDJQP-MNOVXSKESA-N 1 0 293.411 3.693 50 0 CHAARO CCC[C@H]([NH2+]CC(C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000002495697 169795525 /nfs/dbraw/zinc/79/55/25/169795525.db2.gz MXNCAQDYAWMWQF-INIZCTEOSA-N 1 0 290.451 3.965 50 0 CHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccccc1F ZINC000002515076 169798118 /nfs/dbraw/zinc/79/81/18/169798118.db2.gz ICWBFZHQCQGCFU-UHFFFAOYSA-N 1 0 283.346 3.653 50 0 CHAARO COc1ccccc1CC[NH2+][C@H](C)CCc1ccccc1 ZINC000002894090 169842034 /nfs/dbraw/zinc/84/20/34/169842034.db2.gz MZJVROWQWQSLFB-MRXNPFEDSA-N 1 0 283.415 3.849 50 0 CHAARO Cc1cc(Br)ccc1OCCC[NH+]1CCCC1 ZINC000003000798 169848280 /nfs/dbraw/zinc/84/82/80/169848280.db2.gz DIZWMGZOYNAWRI-UHFFFAOYSA-N 1 0 298.224 3.622 50 0 CHAARO CCCC[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000003003812 169849297 /nfs/dbraw/zinc/84/92/97/169849297.db2.gz DMKSFJGTKVQNJF-UHFFFAOYSA-N 1 0 262.180 3.762 50 0 CHAARO CCC[NH+](CCC)[C@@H]1CCc2cccc(OC)c2C1 ZINC000003650260 169905881 /nfs/dbraw/zinc/90/58/81/169905881.db2.gz SPOMVKJPPZWHRF-OAHLLOKOSA-N 1 0 261.409 3.675 50 0 in-vitro CHAARO Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000004744719 170010701 /nfs/dbraw/zinc/01/07/01/170010701.db2.gz PZFJVVRWNVRPQM-OKILXGFUSA-N 1 0 288.435 3.610 50 0 CHAARO CCOc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1 ZINC000004842593 170029031 /nfs/dbraw/zinc/02/90/31/170029031.db2.gz VAIPLNDPGWDLDW-UHFFFAOYSA-N 1 0 255.361 3.684 50 0 CHAARO Cc1ccc(C)c(OCC[NH2+]Cc2ccco2)c1Cl ZINC000004842738 170029090 /nfs/dbraw/zinc/02/90/90/170029090.db2.gz IUBNIZAOZYOIGV-UHFFFAOYSA-N 1 0 279.767 3.718 50 0 CHAARO CC[C@@H](C)[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000004914002 170040631 /nfs/dbraw/zinc/04/06/31/170040631.db2.gz LNLAZEVSEAUBNM-SECBINFHSA-N 1 0 262.180 3.760 50 0 CHAARO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(C)c1)CC2 ZINC000004978337 170048056 /nfs/dbraw/zinc/04/80/56/170048056.db2.gz BDRWQIOLHJMICH-UHFFFAOYSA-N 1 0 297.398 3.571 50 0 CHAARO COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC000004988922 170050067 /nfs/dbraw/zinc/05/00/67/170050067.db2.gz SOPHUYPTIQHZET-LLVKDONJSA-N 1 0 298.224 3.690 50 0 CHAARO COc1ccccc1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000004989331 170050119 /nfs/dbraw/zinc/05/01/19/170050119.db2.gz FDGNHKBMZDOCJA-UHFFFAOYSA-N 1 0 285.431 3.652 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000004989371 170050123 /nfs/dbraw/zinc/05/01/23/170050123.db2.gz JKGBOWFDMJUQFV-AWEZNQCLSA-N 1 0 261.409 3.939 50 0 CHAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1ccccc1 ZINC000004989406 170050158 /nfs/dbraw/zinc/05/01/58/170050158.db2.gz WEAKRFXMTSDHLY-HNNXBMFYSA-N 1 0 269.388 3.546 50 0 CHAARO COc1ccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)cc1 ZINC000004989176 170050286 /nfs/dbraw/zinc/05/02/86/170050286.db2.gz NNMMPDICVJXSJB-CQSZACIVSA-N 1 0 285.387 3.512 50 0 CHAARO Cc1cc(OCCC[NH+]2CCCC2)cc(C)c1Cl ZINC000004997425 170052003 /nfs/dbraw/zinc/05/20/03/170052003.db2.gz YVZBNBMDEMBLIA-UHFFFAOYSA-N 1 0 267.800 3.822 50 0 CHAARO Cc1ccc(-c2ccc(C[NH2+]C(C)(C)CO)o2)cc1Cl ZINC000004999756 170052558 /nfs/dbraw/zinc/05/25/58/170052558.db2.gz WQRNEDDRSWAHKA-UHFFFAOYSA-N 1 0 293.794 3.769 50 0 CHAARO Clc1ccc(Cl)c(OCC[NH+]2CCCCC2)c1 ZINC000005028643 170057818 /nfs/dbraw/zinc/05/78/18/170057818.db2.gz MEQBCCSQJVPJNR-UHFFFAOYSA-N 1 0 274.191 3.858 50 0 CHAARO Cc1ccc2[nH]c(Cc3ccc4nc(N)sc4c3)nc2c1 ZINC000005446363 170099676 /nfs/dbraw/zinc/09/96/76/170099676.db2.gz BYYFQKHBZZUPOM-UHFFFAOYSA-N 1 0 294.383 3.654 50 0 CHAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccs1 ZINC000005770530 170138925 /nfs/dbraw/zinc/13/89/25/170138925.db2.gz ZJCFMUMGKTWOHU-UHFFFAOYSA-N 1 0 286.400 3.596 50 0 CHAARO CCCCCCOc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC000006203384 170182429 /nfs/dbraw/zinc/18/24/29/170182429.db2.gz WDKRRLOQDUKDIJ-UHFFFAOYSA-N 1 0 277.408 3.780 50 0 CHAARO c1ccc(C[NH+]2CCC3(CNc4ccccc43)CC2)cc1 ZINC000006276833 170187784 /nfs/dbraw/zinc/18/77/84/170187784.db2.gz OFCNNQTXJKPKSI-UHFFFAOYSA-N 1 0 278.399 3.646 50 0 CHAARO CCOc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000006697141 170226969 /nfs/dbraw/zinc/22/69/69/170226969.db2.gz SMDLDFXTXZOCOF-UHFFFAOYSA-N 1 0 285.387 3.692 50 0 CHAARO CCn1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21 ZINC000006719019 170231791 /nfs/dbraw/zinc/23/17/91/170231791.db2.gz XIFKTOYPLJGFQB-UHFFFAOYSA-N 1 0 263.364 3.656 50 0 CHAARO COc1ccc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000006729322 170234365 /nfs/dbraw/zinc/23/43/65/170234365.db2.gz DHFZHHQYSSMNAZ-UHFFFAOYSA-N 1 0 253.773 3.771 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000007781793 170302103 /nfs/dbraw/zinc/30/21/03/170302103.db2.gz XNCYUWBPMNLQLB-CQSZACIVSA-N 1 0 284.403 3.924 50 0 CHAARO CC(C)(C)[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000007990223 170312432 /nfs/dbraw/zinc/31/24/32/170312432.db2.gz AZSIORXRELOTTR-UHFFFAOYSA-N 1 0 282.387 3.680 50 0 CHAARO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000008142709 170321305 /nfs/dbraw/zinc/32/13/05/170321305.db2.gz RLVQLZXINSMGIX-AAEUAGOBSA-N 1 0 294.826 3.707 50 0 CHAARO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000008325281 170331517 /nfs/dbraw/zinc/33/15/17/170331517.db2.gz MRVPCJNRVNUKKG-CQSZACIVSA-N 1 0 255.361 3.936 50 0 CHAARO C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008377389 170333840 /nfs/dbraw/zinc/33/38/40/170333840.db2.gz JOIXQIIZKJKWJP-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO CCCC[N@H+](C)Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008700874 170346615 /nfs/dbraw/zinc/34/66/15/170346615.db2.gz CBMTVUUEZSXROF-UHFFFAOYSA-N 1 0 272.392 3.789 50 0 biogenic CHAARO CC(C)[C@@H](CC[NH2+]Cc1cccnc1)c1ccco1 ZINC000008990949 170360654 /nfs/dbraw/zinc/36/06/54/170360654.db2.gz MWYIOJHPPUWWDW-OAHLLOKOSA-N 1 0 258.365 3.594 50 0 CHAARO CCc1cccc2c(=O)c(C[NH+](CC)CC)c(C)[nH]c12 ZINC000009833121 170386520 /nfs/dbraw/zinc/38/65/20/170386520.db2.gz PBSVTZQZFYESAO-UHFFFAOYSA-N 1 0 272.392 3.653 50 0 CHAARO CCOc1ccccc1OC/C=C/C[N@@H+]1CCC[C@H](C)C1 ZINC000016624019 170706472 /nfs/dbraw/zinc/70/64/72/170706472.db2.gz ONOGONBMDGSOEO-MOEXGYKKSA-N 1 0 289.419 3.752 50 0 CHAARO CCN(CC[NH+](CC)CC)Cc1ccc(SC)cc1 ZINC000019637464 170833279 /nfs/dbraw/zinc/83/32/79/170833279.db2.gz ODPFCIPHXVBCRH-UHFFFAOYSA-N 1 0 280.481 3.572 50 0 CHAARO COc1cc(C)c(C[NH2+]CCc2cccc(F)c2)cc1C ZINC000019721001 170843539 /nfs/dbraw/zinc/84/35/39/170843539.db2.gz ZDQMHKXQBVBCIO-UHFFFAOYSA-N 1 0 287.378 3.783 50 0 CHAARO C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000020204809 171070269 /nfs/dbraw/zinc/07/02/69/171070269.db2.gz SOWNVMIIOILURD-KGLIPLIRSA-N 1 0 255.446 3.875 50 0 CHAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000020204806 171070282 /nfs/dbraw/zinc/07/02/82/171070282.db2.gz SOWNVMIIOILURD-KBPBESRZSA-N 1 0 255.446 3.875 50 0 CHAARO CC(C)[C@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000020305451 171141541 /nfs/dbraw/zinc/14/15/41/171141541.db2.gz XZFXDIXPMXGVHK-VIFPVBQESA-N 1 0 274.177 3.722 50 0 CHAARO c1ccc2c(c1)CC[N@@H+](CCOc1ccc3c(c1)CCC3)C2 ZINC000020323834 171150635 /nfs/dbraw/zinc/15/06/35/171150635.db2.gz IVGAOVKJDHNSMC-UHFFFAOYSA-N 1 0 293.410 3.612 50 0 CHAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000020453045 171208273 /nfs/dbraw/zinc/20/82/73/171208273.db2.gz VKIFRHJNCNERMG-GOEBONIOSA-N 1 0 273.424 3.508 50 0 CHAARO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)cc1 ZINC000020454274 171208323 /nfs/dbraw/zinc/20/83/23/171208323.db2.gz DESUOOVDXCMDOW-UONOGXRCSA-N 1 0 287.407 3.783 50 0 CHAARO Cc1cc(OCCC2CC[NH2+]CC2)ccc1C(C)C ZINC000020593598 171263035 /nfs/dbraw/zinc/26/30/35/171263035.db2.gz ODKQELDSGSBWQU-UHFFFAOYSA-N 1 0 261.409 3.887 50 0 CHAARO COc1ccc(C[NH2+]Cc2cccs2)cc1Cl ZINC000020927928 171280328 /nfs/dbraw/zinc/28/03/28/171280328.db2.gz PILBRPUXFLUIML-UHFFFAOYSA-N 1 0 267.781 3.700 50 0 CHAARO Cc1ccc(-c2nc3ccc(C)cn3c2C[NH+](C)C)cc1 ZINC000022011912 171349227 /nfs/dbraw/zinc/34/92/27/171349227.db2.gz ZKSRNGXLVCJQCC-UHFFFAOYSA-N 1 0 279.387 3.680 50 0 CHAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000030641035 171620045 /nfs/dbraw/zinc/62/00/45/171620045.db2.gz WZIGLMVFPDPIPH-GFCCVEGCSA-N 1 0 288.416 3.947 50 0 CHAARO c1ccc(COc2cccc([C@H]3[NH2+]CCS3)c2)cc1 ZINC000035505008 172238661 /nfs/dbraw/zinc/23/86/61/172238661.db2.gz SDHXREBBMPUELS-INIZCTEOSA-N 1 0 271.385 3.601 50 0 CHAARO [NH3+]Cc1ccc(OCCSc2ccc(Cl)cc2)cc1 ZINC000035722520 172378148 /nfs/dbraw/zinc/37/81/48/172378148.db2.gz MDMWKZRRRKYPPV-UHFFFAOYSA-N 1 0 293.819 3.970 50 0 CHAARO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000037321145 173121886 /nfs/dbraw/zinc/12/18/86/173121886.db2.gz QTVQWACWDSTERV-GJZGRUSLSA-N 1 0 287.428 3.808 50 0 CHAARO CC(C)C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000038095570 174109434 /nfs/dbraw/zinc/10/94/34/174109434.db2.gz DONACSAWZIPZOL-SJORKVTESA-N 1 0 261.409 3.933 50 0 CHAARO COc1ccc(OC)c(C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000040051440 174184851 /nfs/dbraw/zinc/18/48/51/174184851.db2.gz IVQNBTXJWORFBM-UHFFFAOYSA-N 1 0 297.398 3.868 50 0 CHAARO CC(C)C[N@H+](Cc1ncc(-c2ccccc2)o1)C1CC1 ZINC000040063290 174185706 /nfs/dbraw/zinc/18/57/06/174185706.db2.gz WSPIPOUPHUIESS-UHFFFAOYSA-N 1 0 270.376 3.962 50 0 CHAARO CC(C)(C)C[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000040175457 174200962 /nfs/dbraw/zinc/20/09/62/174200962.db2.gz RUWFXOINQANLGF-KRWDZBQOSA-N 1 0 274.452 3.849 50 0 CHAARO Clc1ccc(COCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042771828 174871325 /nfs/dbraw/zinc/87/13/25/174871325.db2.gz BKAPOHXRFFETFZ-LLVKDONJSA-N 1 0 288.218 3.900 50 0 CHAARO Brc1ccc(SCC2CC[NH2+]CC2)cc1 ZINC000043498192 175058277 /nfs/dbraw/zinc/05/82/77/175058277.db2.gz NVDLWIIJFGTPEY-UHFFFAOYSA-N 1 0 286.238 3.541 50 0 CHAARO c1ccc2sc(SC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000043495212 175058305 /nfs/dbraw/zinc/05/83/05/175058305.db2.gz DECPXOQQKFMPGP-SNVBAGLBSA-N 1 0 264.419 3.531 50 0 CHAARO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000071375745 176140673 /nfs/dbraw/zinc/14/06/73/176140673.db2.gz FVPHJTSCSHHWMC-INIZCTEOSA-N 1 0 294.398 3.634 50 0 CHAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000071857584 176278742 /nfs/dbraw/zinc/27/87/42/176278742.db2.gz YENNJJKZVXONQV-CYBMUJFWSA-N 1 0 271.408 3.505 50 0 CHAARO CCOCC[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072129050 176321340 /nfs/dbraw/zinc/32/13/40/176321340.db2.gz STLRMPZKJZXBCS-MRXNPFEDSA-N 1 0 279.399 3.507 50 0 CHAARO FC(F)(F)c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CC2)cc1 ZINC000072274594 176356009 /nfs/dbraw/zinc/35/60/09/176356009.db2.gz MZMBEFHIOIXBJZ-HNNXBMFYSA-N 1 0 299.336 3.849 50 0 CHAARO C[N@@H+](Cc1cc(-c2cccnc2)no1)C[C@@H]1CC=CCC1 ZINC000077287597 177249312 /nfs/dbraw/zinc/24/93/12/177249312.db2.gz XEPPTQCOXBVISK-CQSZACIVSA-N 1 0 283.375 3.525 50 0 CHAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000007787475 260027959 /nfs/dbraw/zinc/02/79/59/260027959.db2.gz KGAQXFONLOFKIA-CABCVRRESA-N 1 0 296.414 3.899 50 0 CHAARO Fc1cc(C[NH2+]C2CCCC2)ccc1Br ZINC000043576938 260188505 /nfs/dbraw/zinc/18/85/05/260188505.db2.gz KPSXHGCFCRATJR-UHFFFAOYSA-N 1 0 272.161 3.620 50 0 CHAARO CCOc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1OC ZINC000023283310 266024186 /nfs/dbraw/zinc/02/41/86/266024186.db2.gz WFGJHTWSAFUEAQ-ZIAGYGMSSA-N 1 0 277.408 3.572 50 0 CHAARO C[C@H](CC(F)(F)F)[NH2+]CCOc1cccc2cccnc21 ZINC000534659148 328341879 /nfs/dbraw/zinc/34/18/79/328341879.db2.gz MPYHMAHXBWJYRI-LLVKDONJSA-N 1 0 298.308 3.544 50 0 CHAARO COc1ccc(C[C@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000023283542 326812880 /nfs/dbraw/zinc/81/28/80/326812880.db2.gz WVYJFHFSAVTSMH-AWEZNQCLSA-N 1 0 287.378 3.598 50 0 CHAARO c1coc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000003684207 333073561 /nfs/dbraw/zinc/07/35/61/333073561.db2.gz NFDDZQQDKVOONI-UHFFFAOYSA-N 1 0 255.361 3.734 50 0 CHAARO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000239287396 523583748 /nfs/dbraw/zinc/58/37/48/523583748.db2.gz CRUFBTYGTDNZMU-GVDBMIGSSA-N 1 0 259.393 3.611 50 0 CHAARO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000004986980 523983260 /nfs/dbraw/zinc/98/32/60/523983260.db2.gz QDHNOLCPGQGJBR-AWEZNQCLSA-N 1 0 287.378 3.945 50 0 CHAARO COc1ccc(C[NH2+]C(C)(C)c2ccc(C)nc2)cc1F ZINC000353182045 524068946 /nfs/dbraw/zinc/06/89/46/524068946.db2.gz NOGGTJUYMVTFOD-UHFFFAOYSA-N 1 0 288.366 3.563 50 0 CHAARO CSc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000019872144 526005139 /nfs/dbraw/zinc/00/51/39/526005139.db2.gz IAOBRCUYXDCAQZ-SUMWQHHRSA-N 1 0 287.428 3.620 50 0 CHAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1F ZINC000096477238 528162330 /nfs/dbraw/zinc/16/23/30/528162330.db2.gz XYWNLUWXDKYXHE-ZDUSSCGKSA-N 1 0 295.398 3.518 50 0 CHAARO Cc1ncc(CSCc2cn3ccccc3n2)s1 ZINC000084495742 566883316 /nfs/dbraw/zinc/88/33/16/566883316.db2.gz OSOIPRQCITWECA-UHFFFAOYSA-N 1 0 275.402 3.533 50 0 CHAARO CC[C@H](C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775048 567892107 /nfs/dbraw/zinc/89/21/07/567892107.db2.gz RDXNLUDUYXGEEU-AAEUAGOBSA-N 1 0 267.800 3.984 50 0 CHAARO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C1CCSCC1 ZINC000237218119 566843364 /nfs/dbraw/zinc/84/33/64/566843364.db2.gz HONFKDCTEQCKPX-GFCCVEGCSA-N 1 0 289.448 3.602 50 0 CHAARO Cc1cc([C@@H]2CCCCN2CCCc2ccco2)no1 ZINC000299795046 566853874 /nfs/dbraw/zinc/85/38/74/566853874.db2.gz KQCQECIBFLDAHY-INIZCTEOSA-N 1 0 274.364 3.736 50 0 CHAARO CCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC)C2)o1 ZINC000299772620 566853999 /nfs/dbraw/zinc/85/39/99/566853999.db2.gz AGKBCSPILYUEJH-AWEZNQCLSA-N 1 0 287.407 3.507 50 0 CHAARO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3CC=CC[C@H]3[C@@H]12 ZINC000004026241 566855514 /nfs/dbraw/zinc/85/55/14/566855514.db2.gz OUQFYCOJMMHQMV-VFVRVIDISA-N 1 0 264.372 3.663 50 0 biogenic CHAARO c1ccc(SCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000004472946 566863494 /nfs/dbraw/zinc/86/34/94/566863494.db2.gz VWQFSNFMGSOQIG-UHFFFAOYSA-N 1 0 269.413 3.837 50 0 CHAARO CCOc1ccccc1OC/C=C/C[N@@H+]1CCC[C@@H](C)C1 ZINC000016624016 566875620 /nfs/dbraw/zinc/87/56/20/566875620.db2.gz ONOGONBMDGSOEO-FYCOFBDGSA-N 1 0 289.419 3.752 50 0 CHAARO CCOc1ccccc1OC/C=C/C[NH+]1CCCCC1 ZINC000016622678 566875883 /nfs/dbraw/zinc/87/58/83/566875883.db2.gz WYKRMLUOWLJQGR-CMDGGOBGSA-N 1 0 275.392 3.506 50 0 CHAARO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCn1ccnc1 ZINC000084656005 566885053 /nfs/dbraw/zinc/88/50/53/566885053.db2.gz ZLOXYIJCGSLCRJ-ZDUSSCGKSA-N 1 0 277.799 3.620 50 0 CHAARO C[C@@H]([NH2+]CCn1cnc2ccccc21)C1CCCCC1 ZINC000084636444 566885495 /nfs/dbraw/zinc/88/54/95/566885495.db2.gz OVMZKSYQDXZVTP-CQSZACIVSA-N 1 0 271.408 3.595 50 0 CHAARO C[C@H]([NH2+]CCc1ccccc1)c1ccccc1-n1cccn1 ZINC000084660906 566885656 /nfs/dbraw/zinc/88/56/56/566885656.db2.gz OSIRJAVGPDFTAE-INIZCTEOSA-N 1 0 291.398 3.766 50 0 CHAARO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccc(Cl)cc1Cl ZINC000191556946 566960665 /nfs/dbraw/zinc/96/06/65/566960665.db2.gz NPKFSJUGZHIWFX-SECBINFHSA-N 1 0 296.201 3.821 50 0 CHAARO CC(C)c1ccc2c(c1)c1c3c([n+](C)ccn23)CCC1 ZINC000000295505 566974501 /nfs/dbraw/zinc/97/45/01/566974501.db2.gz UZFNLQCATPNFKZ-UHFFFAOYSA-N 1 0 265.380 3.529 50 0 biogenic CHAARO Clc1cnccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000075675332 566974950 /nfs/dbraw/zinc/97/49/50/566974950.db2.gz FIHGQVFGNCFHEP-AWEZNQCLSA-N 1 0 272.779 3.725 50 0 CHAARO C[C@H](c1cccc(-c2ncc(Cl)cn2)c1)[NH+]1CCCC1 ZINC000426389490 566989037 /nfs/dbraw/zinc/98/90/37/566989037.db2.gz RVXZQBCBHDVGHH-GFCCVEGCSA-N 1 0 287.794 3.954 50 0 CHAARO CCc1nn(C)cc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000426407710 566989131 /nfs/dbraw/zinc/98/91/31/566989131.db2.gz VTDIXGMAJSMPCP-AWEZNQCLSA-N 1 0 283.419 3.806 50 0 CHAARO CC[C@](C)([NH2+]CC[C@@H]1CCCCO1)c1nc(C)cs1 ZINC000170076832 567005877 /nfs/dbraw/zinc/00/58/77/567005877.db2.gz QQIAVNYMQSXZIM-ZFWWWQNUSA-N 1 0 282.453 3.626 50 0 CHAARO COc1cc2c(c(C[NH2+]C3CCC(C)CC3)c1)O[C@@H](C)C2 ZINC000170620786 567015350 /nfs/dbraw/zinc/01/53/50/567015350.db2.gz LQNOGXNLONSDJV-UYJPIKCFSA-N 1 0 289.419 3.687 50 0 CHAARO CCCOc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000002822839 567036280 /nfs/dbraw/zinc/03/62/80/567036280.db2.gz TXXWLOZCYUANIW-HNNXBMFYSA-N 1 0 277.408 3.586 50 0 CHAARO CCOc1cccc(OCCC[N@H+](C)Cc2ccccc2)c1 ZINC000002822804 567037088 /nfs/dbraw/zinc/03/70/88/567037088.db2.gz SNOUPDGTZLIMRY-UHFFFAOYSA-N 1 0 299.414 3.986 50 0 CHAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)c(Cl)c2)cnn1C ZINC000193733489 567062324 /nfs/dbraw/zinc/06/23/24/567062324.db2.gz LZDZNIFWKJWEKY-LLVKDONJSA-N 1 0 277.799 3.541 50 0 CHAARO C[C@H](Cc1ccnn1C)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000252511753 567063209 /nfs/dbraw/zinc/06/32/09/567063209.db2.gz KILBBCUGZDELIF-QAPCUYQASA-N 1 0 289.467 3.643 50 0 CHAARO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccccc1Cl ZINC000095389745 567127590 /nfs/dbraw/zinc/12/75/90/567127590.db2.gz PVWOAYIOLDHXGL-STQMWFEESA-N 1 0 295.810 3.676 50 0 CHAARO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000095420802 567130597 /nfs/dbraw/zinc/13/05/97/567130597.db2.gz DZACUUNWAHCIER-QWHCGFSZSA-N 1 0 283.375 3.887 50 0 CHAARO Cc1nccn1CCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000095423170 567130745 /nfs/dbraw/zinc/13/07/45/567130745.db2.gz KVFRQPVWYKCCJY-OAHLLOKOSA-N 1 0 271.408 3.631 50 0 CHAARO Cc1cccc(-c2noc(C[NH+](C(C)C)C(C)C)n2)c1 ZINC000095459777 567134517 /nfs/dbraw/zinc/13/45/17/567134517.db2.gz HCJFHYFGIJAOEU-UHFFFAOYSA-N 1 0 273.380 3.664 50 0 CHAARO COCCC1([NH2+]CCSc2ccccc2)CCCC1 ZINC000095454715 567134660 /nfs/dbraw/zinc/13/46/60/567134660.db2.gz YBYOADDORRSWBS-UHFFFAOYSA-N 1 0 279.449 3.718 50 0 CHAARO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000095460377 567134680 /nfs/dbraw/zinc/13/46/80/567134680.db2.gz OHPNIQDMLSLDPM-IFXJQAMLSA-N 1 0 284.447 3.526 50 0 CHAARO C[C@@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)c1nccn1C ZINC000097038232 567144284 /nfs/dbraw/zinc/14/42/84/567144284.db2.gz NGZNXLOSGINMSB-CZUORRHYSA-N 1 0 283.419 3.784 50 0 CHAARO CCCC[C@H](CC)C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000002647023 567151318 /nfs/dbraw/zinc/15/13/18/567151318.db2.gz KYRXGNDXTRQLMI-IRXDYDNUSA-N 1 0 293.451 3.541 50 0 CHAARO c1ccc(COCCC[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000230185087 567159797 /nfs/dbraw/zinc/15/97/97/567159797.db2.gz QTKDBLKBFNDMTE-QZTJIDSGSA-N 1 0 273.420 3.858 50 0 CHAARO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccs2)C2CC2)C12CCC2 ZINC000230223174 567160401 /nfs/dbraw/zinc/16/04/01/567160401.db2.gz PGEDMXQKTUGDRT-MCIONIFRSA-N 1 0 292.448 3.532 50 0 CHAARO CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000029951974 567161408 /nfs/dbraw/zinc/16/14/08/567161408.db2.gz VVOHFVZEJRCXRL-GOSISDBHSA-N 1 0 296.414 3.881 50 0 CHAARO COCC[C@@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000670434626 567164569 /nfs/dbraw/zinc/16/45/69/567164569.db2.gz JCWDPXZLXWWMBW-NSHDSACASA-N 1 0 273.829 3.650 50 0 CHAARO Cc1ccccc1NC(=O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000003339708 567170117 /nfs/dbraw/zinc/17/01/17/567170117.db2.gz LJAADATYVQDVAG-GOSISDBHSA-N 1 0 294.398 3.601 50 0 CHAARO Cc1ccc2c(C[N@H+]3CCC[C@@H](C)C3)cc(=O)oc2c1C ZINC000003564926 567178101 /nfs/dbraw/zinc/17/81/01/567178101.db2.gz KITAMWKRJMWJMU-GFCCVEGCSA-N 1 0 285.387 3.642 50 0 CHAARO C[N@H+](Cc1ccccc1NC(=O)C1CC1)C1CCCCC1 ZINC000069526064 567200743 /nfs/dbraw/zinc/20/07/43/567200743.db2.gz PADVVONFSTVHBS-UHFFFAOYSA-N 1 0 286.419 3.800 50 0 CHAARO CC(C)(C)CC(C)(C)[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC000069529507 567202147 /nfs/dbraw/zinc/20/21/47/567202147.db2.gz NMQZDAOLHFCZJK-UHFFFAOYSA-N 1 0 267.417 3.672 50 0 CHAARO CCCC[NH2+][C@@H]1c2ccccc2C(=O)N1CCC(C)C ZINC000009730667 567204798 /nfs/dbraw/zinc/20/47/98/567204798.db2.gz HUCLMIYAMYOHCF-INIZCTEOSA-N 1 0 274.408 3.577 50 0 CHAARO CNc1ccc(Cl)cc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000000056534 567817174 /nfs/dbraw/zinc/81/71/74/567817174.db2.gz XRUIERQCHYNNEP-MRXNPFEDSA-N 1 0 272.779 3.617 50 0 biogenic CHAARO C[NH+](C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl ZINC000000057253 567817232 /nfs/dbraw/zinc/81/72/32/567817232.db2.gz WRCHFMBCVFFYEQ-QGZVFWFLSA-N 1 0 289.806 3.528 50 0 fda CHAARO Cc1ccc(-c2noc(C[NH+]3[C@H](C)CCC[C@H]3C)n2)cc1 ZINC000000203401 567822002 /nfs/dbraw/zinc/82/20/02/567822002.db2.gz CQUMGLVPEKJJSI-ZIAGYGMSSA-N 1 0 285.391 3.808 50 0 aggregator CHAARO [NH3+]C[C@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000000346943 567825932 /nfs/dbraw/zinc/82/59/32/567825932.db2.gz QCWCAHQGBJXAGH-INIZCTEOSA-N 1 0 255.748 3.914 50 0 CHAARO c1ccc(-c2ccccc2OCCCC2=[NH+]CCN2)cc1 ZINC000002187301 567845285 /nfs/dbraw/zinc/84/52/85/567845285.db2.gz PJZVKROJSJCOQU-UHFFFAOYSA-N 1 0 280.371 3.514 50 0 CHAARO Cc1cc(OCCC[NH+]2CCCCC2)ccc1Cl ZINC000002183532 567845306 /nfs/dbraw/zinc/84/53/06/567845306.db2.gz VBUXTUHTZNFTMG-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO CCOC(=O)N1CC[NH+](CCCCCCC=C(C)C)CC1 ZINC000002494852 567846064 /nfs/dbraw/zinc/84/60/64/567846064.db2.gz PVAOBBKCNGYWLP-UHFFFAOYSA-N 1 0 296.455 3.677 50 0 CHAARO CCc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000002388706 567846071 /nfs/dbraw/zinc/84/60/71/567846071.db2.gz LYMFHONIVZTTIL-UHFFFAOYSA-N 1 0 299.414 3.599 50 0 biogenic CHAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(F)c(F)c1 ZINC000002514923 567846375 /nfs/dbraw/zinc/84/63/75/567846375.db2.gz HSNRDJCPVGIRRM-UHFFFAOYSA-N 1 0 299.320 3.568 50 0 CHAARO COc1ccccc1C(=O)c1ccccc1C[NH+]1CCCC1 ZINC000002515545 567846809 /nfs/dbraw/zinc/84/68/09/567846809.db2.gz UPEUBFRAALBIIO-UHFFFAOYSA-N 1 0 295.382 3.522 50 0 CHAARO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCCC2)cc1 ZINC000002515544 567846861 /nfs/dbraw/zinc/84/68/61/567846861.db2.gz UMADWEQSCMGTCY-UHFFFAOYSA-N 1 0 279.383 3.822 50 0 CHAARO CCCOc1ccc(OCCC[NH2+][C@H](C)CC)cc1 ZINC000002822812 567849480 /nfs/dbraw/zinc/84/94/80/567849480.db2.gz MPHRNRNZAMQDDX-CQSZACIVSA-N 1 0 265.397 3.632 50 0 CHAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(Cl)c(C)c1C ZINC000002823313 567849552 /nfs/dbraw/zinc/84/95/52/567849552.db2.gz SSWTVYLFQUWTFI-LBPRGKRZSA-N 1 0 299.842 3.740 50 0 CHAARO COc1cc(Cl)c(C[NH2+]Cc2ccccc2)cc1OC ZINC000002886420 567850119 /nfs/dbraw/zinc/85/01/19/567850119.db2.gz LERGVIDIYHRLIP-UHFFFAOYSA-N 1 0 291.778 3.647 50 0 CHAARO CCCC[NH2+]CCCOc1ccc(Cl)cc1C ZINC000002931637 567850689 /nfs/dbraw/zinc/85/06/89/567850689.db2.gz GPEZXYBODZYPLD-UHFFFAOYSA-N 1 0 255.789 3.807 50 0 CHAARO CCOc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000003002000 567851473 /nfs/dbraw/zinc/85/14/73/567851473.db2.gz NORFVNWVMVAAPA-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 CHAARO Cc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000003879669 567854229 /nfs/dbraw/zinc/85/42/29/567854229.db2.gz VIGUTVCIMNELKT-UHFFFAOYSA-N 1 0 298.405 3.765 50 0 CHAARO O=C(/C=C/c1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004028732 567855162 /nfs/dbraw/zinc/85/51/62/567855162.db2.gz ZSWODZQPBXFMTI-AAIOHFERSA-N 1 0 299.414 3.508 50 0 biogenic CHAARO CCn1c2ccccc2nc1C[N@H+](C)C1CCCCC1 ZINC000004386062 567857544 /nfs/dbraw/zinc/85/75/44/567857544.db2.gz PQWDSFXZRGXNHV-UHFFFAOYSA-N 1 0 271.408 3.821 50 0 CHAARO Cc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)s1 ZINC000004488628 567857668 /nfs/dbraw/zinc/85/76/68/567857668.db2.gz BSFLOFGZDRPAMP-UHFFFAOYSA-N 1 0 270.401 3.870 50 0 CHAARO Cc1cc(C)c(NC(=O)OC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000004566639 567858173 /nfs/dbraw/zinc/85/81/73/567858173.db2.gz QRGQQZCHPZTODT-HNNXBMFYSA-N 1 0 290.407 3.645 50 0 CHAARO CCOc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000004657558 567858896 /nfs/dbraw/zinc/85/88/96/567858896.db2.gz KGAJNHXOKGXDCT-UHFFFAOYSA-N 1 0 259.324 3.514 50 0 CHAARO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010371868 567861323 /nfs/dbraw/zinc/86/13/23/567861323.db2.gz XYEXCTUOVVILHY-UHFFFAOYSA-N 1 0 294.398 3.843 50 0 CHAARO Clc1ccc(O[C@@H]2CC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000014632293 567869465 /nfs/dbraw/zinc/86/94/65/567869465.db2.gz FDZIEVZAPVOSFO-MRXNPFEDSA-N 1 0 287.790 3.672 50 0 CHAARO COc1ccc(CC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000014988136 567869970 /nfs/dbraw/zinc/86/99/70/567869970.db2.gz WVJFOQPADYCYLI-UHFFFAOYSA-N 1 0 280.371 3.509 50 0 CHAARO C(CC1CCCC1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019221980 567877519 /nfs/dbraw/zinc/87/75/19/567877519.db2.gz FJOZOAVBQUVKAF-QGZVFWFLSA-N 1 0 264.457 3.517 50 0 CHAARO Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000019536770 567878164 /nfs/dbraw/zinc/87/81/64/567878164.db2.gz KCRCSRXSRKWLCT-UHFFFAOYSA-N 1 0 294.442 3.621 50 0 CHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(F)cc1 ZINC000019702289 567878348 /nfs/dbraw/zinc/87/83/48/567878348.db2.gz XQZPTCJTTCSDTJ-KRWDZBQOSA-N 1 0 296.345 3.551 50 0 biogenic CHAARO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000019737860 567878674 /nfs/dbraw/zinc/87/86/74/567878674.db2.gz GOELAECIDCMZCB-GJZGRUSLSA-N 1 0 285.387 3.813 50 0 CHAARO C[C@H](C[NH2+]C[C@H]1CCCO1)Oc1ccc(C(C)(C)C)cc1 ZINC000019737908 567878683 /nfs/dbraw/zinc/87/86/83/567878683.db2.gz SEYDLTAVGGJHPD-RHSMWYFYSA-N 1 0 291.435 3.520 50 0 CHAARO C[NH2+]Cc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000019777078 567879166 /nfs/dbraw/zinc/87/91/66/567879166.db2.gz OIAJATZDPGREMP-UHFFFAOYSA-N 1 0 292.176 3.961 50 0 CHAARO COc1ccc(Cl)cc1C[NH2+]CCc1ccccc1 ZINC000019872393 567879618 /nfs/dbraw/zinc/87/96/18/567879618.db2.gz GTZZDOCZOUOLEG-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO FC(F)(F)Oc1ccccc1C[NH2+]C1CCCC1 ZINC000019883367 567879649 /nfs/dbraw/zinc/87/96/49/567879649.db2.gz PUWYTUBCPGKALJ-UHFFFAOYSA-N 1 0 259.271 3.617 50 0 CHAARO COc1ccc([C@H]([NH3+])c2ccccc2Cl)c(C)c1 ZINC000019972056 567880581 /nfs/dbraw/zinc/88/05/81/567880581.db2.gz YFVMDLXWNUANBF-HNNXBMFYSA-N 1 0 261.752 3.705 50 0 CHAARO Cc1ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000020118710 567880729 /nfs/dbraw/zinc/88/07/29/567880729.db2.gz BSCUWRHXLUUACY-IRXDYDNUSA-N 1 0 291.435 3.572 50 0 CHAARO CCc1ccc(CCC[N@H+](C)Cc2cccnc2)cc1 ZINC000020327186 567880909 /nfs/dbraw/zinc/88/09/09/567880909.db2.gz CZQBIMJGPGUBTH-UHFFFAOYSA-N 1 0 268.404 3.709 50 0 CHAARO O=C(Nc1ccccc1)c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000011011353 567883313 /nfs/dbraw/zinc/88/33/13/567883313.db2.gz MOJVWWSBDRVPDD-UHFFFAOYSA-N 1 0 294.398 3.971 50 0 CHAARO Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1F ZINC000070160141 567884823 /nfs/dbraw/zinc/88/48/23/567884823.db2.gz NFDKKFCQYCEGHD-UHFFFAOYSA-N 1 0 265.278 3.702 50 0 CHAARO CCSCC[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000072305336 567886432 /nfs/dbraw/zinc/88/64/32/567886432.db2.gz RGOAQAJNGJEHEO-AWEZNQCLSA-N 1 0 280.481 3.716 50 0 CHAARO c1cncc([C@@H]2CCCC[N@H+]2Cc2ccc3c(c2)OCO3)c1 ZINC000000366816 567887331 /nfs/dbraw/zinc/88/73/31/567887331.db2.gz CMRZIZXFAXBMRS-INIZCTEOSA-N 1 0 296.370 3.538 50 0 biogenic CHAARO Cc1cc2nc(SCC[NH+]3CCCCC3)[nH]c2cc1C ZINC000000191587 567887384 /nfs/dbraw/zinc/88/73/84/567887384.db2.gz ZXJAPGRYOGTRHW-UHFFFAOYSA-N 1 0 289.448 3.758 50 0 CHAARO CCN(CC)CC[N@H+](CC)CC[C@H](C)c1ccccc1 ZINC000019633342 567887678 /nfs/dbraw/zinc/88/76/78/567887678.db2.gz ZOKXNAGTJJTXKE-KRWDZBQOSA-N 1 0 276.468 3.844 50 0 CHAARO C[C@@H]1C[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000004011824 567888231 /nfs/dbraw/zinc/88/82/31/567888231.db2.gz NVRHPKDNICAHBX-AYOQOUSVSA-N 1 0 281.399 3.587 50 0 CHAARO CCc1ccc(OCCCCCC[NH+]2CCOCC2)cc1 ZINC000023634709 567888825 /nfs/dbraw/zinc/88/88/25/567888825.db2.gz MNMIYOVRWZCBCU-UHFFFAOYSA-N 1 0 291.435 3.520 50 0 CHAARO CCCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000037927311 567890457 /nfs/dbraw/zinc/89/04/57/567890457.db2.gz XETKDVONTKOCAJ-UHFFFAOYSA-N 1 0 276.605 3.992 50 0 CHAARO Cc1ccc(/C(=C/C[NH+]2CCCC2)c2ccccn2)cc1 ZINC000000002227 567890516 /nfs/dbraw/zinc/89/05/16/567890516.db2.gz CBEQULMOCCWAQT-WQRHYEAKSA-N 1 0 278.399 3.918 50 0 in-vitro CHAARO Cc1cc(OCC[C@@H]2CCC[NH2+]C2)ccc1C(C)C ZINC000042773549 567891574 /nfs/dbraw/zinc/89/15/74/567891574.db2.gz SBHYWGQUQVYITJ-HNNXBMFYSA-N 1 0 261.409 3.887 50 0 CHAARO Cc1cc(OCC[C@H]2CCCC[NH2+]2)ccc1Br ZINC000042770613 567891621 /nfs/dbraw/zinc/89/16/21/567891621.db2.gz WYWKTLXEKLMNLA-GFCCVEGCSA-N 1 0 298.224 3.669 50 0 CHAARO CC[C@@H](C)c1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772475 567891668 /nfs/dbraw/zinc/89/16/68/567891668.db2.gz XYFBXOLZRMMDCB-CABCVRRESA-N 1 0 261.409 3.969 50 0 CHAARO CC(C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770512 567891698 /nfs/dbraw/zinc/89/16/98/567891698.db2.gz VYIAAOFQHSLVGP-LLVKDONJSA-N 1 0 298.224 3.561 50 0 CHAARO CC[C@@H](C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042770834 567891704 /nfs/dbraw/zinc/89/17/04/567891704.db2.gz NVBHDMFJYNJPOP-VXGBXAGGSA-N 1 0 267.800 3.842 50 0 CHAARO CCC[N@H+](Cc1cnc[nH]1)Cc1ccc(SC)cc1 ZINC000055576110 567894410 /nfs/dbraw/zinc/89/44/10/567894410.db2.gz FXYNZHBRXBVYDM-UHFFFAOYSA-N 1 0 275.421 3.544 50 0 CHAARO CCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000060370064 567894768 /nfs/dbraw/zinc/89/47/68/567894768.db2.gz XKIQEGNQSHLZKL-CQSZACIVSA-N 1 0 271.364 3.674 50 0 CHAARO Cc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000058474457 567895869 /nfs/dbraw/zinc/89/58/69/567895869.db2.gz XPNRDFRFARTREO-UHFFFAOYSA-N 1 0 250.345 3.766 50 0 CHAARO COc1cc(OC)cc(-c2cccc([C@@H](C)[NH+](C)C)c2)c1 ZINC000065408578 567898920 /nfs/dbraw/zinc/89/89/20/567898920.db2.gz HHUZQZJSDWZWKH-CYBMUJFWSA-N 1 0 285.387 3.993 50 0 CHAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)n1 ZINC000065435942 567898958 /nfs/dbraw/zinc/89/89/58/567898958.db2.gz XBBHMHKTUFGFCD-INIZCTEOSA-N 1 0 295.386 3.693 50 0 CHAARO COC(=O)c1cccc(-c2ccc([C@H](C)[NH+](C)C)cc2)c1 ZINC000065423481 567899056 /nfs/dbraw/zinc/89/90/56/567899056.db2.gz VVZQRUHRHAUSCN-ZDUSSCGKSA-N 1 0 283.371 3.763 50 0 CHAARO c1cc2cc(-c3ccccc3C[NH+]3CCOCC3)ccc2o1 ZINC000065496149 567899466 /nfs/dbraw/zinc/89/94/66/567899466.db2.gz AWBJNXOBEORSCG-UHFFFAOYSA-N 1 0 293.366 3.932 50 0 CHAARO CCC[C@H](Cn1cnc(-c2ccccc2)c1C)[NH+](C)C ZINC000065470645 567899524 /nfs/dbraw/zinc/89/95/24/567899524.db2.gz NMWGQGYQJYLICO-MRXNPFEDSA-N 1 0 271.408 3.589 50 0 CHAARO Cc1cc(C[NH+]2CCCC2)cc(Oc2nc(C)cnc2C)c1 ZINC000067727021 567900236 /nfs/dbraw/zinc/90/02/36/567900236.db2.gz FMSFVXWYKSLAIN-UHFFFAOYSA-N 1 0 297.402 3.790 50 0 CHAARO CCCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000004678764 567901398 /nfs/dbraw/zinc/90/13/98/567901398.db2.gz ZZCXGZGHTVNSHV-UHFFFAOYSA-N 1 0 271.408 3.925 50 0 CHAARO CSc1ccc(-c2nccn2C[C@H]2CCCOC2)cc1 ZINC000071754682 567901719 /nfs/dbraw/zinc/90/17/19/567901719.db2.gz BPTZYOCOAVBIAA-CYBMUJFWSA-N 1 0 288.416 3.699 50 0 CHAARO COC[C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000056908412 567906045 /nfs/dbraw/zinc/90/60/45/567906045.db2.gz XLPXPUQOCRTFGV-HNNXBMFYSA-N 1 0 269.388 3.698 50 0 CHAARO Nc1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000096165178 567909686 /nfs/dbraw/zinc/90/96/86/567909686.db2.gz HXYXZZZXWTVTPS-UHFFFAOYSA-N 1 0 252.361 3.532 50 0 CHAARO C[C@H](c1cccc(-c2ccc(C(=O)N(C)C)cc2)c1)[NH+](C)C ZINC000096160543 567909862 /nfs/dbraw/zinc/90/98/62/567909862.db2.gz MMCKDPFXYWGSQB-CQSZACIVSA-N 1 0 296.414 3.678 50 0 CHAARO Cc1ccc([C@@H](C)CC[NH+]2CC(c3cccnc3)C2)o1 ZINC000097757842 567911456 /nfs/dbraw/zinc/91/14/56/567911456.db2.gz NTRAPPXQAQLETD-ZDUSSCGKSA-N 1 0 270.376 3.576 50 0 CHAARO CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000061003226 567927403 /nfs/dbraw/zinc/92/74/03/567927403.db2.gz WKPXFYPWDHIDSR-UHFFFAOYSA-N 1 0 297.427 3.769 50 0 CHAARO Clc1cccc(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000053044813 567931573 /nfs/dbraw/zinc/93/15/73/567931573.db2.gz ZRJKAGCSCSIIJA-UHFFFAOYSA-N 1 0 286.806 3.662 50 0 CHAARO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000004133238 567938061 /nfs/dbraw/zinc/93/80/61/567938061.db2.gz CRUFBTYGTDNZMU-BRWVUGGUSA-N 1 0 259.393 3.611 50 0 CHAARO O[C@H](C[N@H+]1CC=C(c2ccccc2)CC1)c1cccc(F)c1 ZINC000051112461 567940721 /nfs/dbraw/zinc/94/07/21/567940721.db2.gz LIBWANYWGXZZGO-LJQANCHMSA-N 1 0 297.373 3.648 50 0 CHAARO O[C@H](C[NH2+]Cc1csc2ccccc12)c1ccccc1 ZINC000019924995 567945055 /nfs/dbraw/zinc/94/50/55/567945055.db2.gz MXZJTIDEWVYZLC-MRXNPFEDSA-N 1 0 283.396 3.725 50 0 CHAARO O[C@@H](C[NH2+]Cc1csc2ccccc12)c1ccccc1 ZINC000019924993 567945113 /nfs/dbraw/zinc/94/51/13/567945113.db2.gz MXZJTIDEWVYZLC-INIZCTEOSA-N 1 0 283.396 3.725 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000019908958 567945115 /nfs/dbraw/zinc/94/51/15/567945115.db2.gz NHIUKCJAMTZFSC-MLGOLLRUSA-N 1 0 271.360 3.701 50 0 CHAARO Cc1cc(C[N@@H+](C)CC[C@H](C)c2ccc(C)o2)on1 ZINC000216245443 567947618 /nfs/dbraw/zinc/94/76/18/567947618.db2.gz HGCITQINHLDGLP-NSHDSACASA-N 1 0 262.353 3.510 50 0 CHAARO C[N@H+](CCc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000071772919 567948359 /nfs/dbraw/zinc/94/83/59/567948359.db2.gz SULYXIDYHIHCJJ-UHFFFAOYSA-N 1 0 264.372 3.842 50 0 CHAARO COc1ccc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924798 567953912 /nfs/dbraw/zinc/95/39/12/567953912.db2.gz GPNBUYXFARTQBX-CYBMUJFWSA-N 1 0 298.386 3.504 50 0 CHAARO CC[C@H](c1ccc(OC)cc1)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000001595243 567956034 /nfs/dbraw/zinc/95/60/34/567956034.db2.gz ISFKIIUDJLSBCL-QZTJIDSGSA-N 1 0 285.387 3.897 50 0 CHAARO c1ccc2c(c1)cccc2C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004685482 570215966 /nfs/dbraw/zinc/21/59/66/570215966.db2.gz RSIPHLXVRPEPPJ-UHFFFAOYSA-N 1 0 291.350 3.858 50 0 CHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH3+] ZINC000011568418 570219752 /nfs/dbraw/zinc/21/97/52/570219752.db2.gz YGYIXXSODUCIOB-ZETCQYMHSA-N 1 0 252.770 3.792 50 0 CHAARO COc1ccc(C)cc1CC[NH2+]Cc1ccc(C)s1 ZINC000025639004 570231041 /nfs/dbraw/zinc/23/10/41/570231041.db2.gz DPSIDMBJCJODHS-UHFFFAOYSA-N 1 0 275.417 3.706 50 0 CHAARO C[C@H](C[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1)CC(C)(C)C ZINC000013509671 570235363 /nfs/dbraw/zinc/23/53/63/570235363.db2.gz HFXRXQYPTWPANL-OAGGEKHMSA-N 1 0 283.456 3.676 50 0 CHAARO C[C@H](NC(C)(C)c1ccc(F)cc1Cl)c1cnccn1 ZINC000097037760 570251315 /nfs/dbraw/zinc/25/13/15/570251315.db2.gz LGAZZBSLTPLOEX-JTQLQIEISA-N 1 0 293.773 3.855 50 0 CHAARO COc1cccc([C@H]2[NH2+]CC[C@H]2c2ccccc2)c1 ZINC000084238168 570253061 /nfs/dbraw/zinc/25/30/61/570253061.db2.gz IJEGNJDSCQSXES-DLBZAZTESA-N 1 0 253.345 3.513 50 0 CHAARO c1cc2c(s1)[C@@H]1CCCC[C@@H]1O[C@]21C[NH+]2CCC1CC2 ZINC000103032505 570260678 /nfs/dbraw/zinc/26/06/78/570260678.db2.gz YOTNJKHOKZAJDD-KMFMINBZSA-N 1 0 289.444 3.725 50 0 CHAARO Cc1ncsc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000079097079 570273029 /nfs/dbraw/zinc/27/30/29/570273029.db2.gz VCHSIJQAZZSCDM-UHFFFAOYSA-N 1 0 273.336 3.751 50 0 CHAARO Cc1ccc(CN2CCC[C@H]2c2nccs2)s1 ZINC000215116716 570302412 /nfs/dbraw/zinc/30/24/12/570302412.db2.gz DCTOGIGQBGHDJE-LBPRGKRZSA-N 1 0 264.419 3.850 50 0 CHAARO COc1ccc(C[N@H+](C)CC[C@@H]2CCCCO2)cc1Cl ZINC000215457123 570303329 /nfs/dbraw/zinc/30/33/29/570303329.db2.gz NGASUFCSKDZLKY-AWEZNQCLSA-N 1 0 297.826 3.740 50 0 CHAARO Cc1ccc(C[NH+]2CCC(F)(F)CC2)c2cccnc12 ZINC000215699389 570303664 /nfs/dbraw/zinc/30/36/64/570303664.db2.gz RZMIORFPKFQTEC-UHFFFAOYSA-N 1 0 276.330 3.774 50 0 CHAARO C[C@H](C[N@H+](C)Cc1cnc2ccccc2c1)C(F)(F)F ZINC000216461950 570305523 /nfs/dbraw/zinc/30/55/23/570305523.db2.gz PTAJGSUNHOPZLL-LLVKDONJSA-N 1 0 282.309 3.865 50 0 CHAARO C[C@@H]1CCC[C@H]2CCC[N@H+](CC(=O)Nc3ccccc3)[C@@H]12 ZINC000229649323 570316646 /nfs/dbraw/zinc/31/66/46/570316646.db2.gz RQMKDTOHBAISKM-VKJFTORMSA-N 1 0 286.419 3.526 50 0 CHAARO OCCC[C@@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000052761819 570326045 /nfs/dbraw/zinc/32/60/45/570326045.db2.gz CTTUWCOXTKULQA-KRWDZBQOSA-N 1 0 269.388 3.577 50 0 CHAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000248427388 570334013 /nfs/dbraw/zinc/33/40/13/570334013.db2.gz PCTABRSVSCXOCC-MWDXBVQZSA-N 1 0 295.492 3.623 50 0 CHAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2)cc1 ZINC000015837062 570343997 /nfs/dbraw/zinc/34/39/97/570343997.db2.gz JZZDDIBDLFLIPU-SFHVURJKSA-N 1 0 283.371 3.738 50 0 CHAARO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000088734903 570347933 /nfs/dbraw/zinc/34/79/33/570347933.db2.gz OJLYCWOBLDGNPS-BSWAZPDLSA-N 1 0 259.393 3.542 50 0 CHAARO C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2[NH3+] ZINC000253499717 570355927 /nfs/dbraw/zinc/35/59/27/570355927.db2.gz SXFQJBRXNODJBV-XDQBVRMPSA-N 1 0 289.463 3.637 50 0 biogenic CHAARO CSCC1(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)CCC1 ZINC000089493461 570357673 /nfs/dbraw/zinc/35/76/73/570357673.db2.gz WTEUUNIXPKFWPO-AWEZNQCLSA-N 1 0 264.438 3.685 50 0 CHAARO C[C@H]([NH2+]Cc1cc[nH]n1)C(c1ccccc1)c1ccccc1 ZINC000089598537 570366553 /nfs/dbraw/zinc/36/65/53/570366553.db2.gz ZJCQVKXFUTZIFN-HNNXBMFYSA-N 1 0 291.398 3.720 50 0 CHAARO Cc1cc(C)c(OCC[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000000469614 570369764 /nfs/dbraw/zinc/36/97/64/570369764.db2.gz IFQQLQDQMCRAGN-CYBMUJFWSA-N 1 0 261.409 3.723 50 0 CHAARO c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)nc1 ZINC000095351186 570371807 /nfs/dbraw/zinc/37/18/07/570371807.db2.gz AXNZDEOHWQOCIN-QGZVFWFLSA-N 1 0 267.376 3.594 50 0 CHAARO C[C@H]1CSc2ccccc2[C@H]1[NH2+]Cc1cccnc1 ZINC000095427021 570371907 /nfs/dbraw/zinc/37/19/07/570371907.db2.gz RACKREXTFQOYNZ-LRDDRELGSA-N 1 0 270.401 3.654 50 0 CHAARO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1Cc1ccncc1 ZINC000095401541 570371918 /nfs/dbraw/zinc/37/19/18/570371918.db2.gz DJPDQXZFCVTWSO-DOMZBBRYSA-N 1 0 258.390 3.521 50 0 CHAARO Clc1ccc(SCC[NH2+]C2CCCC2)cc1 ZINC000002191182 570374940 /nfs/dbraw/zinc/37/49/40/570374940.db2.gz YWFQGQWZGCTFTP-UHFFFAOYSA-N 1 0 255.814 3.964 50 0 CHAARO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000225457066 570394088 /nfs/dbraw/zinc/39/40/88/570394088.db2.gz SWLLSKHFALACSE-LBPRGKRZSA-N 1 0 295.386 3.999 50 0 CHAARO Cc1nnc([C@@H](C)[NH2+]CC2(c3cccc(C)c3)CCCC2)o1 ZINC000079030505 570396227 /nfs/dbraw/zinc/39/62/27/570396227.db2.gz UFXXTHJHRBZDFP-CQSZACIVSA-N 1 0 299.418 3.849 50 0 CHAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](C)[C@H](C)CO)o1 ZINC000077420741 570404826 /nfs/dbraw/zinc/40/48/26/570404826.db2.gz UHFIKTIOBBEJTC-DGCLKSJQSA-N 1 0 291.366 3.501 50 0 CHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc3cccnc32)on1 ZINC000040536470 570412178 /nfs/dbraw/zinc/41/21/78/570412178.db2.gz BGVPXBMUSIYOHI-MRXNPFEDSA-N 1 0 293.370 3.868 50 0 CHAARO c1ccc([C@@H]2C[C@H](c3noc(C4CC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299761325 1127747137 /nfs/dbraw/zinc/74/71/37/1127747137.db2.gz VBBAUUJGWSVFLI-XHSDSOJGSA-N 1 0 295.386 3.640 50 0 CHAARO CC(C)c1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000005860613 1117833588 /nfs/dbraw/zinc/83/35/88/1117833588.db2.gz DRMWDAMOCXEVFM-UHFFFAOYSA-N 1 0 295.430 3.527 50 0 CHAARO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013729991 1118454462 /nfs/dbraw/zinc/45/44/62/1118454462.db2.gz IXJFAZPPIDOJGE-HXUWFJFHSA-N 1 0 295.426 3.502 50 0 CHAARO Clc1ccccc1N1CCN(Cc2cccs2)CC1 ZINC000022779473 1118899448 /nfs/dbraw/zinc/89/94/48/1118899448.db2.gz XKJCYPAWMASKGX-UHFFFAOYSA-N 1 0 292.835 3.724 50 0 CHAARO COc1cccc(CC[NH2+]Cc2c[nH]c3ccccc23)c1 ZINC000023550194 1119911334 /nfs/dbraw/zinc/91/13/34/1119911334.db2.gz YIUYLNDMSICZBY-UHFFFAOYSA-N 1 0 280.371 3.509 50 0 CHAARO CC[NH+](CC)CCNc1cc(C)c2ccc(Cl)cc2n1 ZINC000023634028 1119995712 /nfs/dbraw/zinc/99/57/12/1119995712.db2.gz ATMPRLLMBNICEP-UHFFFAOYSA-N 1 0 291.826 3.950 50 0 CHAARO CO[C@@H](c1ccc(-c2ccc(OC3CC3)cc2)cc1)[C@H](C)[NH3+] ZINC000530247861 1120194160 /nfs/dbraw/zinc/19/41/60/1120194160.db2.gz COUIYKURHYAXKY-ORAYPTAESA-N 1 0 297.398 3.930 50 0 CHAARO O[C@]12CCCC[C@H]1[C@H](c1cccc(C(F)(F)F)c1)[NH2+]CC2 ZINC000004031349 1120323354 /nfs/dbraw/zinc/32/33/54/1120323354.db2.gz SSBAEOONJVCWQK-KKUMJFAQSA-N 1 0 299.336 3.661 50 0 CHAARO Cc1cc(OCC[NH+]2CCCCC2)ccc1Cl ZINC000005028648 1120952390 /nfs/dbraw/zinc/95/23/90/1120952390.db2.gz OPXHWMXRAHAFDJ-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO CC(C)(O)C[NH2+][C@H](c1ccccc1)c1cccc2[nH]ccc21 ZINC000888093419 1121068441 /nfs/dbraw/zinc/06/84/41/1121068441.db2.gz KEYIIGSLHFKLNM-GOSISDBHSA-N 1 0 294.398 3.618 50 0 CHAARO COc1cccc([C@@H]2c3ccccc3C[NH2+]C2(C)C)c1 ZINC000039257947 1121120357 /nfs/dbraw/zinc/12/03/57/1121120357.db2.gz KFGOAPJYWKXBHI-QGZVFWFLSA-N 1 0 267.372 3.709 50 0 CHAARO CC[N@H+](CCSc1ccccc1)C[C@H]1CCCOC1 ZINC000244641235 1121469532 /nfs/dbraw/zinc/46/95/32/1121469532.db2.gz GLVHGJVAVFUHET-OAHLLOKOSA-N 1 0 279.449 3.527 50 0 CHAARO c1coc(CCC[N@@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000244659396 1121469998 /nfs/dbraw/zinc/46/99/98/1121469998.db2.gz HBUOCBTVZZUTJW-QGZVFWFLSA-N 1 0 270.376 3.834 50 0 CHAARO CO[C@@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000507486913 1121474693 /nfs/dbraw/zinc/47/46/93/1121474693.db2.gz QEMOWWCRAMCIBF-LJQANCHMSA-N 1 0 295.426 3.929 50 0 CHAARO Cc1oc(-c2ccc(OC(F)(F)F)cc2)cc1C[NH3+] ZINC000255188147 1121696874 /nfs/dbraw/zinc/69/68/74/1121696874.db2.gz IRSQIBPALVFLGC-UHFFFAOYSA-N 1 0 271.238 3.612 50 0 CHAARO CCC[N@H+](Cc1cc(C)ccc1-n1cccn1)C1CC1 ZINC000822907292 1121979139 /nfs/dbraw/zinc/97/91/39/1121979139.db2.gz ZOQPKGSAESHNGF-UHFFFAOYSA-N 1 0 269.392 3.555 50 0 CHAARO CC(C)n1nccc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC000426589101 1122829177 /nfs/dbraw/zinc/82/91/77/1122829177.db2.gz RGZTYZOKJUTVJJ-UHFFFAOYSA-N 1 0 284.407 3.512 50 0 CHAARO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720044 1125306357 /nfs/dbraw/zinc/30/63/57/1125306357.db2.gz HULAMQHRSAXYQB-NVXWUHKLSA-N 1 0 294.398 3.503 50 0 CHAARO Cc1cccc([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)c1C ZINC000089578977 1129239972 /nfs/dbraw/zinc/23/99/72/1129239972.db2.gz CCVKFXWFQBTAQZ-CQSZACIVSA-N 1 0 287.407 3.703 50 0 CHAARO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)ccc1F ZINC000065371590 1129564040 /nfs/dbraw/zinc/56/40/40/1129564040.db2.gz MMUFQJTWMFVURQ-ZDUSSCGKSA-N 1 0 258.340 3.722 50 0 CHAARO C[NH+](C)C1(CC2CC2)CCN(Cc2cccc(F)c2)CC1 ZINC000581811347 1129624961 /nfs/dbraw/zinc/62/49/61/1129624961.db2.gz VKIUQGHFFVFDLY-UHFFFAOYSA-N 1 0 290.426 3.522 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052455697 1129651348 /nfs/dbraw/zinc/65/13/48/1129651348.db2.gz AOMZDZGAYNLUBI-MRXNPFEDSA-N 1 0 274.339 3.768 50 0 CHAARO O=C1C=C([NH2+]Nc2ccc(Cl)c(Cl)c2)CCC1 ZINC000254288643 1129680153 /nfs/dbraw/zinc/68/01/53/1129680153.db2.gz URHOSDXYLOBXKH-UHFFFAOYSA-N 1 0 271.147 3.904 50 0 CHAARO Fc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000000183848 1129731286 /nfs/dbraw/zinc/73/12/86/1129731286.db2.gz AHYWCLBRUNGTBG-KRWDZBQOSA-N 1 0 270.351 3.948 50 0 CHAARO Cc1ncsc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717970 1130675798 /nfs/dbraw/zinc/67/57/98/1130675798.db2.gz UVLDXJJYSSETKL-UHFFFAOYSA-N 1 0 272.364 3.509 50 0 CHAARO C[C@@H](O)c1cnc(C[N@H+](C)C2CCC(C)(C)CC2)s1 ZINC000952846951 1132016081 /nfs/dbraw/zinc/01/60/81/1132016081.db2.gz LGAWTOWSRRAEHR-LLVKDONJSA-N 1 0 282.453 3.597 50 0 CHAARO Cc1cccc(CC[NH2+][C@H](C)/C=C/c2cccs2)n1 ZINC000952876584 1132017800 /nfs/dbraw/zinc/01/78/00/1132017800.db2.gz CHZVPNHAIZWDQT-MMQHEFTJSA-N 1 0 272.417 3.686 50 0 CHAARO Cc1nc[nH]c1C[N@@H+](C)C[C@@]1(c2ccccc2)CC1(C)C ZINC000952968053 1132018957 /nfs/dbraw/zinc/01/89/57/1132018957.db2.gz JHDGBRJTQHOVRN-GOSISDBHSA-N 1 0 283.419 3.518 50 0 CHAARO Cc1cccc(OCCCC[NH+]2CCC(C)CC2)c1 ZINC000002954078 230367592 /nfs/dbraw/zinc/36/75/92/230367592.db2.gz HIGVNLOGNJRIRH-UHFFFAOYSA-N 1 0 261.409 3.886 50 0 CHAARO CCc1cnc(CC[NH2+][C@@H](C)Cc2ccsc2)s1 ZINC000095968694 185048194 /nfs/dbraw/zinc/04/81/94/185048194.db2.gz NXQWWBMOUAFEIX-NSHDSACASA-N 1 0 280.462 3.530 50 0 CHAARO CC1(C)[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000096009159 185063741 /nfs/dbraw/zinc/06/37/41/185063741.db2.gz BHQPCLLXCJPZFZ-WJFTUGDTSA-N 1 0 298.474 3.785 50 0 CHAARO COc1cc(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)ccn1 ZINC000096009148 185063916 /nfs/dbraw/zinc/06/39/16/185063916.db2.gz DTYNBAGDRHLBMN-IRXDYDNUSA-N 1 0 296.414 3.762 50 0 CHAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c(=O)[nH]n1 ZINC000096138563 185105763 /nfs/dbraw/zinc/10/57/63/185105763.db2.gz UBUYMQKEJJDGLK-CQSZACIVSA-N 1 0 297.402 3.705 50 0 CHAARO CCOc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)cc1 ZINC000096996345 185148968 /nfs/dbraw/zinc/14/89/68/185148968.db2.gz DCRHPGCGKFDRPF-UHFFFAOYSA-N 1 0 273.351 3.823 50 0 CHAARO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc2ccccc2s1 ZINC000126700632 187256667 /nfs/dbraw/zinc/25/66/67/187256667.db2.gz GDCSINLGACWXJI-SYTFOFBDSA-N 1 0 295.473 3.709 50 0 CHAARO CCCC[C@H](NNc1nc(C)cc(C)[nH+]1)c1ccccc1 ZINC000098086607 185684842 /nfs/dbraw/zinc/68/48/42/185684842.db2.gz APDRGNBQUNWWDB-INIZCTEOSA-N 1 0 284.407 3.941 50 0 CHAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2)C12CCCC2 ZINC000085679964 179113267 /nfs/dbraw/zinc/11/32/67/179113267.db2.gz OBCFGXJHXMMKAL-IAGOWNOFSA-N 1 0 289.419 3.523 50 0 CHAARO Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)o1 ZINC000090727908 180033003 /nfs/dbraw/zinc/03/30/03/180033003.db2.gz QOPZJJRSBOSIGO-ONGXEEELSA-N 1 0 262.353 3.647 50 0 CHAARO CC(C)C[C@H]([NH2+]CCc1ccccc1O)c1ccccn1 ZINC000154921649 188169713 /nfs/dbraw/zinc/16/97/13/188169713.db2.gz GPTRCIPXPCDRTF-KRWDZBQOSA-N 1 0 284.403 3.707 50 0 CHAARO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCCCC2)cc1 ZINC000181913254 189309605 /nfs/dbraw/zinc/30/96/05/189309605.db2.gz SSWOCXZSOOJGAJ-GFCCVEGCSA-N 1 0 260.381 3.628 50 0 CHAARO O=C(CCC[NH+]1CC2CCC(CC2)C1)c1ccc(F)cc1 ZINC000000001828 169503007 /nfs/dbraw/zinc/50/30/07/169503007.db2.gz MQUXDPJVXLTYED-UHFFFAOYSA-N 1 0 289.394 3.911 50 0 in-man CHAARO C[NH+](C)CCCN1c2ccccc2CCc2ccccc21 ZINC000000020245 169507137 /nfs/dbraw/zinc/50/71/37/169507137.db2.gz BCGWQEUPMDMJNV-UHFFFAOYSA-N 1 0 280.415 3.875 50 0 fda CHAARO CC[n+]1c(/C=C(\C)SC)sc2ccc(OC)cc21 ZINC000001505321 169710269 /nfs/dbraw/zinc/71/02/69/169710269.db2.gz TWYYBBAISLNZEW-CSKARUKUSA-N 1 0 280.438 3.941 50 0 CHAARO C[NH2+]CC[C@@H](Oc1ccccc1C)c1ccccc1 ZINC000001842633 169758990 /nfs/dbraw/zinc/75/89/90/169758990.db2.gz VHGCDTVCOLNTBX-QGZVFWFLSA-N 1 0 255.361 3.725 50 0 fda CHAARO Brc1ccccc1OCCC[NH+]1CCCCC1 ZINC000002497158 169795512 /nfs/dbraw/zinc/79/55/12/169795512.db2.gz WDXXHZCEGZJNTB-UHFFFAOYSA-N 1 0 298.224 3.704 50 0 CHAARO Cc1cccc(C)c1C(=O)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514902 169798195 /nfs/dbraw/zinc/79/81/95/169798195.db2.gz QWXFCVIUAVWPJU-UHFFFAOYSA-N 1 0 291.394 3.906 50 0 CHAARO OCC[N@@H+]1CCC[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000004777646 170015708 /nfs/dbraw/zinc/01/57/08/170015708.db2.gz HIQQFDVZPBVYFL-RTBURBONSA-N 1 0 281.399 3.600 50 0 CHAARO CCC(=O)c1ccccc1OCCC[NH+]1CCCCC1 ZINC000004868742 170034225 /nfs/dbraw/zinc/03/42/25/170034225.db2.gz BJCOVAOYOLFQEM-UHFFFAOYSA-N 1 0 275.392 3.534 50 0 CHAARO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCCCC1 ZINC000004901187 170038433 /nfs/dbraw/zinc/03/84/33/170038433.db2.gz UAHUKQUMTUWWHK-UHFFFAOYSA-N 1 0 287.359 3.595 50 0 CHAARO C[N@H+](CCOc1ccccc1Cl)Cc1ccccc1 ZINC000004907178 170039579 /nfs/dbraw/zinc/03/95/79/170039579.db2.gz OAWYBHWEPXYKHG-UHFFFAOYSA-N 1 0 275.779 3.851 50 0 CHAARO C[NH+](C)CCOc1ccc(Cl)cc1C(C)(C)C ZINC000004914877 170040651 /nfs/dbraw/zinc/04/06/51/170040651.db2.gz NFGGECACZRICDO-UHFFFAOYSA-N 1 0 255.789 3.578 50 0 CHAARO CC[C@H](CO)[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000004942790 170042933 /nfs/dbraw/zinc/04/29/33/170042933.db2.gz GMDMEZBPLAVYCY-OAHLLOKOSA-N 1 0 296.414 3.675 50 0 CHAARO COc1ccc(CC[N@H+](C)Cc2ccccc2C)cc1OC ZINC000004948197 170044614 /nfs/dbraw/zinc/04/46/14/170044614.db2.gz LKGIVZJUFPOGGS-UHFFFAOYSA-N 1 0 299.414 3.687 50 0 CHAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000004989478 170050090 /nfs/dbraw/zinc/05/00/90/170050090.db2.gz DGTJZWBZJOTGRG-CQSZACIVSA-N 1 0 287.378 3.945 50 0 CHAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1C)CC2 ZINC000004990172 170050526 /nfs/dbraw/zinc/05/05/26/170050526.db2.gz QBBCHRCDZFAMIZ-UHFFFAOYSA-N 1 0 297.398 3.571 50 0 CHAARO Cc1ccc2[nH]cc(C(=O)C[NH+]3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000005562915 170114006 /nfs/dbraw/zinc/11/40/06/170114006.db2.gz HNRFCWZHAGGJBO-KBPBESRZSA-N 1 0 284.403 3.637 50 0 CHAARO Cc1ccc(C[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC000005701405 170130939 /nfs/dbraw/zinc/13/09/39/170130939.db2.gz USSDRUOGNUJZOF-UHFFFAOYSA-N 1 0 280.415 3.885 50 0 CHAARO C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000005910042 170154540 /nfs/dbraw/zinc/15/45/40/170154540.db2.gz OASATMBJKFGJQT-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO CC[NH+](CC)CCCNC(=O)Nc1cccc2ccccc21 ZINC000006205163 170182341 /nfs/dbraw/zinc/18/23/41/170182341.db2.gz XHWXRJBYIGSLRW-UHFFFAOYSA-N 1 0 299.418 3.693 50 0 CHAARO Cc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000006560688 170213839 /nfs/dbraw/zinc/21/38/39/170213839.db2.gz ARNPRYZUBCMUJI-UHFFFAOYSA-N 1 0 280.165 3.640 50 0 CHAARO C[C@@H](C[NH+]1CCCC1)Oc1ccc2ccccc2c1 ZINC000006794634 170244335 /nfs/dbraw/zinc/24/43/35/170244335.db2.gz NBJPTRGONROFKL-AWEZNQCLSA-N 1 0 255.361 3.703 50 0 CHAARO CCCCC[NH2+]Cn1c2ccccc2oc1=S ZINC000006995480 170260742 /nfs/dbraw/zinc/26/07/42/170260742.db2.gz WYWHYPGMKLJOMU-UHFFFAOYSA-N 1 0 250.367 3.701 50 0 CHAARO CCOCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000007524385 170288772 /nfs/dbraw/zinc/28/87/72/170288772.db2.gz CMFKZDHKQZOXLZ-UHFFFAOYSA-N 1 0 277.339 3.602 50 0 CHAARO CC[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008344396 170332466 /nfs/dbraw/zinc/33/24/66/170332466.db2.gz MTUFDDWMNDOBEV-IUCAKERBSA-N 1 0 289.206 3.709 50 0 CHAARO Cc1[nH]c2ccccc2c(=O)c1C[NH+]1CCCCCC1 ZINC000008700830 170346856 /nfs/dbraw/zinc/34/68/56/170346856.db2.gz ZOENMKUBWJAJJO-UHFFFAOYSA-N 1 0 270.376 3.625 50 0 CHAARO Cc1[nH]c2ccc(F)cc2c(=O)c1C[N@H+]1CCC[C@H](C)C1 ZINC000008717117 170349334 /nfs/dbraw/zinc/34/93/34/170349334.db2.gz QNCSYIWJDHAUIC-NSHDSACASA-N 1 0 288.366 3.620 50 0 CHAARO CC(C)c1ccc(OCCCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000008753016 170354476 /nfs/dbraw/zinc/35/44/76/170354476.db2.gz SCAVDWSAPZLLID-GOSISDBHSA-N 1 0 291.435 3.738 50 0 CHAARO COc1ccc(/C=C\c2cc[n+](C)c3ccccc23)cc1 ZINC000008773177 170355162 /nfs/dbraw/zinc/35/51/62/170355162.db2.gz OTFFHIUDKFLHPM-YFHOEESVSA-N 1 0 276.359 3.843 50 0 CHAARO Cc1cccc(CN2c3ccccc3N3CCC[NH+]=C23)c1 ZINC000009249999 170368606 /nfs/dbraw/zinc/36/86/06/170368606.db2.gz XEOXSLNMDPYNRC-UHFFFAOYSA-N 1 0 277.371 3.581 50 0 CHAARO Cc1cc2nc(-c3ccc(C[NH3+])cc3)oc2c(C)c1 ZINC000016268766 170692262 /nfs/dbraw/zinc/69/22/62/170692262.db2.gz POOZIAQUGIMGTA-UHFFFAOYSA-N 1 0 252.317 3.570 50 0 CHAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000019359443 170776643 /nfs/dbraw/zinc/77/66/43/170776643.db2.gz NZOCCSUBAZMUQL-QAPCUYQASA-N 1 0 290.426 3.522 50 0 CHAARO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000019608791 170830344 /nfs/dbraw/zinc/83/03/44/170830344.db2.gz VSSNXANCALBEDA-CYBMUJFWSA-N 1 0 273.351 3.555 50 0 CHAARO COc1ccccc1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000019787110 170865845 /nfs/dbraw/zinc/86/58/45/170865845.db2.gz ALDZEBAEBBMHRS-UHFFFAOYSA-N 1 0 275.779 3.681 50 0 CHAARO Oc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000020133750 171021823 /nfs/dbraw/zinc/02/18/23/171021823.db2.gz JQDFHMUJLQSCBU-KRWDZBQOSA-N 1 0 253.345 3.559 50 0 CHAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000020204801 171070591 /nfs/dbraw/zinc/07/05/91/171070591.db2.gz SOWNVMIIOILURD-UONOGXRCSA-N 1 0 255.446 3.875 50 0 CHAARO CC(C)[C@H](C)[NH2+]Cc1cc(Br)ccc1F ZINC000020305436 171141557 /nfs/dbraw/zinc/14/15/57/171141557.db2.gz KENRIABLUJZXKH-VIFPVBQESA-N 1 0 274.177 3.722 50 0 CHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)[NH2+]CC2 ZINC000020506946 171228636 /nfs/dbraw/zinc/22/86/36/171228636.db2.gz DRUZNOUZPRHPOS-LJQANCHMSA-N 1 0 297.398 3.719 50 0 CHAARO CC[C@H](C)c1ccccc1OCCC1CC[NH2+]CC1 ZINC000020593609 171263054 /nfs/dbraw/zinc/26/30/54/171263054.db2.gz XKXRNICQAWFHIY-AWEZNQCLSA-N 1 0 261.409 3.969 50 0 CHAARO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1c(C)noc1C ZINC000021720580 171320782 /nfs/dbraw/zinc/32/07/82/171320782.db2.gz QPZBAWMCUKSGQV-OAHLLOKOSA-N 1 0 286.375 3.637 50 0 CHAARO c1ccc(C(OC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000022056059 171351059 /nfs/dbraw/zinc/35/10/59/171351059.db2.gz OQAOREVBRZVXDS-UHFFFAOYSA-N 1 0 267.372 3.545 50 0 in-vitro CHAARO Clc1ccc(OCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022385621 171386289 /nfs/dbraw/zinc/38/62/89/171386289.db2.gz HPJRHECWVIOENY-UHFFFAOYSA-N 1 0 287.790 3.777 50 0 CHAARO [NH3+][C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000022562895 171391457 /nfs/dbraw/zinc/39/14/57/171391457.db2.gz DKVHEFKXNOALTI-CQSZACIVSA-N 1 0 299.267 3.923 50 0 CHAARO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000038095374 174108760 /nfs/dbraw/zinc/10/87/60/174108760.db2.gz STZUTWBLZGEWQO-FZMZJTMJSA-N 1 0 298.224 3.669 50 0 CHAARO Cc1ccccc1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000040090879 174189156 /nfs/dbraw/zinc/18/91/56/174189156.db2.gz BCLKPZSACTXHMF-UHFFFAOYSA-N 1 0 294.398 3.843 50 0 CHAARO Cc1cccc(OCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000040161839 174196000 /nfs/dbraw/zinc/19/60/00/174196000.db2.gz UBYCYROMFMQQSQ-CYBMUJFWSA-N 1 0 287.325 3.648 50 0 CHAARO Oc1ccc(CC[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000040735191 174389025 /nfs/dbraw/zinc/38/90/25/174389025.db2.gz XEWOPIGJQTVFRY-LJQANCHMSA-N 1 0 281.399 3.992 50 0 CHAARO CC[C@@H](C[NH3+])Sc1cc(Cl)ccc1Cl ZINC000043542452 175064079 /nfs/dbraw/zinc/06/40/79/175064079.db2.gz IHAUJYFNOFHEBN-QMMMGPOBSA-N 1 0 250.194 3.823 50 0 CHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046089362 175392793 /nfs/dbraw/zinc/39/27/93/175392793.db2.gz QPRIYYBDMORMML-AWEZNQCLSA-N 1 0 262.378 3.690 50 0 CHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cccc(F)c1 ZINC000058438508 175625897 /nfs/dbraw/zinc/62/58/97/175625897.db2.gz SRNFKRAKLAHKFT-UHFFFAOYSA-N 1 0 298.361 3.674 50 0 CHAARO CC(C)[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000067725284 175787105 /nfs/dbraw/zinc/78/71/05/175787105.db2.gz DGXSVEFESPKSEU-OAHLLOKOSA-N 1 0 269.392 3.665 50 0 CHAARO C[NH+]1CCC(CC(=O)Nc2cccc3ccccc32)CC1 ZINC000071376276 176141113 /nfs/dbraw/zinc/14/11/13/176141113.db2.gz LVNMDZZFIYHEEI-UHFFFAOYSA-N 1 0 282.387 3.510 50 0 CHAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ccncc2)c1 ZINC000071524607 176194169 /nfs/dbraw/zinc/19/41/69/176194169.db2.gz GNOSEAFVRFCKGK-KRWDZBQOSA-N 1 0 282.387 3.529 50 0 CHAARO Cc1cccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071761245 176261140 /nfs/dbraw/zinc/26/11/40/176261140.db2.gz ATDYOWPWZYUHOJ-KRWDZBQOSA-N 1 0 296.414 3.837 50 0 CHAARO Cc1oc(-c2cc(F)cc(F)c2)nc1C[NH+]1CCCC1 ZINC000071764619 176261866 /nfs/dbraw/zinc/26/18/66/176261866.db2.gz HJLBAERCSPVJLX-UHFFFAOYSA-N 1 0 278.302 3.524 50 0 CHAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000071837237 176274036 /nfs/dbraw/zinc/27/40/36/176274036.db2.gz RCXSZBZXPJCSBY-QGZVFWFLSA-N 1 0 269.392 3.739 50 0 CHAARO CCOCC[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072129051 176321206 /nfs/dbraw/zinc/32/12/06/176321206.db2.gz STLRMPZKJZXBCS-INIZCTEOSA-N 1 0 279.399 3.507 50 0 CHAARO CC[C@H]1CN(c2ccc3ccccc3n2)CC[N@@H+]1C(C)C ZINC000077287691 177249647 /nfs/dbraw/zinc/24/96/47/177249647.db2.gz KGDOGJRMQOZHDQ-INIZCTEOSA-N 1 0 283.419 3.544 50 0 CHAARO Cc1ccsc1C[N@@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000077339315 177254065 /nfs/dbraw/zinc/25/40/65/177254065.db2.gz YJNGWELNXDMMAZ-HNNXBMFYSA-N 1 0 289.448 3.698 50 0 CHAARO Cc1nc(CN2CCC[C@@H]2c2nc3ccccc3s2)co1 ZINC000077343944 177254556 /nfs/dbraw/zinc/25/45/56/177254556.db2.gz LXLRPZQNRAGRSG-CQSZACIVSA-N 1 0 299.399 3.930 50 0 CHAARO c1ccc(COc2ccc(C[NH2+]C3CCOCC3)cc2)cc1 ZINC000077885986 177306251 /nfs/dbraw/zinc/30/62/51/177306251.db2.gz FOPHQICGVVONRH-UHFFFAOYSA-N 1 0 297.398 3.534 50 0 CHAARO CC(C)c1nccc(CN(C)Cc2ccccc2Cl)n1 ZINC000218943204 262348397 /nfs/dbraw/zinc/34/83/97/262348397.db2.gz LFYVDZDXZFVCLM-UHFFFAOYSA-N 1 0 289.810 3.885 50 0 CHAARO C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1cccc(F)c1 ZINC000023283188 262357125 /nfs/dbraw/zinc/35/71/25/262357125.db2.gz JXINFYKMYHWWLQ-CQSZACIVSA-N 1 0 287.378 3.685 50 0 CHAARO C[C@@H]1[C@@H](c2ccccc2)O[C@H](c2cccs2)N1C ZINC000096576537 265373527 /nfs/dbraw/zinc/37/35/27/265373527.db2.gz UFDNKBVVFFWGRF-BYCMXARLSA-N 1 0 259.374 3.839 50 0 CHAARO CCOc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1OC ZINC000023283312 266024501 /nfs/dbraw/zinc/02/45/01/266024501.db2.gz WFGJHTWSAFUEAQ-KBPBESRZSA-N 1 0 277.408 3.572 50 0 CHAARO CCc1ncc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)cn1 ZINC000414311787 328154511 /nfs/dbraw/zinc/15/45/11/328154511.db2.gz VKVIEKIYEARAGI-OAHLLOKOSA-N 1 0 297.446 3.885 50 0 CHAARO Cc1ccc(C)c([C@@H]([NH2+]C2CCOCC2)c2cccnc2)c1 ZINC000534587714 328316083 /nfs/dbraw/zinc/31/60/83/328316083.db2.gz RCCJBGXLCMHFNA-IBGZPJMESA-N 1 0 296.414 3.556 50 0 CHAARO CC(C)n1nccc1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000534645408 328330693 /nfs/dbraw/zinc/33/06/93/328330693.db2.gz FJXUWMJHWNJDFS-OAHLLOKOSA-N 1 0 299.418 3.524 50 0 CHAARO C[C@@H](CCn1cccn1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000534667441 328345732 /nfs/dbraw/zinc/34/57/32/328345732.db2.gz PXFSALBGRAHMMP-ZDUSSCGKSA-N 1 0 289.810 3.594 50 0 CHAARO Cc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)s1 ZINC000004897422 326812865 /nfs/dbraw/zinc/81/28/65/326812865.db2.gz SETHNGPHPAFSQC-UHFFFAOYSA-N 1 0 261.434 3.971 50 0 CHAARO O[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000019872045 518203579 /nfs/dbraw/zinc/20/35/79/518203579.db2.gz DAZHQEDFTALLLX-OAHLLOKOSA-N 1 0 295.304 3.529 50 0 CHAARO COc1ccccc1/C=C/C[N@H+](C)C1CCCCC1 ZINC000016662808 524317669 /nfs/dbraw/zinc/31/76/69/524317669.db2.gz CPKGKGZUEHHRRA-CSKARUKUSA-N 1 0 259.393 3.973 50 0 CHAARO C[n+]1cccc([C@@H]2O[C@@H]3CCCC[C@H]3C3=CCCC[C@H]32)c1 ZINC000245380112 525399059 /nfs/dbraw/zinc/39/90/59/525399059.db2.gz RSUINDYISXUKNH-MANSERQUSA-N 1 0 284.423 3.868 50 0 biogenic CHAARO Cc1nc(C)c(C[NH+]2CCC(C(F)(F)F)CC2)s1 ZINC000075996499 526716642 /nfs/dbraw/zinc/71/66/42/526716642.db2.gz VWWQUFXYUQBSTL-UHFFFAOYSA-N 1 0 278.343 3.534 50 0 CHAARO CC[N@@H+]1CCC[C@H]1CNCc1c(Cl)cccc1Cl ZINC000019366888 567878098 /nfs/dbraw/zinc/87/80/98/567878098.db2.gz CYZZHQYWYYCKCC-NSHDSACASA-N 1 0 287.234 3.567 50 0 CHAARO CC[N@H+](Cc1cc(F)ccc1N)C1CCCCC1 ZINC000035057876 567888889 /nfs/dbraw/zinc/88/88/89/567888889.db2.gz KWJLMSPSLQOWJC-UHFFFAOYSA-N 1 0 250.361 3.563 50 0 CHAARO CC[C@@H](C)c1ccc(O[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774612 567891499 /nfs/dbraw/zinc/89/14/99/567891499.db2.gz RLHMZIYAIYDVCU-PWSUYJOCSA-N 1 0 298.224 3.703 50 0 CHAARO Cc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770866 567891546 /nfs/dbraw/zinc/89/15/46/567891546.db2.gz XWDREOFGFGKLBT-GFCCVEGCSA-N 1 0 253.773 3.559 50 0 CHAARO CCCCn1c[n+](COC[C@@H](C)CC)c2ccccc21 ZINC000230519750 566822927 /nfs/dbraw/zinc/82/29/27/566822927.db2.gz ZTAZXDIYROQALU-HNNXBMFYSA-N 1 0 275.416 3.749 50 0 CHAARO CCOC(=O)CCCC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000241383288 566826711 /nfs/dbraw/zinc/82/67/11/566826711.db2.gz MTZMWZZCGMWWRT-HNNXBMFYSA-N 1 0 295.448 3.864 50 0 CHAARO Cc1cccc(NC(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1C ZINC000031653730 566842078 /nfs/dbraw/zinc/84/20/78/566842078.db2.gz GSDWQSDWQGUNGT-AWEZNQCLSA-N 1 0 286.419 3.505 50 0 CHAARO OC1CCC([NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000034995133 566842250 /nfs/dbraw/zinc/84/22/50/566842250.db2.gz QLSOFUOTXRASTL-UHFFFAOYSA-N 1 0 287.428 3.808 50 0 CHAARO CCc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2)cc1 ZINC000034992693 566842559 /nfs/dbraw/zinc/84/25/59/566842559.db2.gz PAUFDTIRFCOIDA-CYBMUJFWSA-N 1 0 255.361 3.805 50 0 CHAARO CC(C)[NH2+][C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000012466980 566845176 /nfs/dbraw/zinc/84/51/76/566845176.db2.gz HUPXIYRLGBLRAH-ZDUSSCGKSA-N 1 0 275.440 3.786 50 0 CHAARO CC[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(F)cc1 ZINC000084734066 566887262 /nfs/dbraw/zinc/88/72/62/566887262.db2.gz DSHLPNCDNJEMLA-HOCLYGCPSA-N 1 0 287.382 3.641 50 0 CHAARO CC[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(F)cc1 ZINC000084734072 566887736 /nfs/dbraw/zinc/88/77/36/566887736.db2.gz DSHLPNCDNJEMLA-ZBFHGGJFSA-N 1 0 287.382 3.641 50 0 CHAARO c1c[nH]c([C@H]2CCCC[N@H+]2CCCc2ccccc2)n1 ZINC000075104895 566936091 /nfs/dbraw/zinc/93/60/91/566936091.db2.gz FVSHQMFWURZDDJ-MRXNPFEDSA-N 1 0 269.392 3.570 50 0 CHAARO Oc1cccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000000212443 566940950 /nfs/dbraw/zinc/94/09/50/566940950.db2.gz AIRCURIQWKKLSU-UHFFFAOYSA-N 1 0 283.346 3.821 50 0 CHAARO c1ccc2c[n+](Cc3ccc4ccccc4n3)ccc2c1 ZINC000001673074 566943933 /nfs/dbraw/zinc/94/39/33/566943933.db2.gz MZDPWAATHBKRAU-UHFFFAOYSA-N 1 0 271.343 3.724 50 0 CHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCOc2ccc(F)cc2)C1 ZINC000001755858 566962233 /nfs/dbraw/zinc/96/22/33/566962233.db2.gz DLVVQEAVYKASPK-HUUCEWRRSA-N 1 0 279.399 3.963 50 0 CHAARO C[N@@H+]1[C@@H](c2ccccc2)C[C@](C)(O)C[C@H]1c1ccccc1 ZINC000239433770 566966832 /nfs/dbraw/zinc/96/68/32/566966832.db2.gz YKVNCLSIBPRPTL-BWTSREIZSA-N 1 0 281.399 3.946 50 0 CHAARO C[C@H]1C(O)[C@H](C)[C@H](c2cccs2)[NH2+][C@H]1c1cccs1 ZINC000239562559 566966883 /nfs/dbraw/zinc/96/68/83/566966883.db2.gz CPNYMZKNSCYTRC-DMTCVQMQSA-N 1 0 293.457 3.828 50 0 CHAARO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cc2ccccc2o1 ZINC000241588161 566968297 /nfs/dbraw/zinc/96/82/97/566968297.db2.gz PAGPGXUBBRAEQD-MOFZMDFASA-N 1 0 293.366 3.742 50 0 CHAARO Cc1ccc(NC(=O)C[NH2+]C2CCCCCCC2)cc1C ZINC000006508868 566977404 /nfs/dbraw/zinc/97/74/04/566977404.db2.gz ILGWUEJHZHUDLW-UHFFFAOYSA-N 1 0 288.435 3.944 50 0 CHAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)C(C)C)c1 ZINC000036100719 566993084 /nfs/dbraw/zinc/99/30/84/566993084.db2.gz OUBZDXHQUXJKQK-GOSISDBHSA-N 1 0 277.452 3.860 50 0 CHAARO CC1=C(C[C@@H]2[NH2+]CCc3nc[nH]c32)C(C)(C)CCC1 ZINC000065432236 567008384 /nfs/dbraw/zinc/00/83/84/567008384.db2.gz QAXWIIAKIHFMSV-AWEZNQCLSA-N 1 0 259.397 3.513 50 0 CHAARO C[C@@H](CC[NH+]1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000170607046 567013853 /nfs/dbraw/zinc/01/38/53/567013853.db2.gz AXCCNXREHNWVMH-HNNXBMFYSA-N 1 0 283.419 3.783 50 0 CHAARO COc1cccc(CN(C)Cc2nc3ccccc3s2)c1 ZINC000042976396 567016916 /nfs/dbraw/zinc/01/69/16/567016916.db2.gz MYOJFNFGPOVSQW-UHFFFAOYSA-N 1 0 298.411 3.937 50 0 CHAARO Cc1csc(CCC[NH2+][C@@H](C)Cc2ccsc2)n1 ZINC000095421635 567132460 /nfs/dbraw/zinc/13/24/60/567132460.db2.gz AASCVQQCAHGBDM-NSHDSACASA-N 1 0 280.462 3.666 50 0 CHAARO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000095421958 567132493 /nfs/dbraw/zinc/13/24/93/567132493.db2.gz ZVVWNFRQAHBENY-JTQLQIEISA-N 1 0 293.411 3.507 50 0 CHAARO CC1(C)C[C@](CC[NH3+])(c2ccc(Cl)cc2)CCO1 ZINC000095476530 567136168 /nfs/dbraw/zinc/13/61/68/567136168.db2.gz TZHIUVTXAZUASU-OAHLLOKOSA-N 1 0 267.800 3.516 50 0 CHAARO CC[NH2+]CCO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000096027137 567138324 /nfs/dbraw/zinc/13/83/24/567138324.db2.gz HEURDLNVCKKRQX-GOSISDBHSA-N 1 0 269.388 3.711 50 0 CHAARO [NH3+]C[C@H](CCCCc1ccccc1)Oc1ccccc1 ZINC000096027224 567139366 /nfs/dbraw/zinc/13/93/66/567139366.db2.gz NYYWDYFOQIUSPR-SFHVURJKSA-N 1 0 269.388 3.806 50 0 CHAARO OCC[N@@H+]1[C@@H](c2ccccc2)CCC[C@H]1c1ccccc1 ZINC000096026902 567139484 /nfs/dbraw/zinc/13/94/84/567139484.db2.gz MWRGPBOZHNQYCZ-KDURUIRLSA-N 1 0 281.399 3.947 50 0 CHAARO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC[C@@H](c3cc[nH]n3)C1)=CC2 ZINC000299786297 567149252 /nfs/dbraw/zinc/14/92/52/567149252.db2.gz QJHOTSXWOSFSND-PMPSAXMXSA-N 1 0 285.435 3.582 50 0 CHAARO COc1ccc([C@H]([NH2+]Cc2cccnc2)C(C)C)cc1 ZINC000032102291 567187804 /nfs/dbraw/zinc/18/78/04/567187804.db2.gz CMZRPAFWHBYWIY-QGZVFWFLSA-N 1 0 270.376 3.577 50 0 CHAARO Cc1nnc([C@@H](C)[N@H+](C)CCc2cccc3ccccc32)o1 ZINC000069530169 567202208 /nfs/dbraw/zinc/20/22/08/567202208.db2.gz YUTWDOUGASXJMD-CYBMUJFWSA-N 1 0 295.386 3.767 50 0 CHAARO C[NH+](C)CC/C=C1/c2ccccc2COc2ccccc21 ZINC000000001148 567816453 /nfs/dbraw/zinc/81/64/53/567816453.db2.gz ODQWQRRAPPTVAG-BOPFTXTBSA-N 1 0 279.383 3.962 50 0 fda CHAARO CCOc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000000060359 567817438 /nfs/dbraw/zinc/81/74/38/567817438.db2.gz JLECVQFDYUGISI-GOSISDBHSA-N 1 0 292.382 3.802 50 0 biogenic,in-vitro CHAARO COc1cccc(CNc2ccc3c(c2)[nH+]c(C)n3C)c1 ZINC000000170064 567821349 /nfs/dbraw/zinc/82/13/49/567821349.db2.gz UGJQJZAPEQBBQC-UHFFFAOYSA-N 1 0 281.359 3.502 50 0 CHAARO FC(F)Oc1ccc(NC2=[NH+]CCCCC2)cc1 ZINC000000203882 567822140 /nfs/dbraw/zinc/82/21/40/567822140.db2.gz YGIFOAFUINSKEN-UHFFFAOYSA-N 1 0 254.280 3.672 50 0 CHAARO Clc1ccccc1N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000000277442 567823563 /nfs/dbraw/zinc/82/35/63/567823563.db2.gz OKCMWEYIBWFRTH-HNNXBMFYSA-N 1 0 290.838 3.818 50 0 CHAARO Cc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000000282539 567824104 /nfs/dbraw/zinc/82/41/04/567824104.db2.gz ZYAZZVUWVMLTBW-UHFFFAOYSA-N 1 0 280.415 3.626 50 0 CHAARO Clc1ccccc1CN1c2ccccc2N2CC[NH+]=C12 ZINC000000301939 567824738 /nfs/dbraw/zinc/82/47/38/567824738.db2.gz SCDIPTLCXZNPCQ-UHFFFAOYSA-N 1 0 283.762 3.536 50 0 CHAARO C[NH+](C)CCc1ccccc1Sc1ccccc1 ZINC000000347484 567826403 /nfs/dbraw/zinc/82/64/03/567826403.db2.gz RAHQYFXENSUGDT-UHFFFAOYSA-N 1 0 257.402 3.942 50 0 CHAARO C[n+]1c(-c2ccccc2)cn2ccc3ccccc3c21 ZINC000000387322 567828395 /nfs/dbraw/zinc/82/83/95/567828395.db2.gz DCKFBWSASXHOPM-UHFFFAOYSA-N 1 0 259.332 3.584 50 0 CHAARO CC[C@H](C)Nc1ncnc2c1cnn2-c1ccc(C)cc1C ZINC000000425601 567830119 /nfs/dbraw/zinc/83/01/19/567830119.db2.gz STHOXMOLNPJMNF-ZDUSSCGKSA-N 1 0 295.390 3.643 50 0 CHAARO CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000002388708 567845885 /nfs/dbraw/zinc/84/58/85/567845885.db2.gz FHHNPFFTBMVGME-UHFFFAOYSA-N 1 0 273.351 3.557 50 0 CHAARO Cc1ccccc1C(=O)c1ccccc1C[NH+]1CCCC1 ZINC000002515542 567846866 /nfs/dbraw/zinc/84/68/66/567846866.db2.gz OFIXJMOLZYKWTO-UHFFFAOYSA-N 1 0 279.383 3.822 50 0 CHAARO CCCC[N@H+](C)CCC(=O)Nc1cccc(Cl)c1C ZINC000002760601 567849095 /nfs/dbraw/zinc/84/90/95/567849095.db2.gz IMCHDBXSIUVXLZ-UHFFFAOYSA-N 1 0 282.815 3.709 50 0 CHAARO C[NH+](C)CCOCCOc1ccc(Cl)cc1C(C)(C)C ZINC000002822210 567849409 /nfs/dbraw/zinc/84/94/09/567849409.db2.gz BJOSXOWNVQPBLO-UHFFFAOYSA-N 1 0 299.842 3.595 50 0 CHAARO CCCC[NH2+]CCCCCOc1ccc(F)cc1 ZINC000002902541 567850723 /nfs/dbraw/zinc/85/07/23/567850723.db2.gz VJCKXGMKGOMTDN-UHFFFAOYSA-N 1 0 253.361 3.765 50 0 CHAARO Cc1cc(OCCOCC[NH2+]C(C)C)ccc1C(C)C ZINC000003003147 567851232 /nfs/dbraw/zinc/85/12/32/567851232.db2.gz UJJQSLKBEZCCCY-UHFFFAOYSA-N 1 0 279.424 3.512 50 0 CHAARO CC[C@H](C)c1ccccc1OCCCC[NH2+]CCCOC ZINC000003002088 567851394 /nfs/dbraw/zinc/85/13/94/567851394.db2.gz LZOZNMDBQXWNEN-INIZCTEOSA-N 1 0 293.451 3.985 50 0 CHAARO O=C(c1ccccc1)c1ccc2[nH]cnc3cccc1c32 ZINC000003098266 567851406 /nfs/dbraw/zinc/85/14/06/567851406.db2.gz BTNIOSVCPNBPKM-UHFFFAOYSA-N 1 0 272.307 3.947 50 0 CHAARO COCCC[NH2+]CCCOc1c(C)cccc1C(C)(C)C ZINC000003460769 567852702 /nfs/dbraw/zinc/85/27/02/567852702.db2.gz WIULYQOTKSTBQC-UHFFFAOYSA-N 1 0 293.451 3.688 50 0 CHAARO Brc1ccc([C@H]2CCCCC[NH2+]2)cc1 ZINC000003734892 567853519 /nfs/dbraw/zinc/85/35/19/567853519.db2.gz KVYLZYCUTHZRNA-GFCCVEGCSA-N 1 0 254.171 3.654 50 0 CHAARO [NH3+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004283529 567856542 /nfs/dbraw/zinc/85/65/42/567856542.db2.gz BZVJOYBTLHNRDW-UHFFFAOYSA-N 1 0 259.352 3.937 50 0 in-vivo CHAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1 ZINC000004414796 567857439 /nfs/dbraw/zinc/85/74/39/567857439.db2.gz CCPBAPTZTZLBNC-UHFFFAOYSA-N 1 0 282.318 3.771 50 0 CHAARO COc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000004657526 567858887 /nfs/dbraw/zinc/85/88/87/567858887.db2.gz YADWJRVGVSSIST-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO C[C@]12CC3CC([NH2+]Cc4ccncc4)(C1)C[C@@](C)(C3)C2 ZINC000004897495 567859090 /nfs/dbraw/zinc/85/90/90/567859090.db2.gz JCRNGFXRDZCRQW-ZTOOSOLZSA-N 1 0 270.420 3.920 50 0 CHAARO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000097377473 567860354 /nfs/dbraw/zinc/86/03/54/567860354.db2.gz DUBTYBVPTYPING-RISCZKNCSA-N 1 0 289.354 3.544 50 0 CHAARO C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012584572 567863614 /nfs/dbraw/zinc/86/36/14/567863614.db2.gz VUPHNSBBVBRLKE-LLVKDONJSA-N 1 0 291.782 3.764 50 0 CHAARO C[N@@H+]1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012575647 567863618 /nfs/dbraw/zinc/86/36/18/567863618.db2.gz KHRADFFRCSEJCH-SFHVURJKSA-N 1 0 279.383 3.878 50 0 CHAARO CC[NH+](CC)CCCNCc1ccc(Cl)c(Cl)c1 ZINC000013734470 567867666 /nfs/dbraw/zinc/86/76/66/567867666.db2.gz AJCAMRFVASYHTQ-UHFFFAOYSA-N 1 0 289.250 3.815 50 0 CHAARO c1ccc2c(c1)cccc2OCC[C@H]1CCC[NH2+]C1 ZINC000014632377 567869499 /nfs/dbraw/zinc/86/94/99/567869499.db2.gz XDZAFYJOKHSMME-CQSZACIVSA-N 1 0 255.361 3.608 50 0 CHAARO c1ccc(COc2ccc(OC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631249 567869534 /nfs/dbraw/zinc/86/95/34/567869534.db2.gz ZGZUSJFOLZMTLE-QGZVFWFLSA-N 1 0 297.398 3.644 50 0 CHAARO C[N@H+](Cc1cc(C2CC2)nc2ccccc12)C1CCOCC1 ZINC000019146349 567877256 /nfs/dbraw/zinc/87/72/56/567877256.db2.gz PTFPQFFXDKMCIK-UHFFFAOYSA-N 1 0 296.414 3.723 50 0 CHAARO CC1CCC([NH+]2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000019636511 567878229 /nfs/dbraw/zinc/87/82/29/567878229.db2.gz SCLDARCWXZBUHT-VMPITWQZSA-N 1 0 298.474 3.896 50 0 CHAARO Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019831611 567879224 /nfs/dbraw/zinc/87/92/24/567879224.db2.gz KUMNLLUQVVTQEH-PKOBYXMFSA-N 1 0 286.463 3.691 50 0 CHAARO c1ccc(CCCN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019831763 567879354 /nfs/dbraw/zinc/87/93/54/567879354.db2.gz DKHJWJYQHHRPQR-UHFFFAOYSA-N 1 0 286.463 3.570 50 0 CHAARO c1csc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000019797600 567879388 /nfs/dbraw/zinc/87/93/88/567879388.db2.gz MKSYHZONULKPFE-UHFFFAOYSA-N 1 0 256.374 3.562 50 0 CHAARO CC[C@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019882000 567879732 /nfs/dbraw/zinc/87/97/32/567879732.db2.gz HLHHDMMWSRCUBS-UWVGGRQHSA-N 1 0 256.187 3.898 50 0 CHAARO CC[C@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000019882218 567879804 /nfs/dbraw/zinc/87/98/04/567879804.db2.gz ROSKTXKLTYIKJN-VHSXEESVSA-N 1 0 256.187 3.898 50 0 CHAARO COCc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000037762681 567880968 /nfs/dbraw/zinc/88/09/68/567880968.db2.gz PKKYPJZXNGODEQ-AWEZNQCLSA-N 1 0 255.361 3.684 50 0 CHAARO C[C@@H]1CC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000023280487 567881567 /nfs/dbraw/zinc/88/15/67/567881567.db2.gz MUKACTBNOKAZQD-CZUORRHYSA-N 1 0 278.827 3.651 50 0 CHAARO CSc1ccc2c(C)cc(N3CCSCC3)nc2c1 ZINC000023634837 567881862 /nfs/dbraw/zinc/88/18/62/567881862.db2.gz KBABLVIZMQNFGA-UHFFFAOYSA-N 1 0 290.457 3.818 50 0 CHAARO Clc1ccc(COCC2CC[NH2+]CC2)c(Cl)c1 ZINC000028522019 567883927 /nfs/dbraw/zinc/88/39/27/567883927.db2.gz OWTKCFGUMIZMDS-UHFFFAOYSA-N 1 0 274.191 3.510 50 0 CHAARO COC(=O)c1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029811086 567884380 /nfs/dbraw/zinc/88/43/80/567884380.db2.gz HDZHSFJQXXIVIO-SFHVURJKSA-N 1 0 295.382 3.593 50 0 CHAARO CCC[N@H+](CCO)CC(c1ccccc1)c1ccccc1 ZINC000000279065 567887441 /nfs/dbraw/zinc/88/74/41/567887441.db2.gz JDUMUSOSKPAOAG-UHFFFAOYSA-N 1 0 283.415 3.523 50 0 CHAARO Oc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc1 ZINC000002498134 567887760 /nfs/dbraw/zinc/88/77/60/567887760.db2.gz OMFSAUWGGHANFQ-UHFFFAOYSA-N 1 0 291.394 3.953 50 0 CHAARO CC[NH+](CC)CCCCCOc1cccc(OC)c1 ZINC000002880637 567888122 /nfs/dbraw/zinc/88/81/22/567888122.db2.gz JMJSLDMZPOIGTG-UHFFFAOYSA-N 1 0 265.397 3.586 50 0 CHAARO COc1cccc(OCCCCCC[NH+]2CCCC2)c1 ZINC000002880565 567888200 /nfs/dbraw/zinc/88/82/00/567888200.db2.gz VZBUOZXVBVEACV-UHFFFAOYSA-N 1 0 277.408 3.730 50 0 CHAARO CC[C@@H](COc1ccccn1)[NH2+]Cc1ccc(Cl)cc1 ZINC000041154159 567890975 /nfs/dbraw/zinc/89/09/75/567890975.db2.gz YVMBBVFQOIUZLI-HNNXBMFYSA-N 1 0 290.794 3.682 50 0 CHAARO CCc1cc(Cl)ccc1OCCC1CC[NH2+]CC1 ZINC000042770950 567891510 /nfs/dbraw/zinc/89/15/10/567891510.db2.gz GSKFZFUBEKOGCT-UHFFFAOYSA-N 1 0 267.800 3.671 50 0 CHAARO Cc1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042772183 567891690 /nfs/dbraw/zinc/89/16/90/567891690.db2.gz NZVHAHCTEHRWDL-UHFFFAOYSA-N 1 0 298.224 3.526 50 0 CHAARO CC(C)(C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042771079 567891739 /nfs/dbraw/zinc/89/17/39/567891739.db2.gz QMKSQEAKUWVCRM-NSHDSACASA-N 1 0 267.800 3.626 50 0 CHAARO CC(C)c1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775025 567891848 /nfs/dbraw/zinc/89/18/48/567891848.db2.gz IVYBADLGQXAHSF-UHFFFAOYSA-N 1 0 267.800 3.842 50 0 CHAARO CC[C@@H](C)c1cc(Cl)ccc1O[C@H]1CC[NH2+]C1 ZINC000042775441 567891989 /nfs/dbraw/zinc/89/19/89/567891989.db2.gz URZNKYWYDYHNAF-PWSUYJOCSA-N 1 0 253.773 3.594 50 0 CHAARO CC(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775018 567892006 /nfs/dbraw/zinc/89/20/06/567892006.db2.gz OYYOHHSTEVIPHI-GFCCVEGCSA-N 1 0 267.800 3.842 50 0 CHAARO Clc1ccc(N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000055543184 567894333 /nfs/dbraw/zinc/89/43/33/567894333.db2.gz HRSTWOYEDHKWAG-UHFFFAOYSA-N 1 0 292.835 3.724 50 0 CHAARO C[NH+](C)[C@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 ZINC000058123588 567895425 /nfs/dbraw/zinc/89/54/25/567895425.db2.gz QHZWILTUFPJLSM-GOSISDBHSA-N 1 0 292.382 3.524 50 0 CHAARO c1cn(Cc2ccccc2C[NH2+]C2CCCCCC2)cn1 ZINC000058202436 567895723 /nfs/dbraw/zinc/89/57/23/567895723.db2.gz NICUBXXARMZVKO-UHFFFAOYSA-N 1 0 283.419 3.744 50 0 CHAARO CCCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000060087756 567896871 /nfs/dbraw/zinc/89/68/71/567896871.db2.gz DDFSQLAHAFBWFZ-QGZVFWFLSA-N 1 0 254.377 3.693 50 0 CHAARO CC(C)C[C@@H]([NH2+]C1CCSCC1)c1cccnc1 ZINC000065404554 567899223 /nfs/dbraw/zinc/89/92/23/567899223.db2.gz CVFOITXKLYQVFZ-OAHLLOKOSA-N 1 0 264.438 3.654 50 0 CHAARO C[NH+](C)Cc1ccc(Oc2nccc3occc32)cc1 ZINC000067726228 567900010 /nfs/dbraw/zinc/90/00/10/567900010.db2.gz JGBBCFUUXOGFPY-UHFFFAOYSA-N 1 0 268.316 3.682 50 0 CHAARO CC[N@H+](Cc1cccc(C(=O)Nc2ccncc2)c1)C(C)C ZINC000067473232 567900275 /nfs/dbraw/zinc/90/02/75/567900275.db2.gz JZQVSNDELJANMU-UHFFFAOYSA-N 1 0 297.402 3.564 50 0 CHAARO Fc1cccnc1Oc1cccc(C[NH+]2CCCC2)c1F ZINC000067846971 567900662 /nfs/dbraw/zinc/90/06/62/567900662.db2.gz HLOTXHLQDXDMAK-UHFFFAOYSA-N 1 0 290.313 3.748 50 0 CHAARO Cc1cc(C)c(NC(=O)CC[NH2+]C2CCCCC2)c(C)c1 ZINC000000027798 567900973 /nfs/dbraw/zinc/90/09/73/567900973.db2.gz CFLSNJWQWUMYHB-UHFFFAOYSA-N 1 0 288.435 3.863 50 0 CHAARO Cc1ccc(C)n1CCC[NH2+]CCCn1c(C)ccc1C ZINC000071771654 567901916 /nfs/dbraw/zinc/90/19/16/567901916.db2.gz IZPSKUKMUCBKNI-UHFFFAOYSA-N 1 0 287.451 3.593 50 0 CHAARO CO[C@H](C)c1cccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000097045952 567903628 /nfs/dbraw/zinc/90/36/28/567903628.db2.gz UIHKEERKLQQKBS-VMUDFCTBSA-N 1 0 276.424 3.535 50 0 CHAARO Cc1csc([C@H]2CCCN(c3cccc(C)n3)C2)n1 ZINC000097096564 567904235 /nfs/dbraw/zinc/90/42/35/567904235.db2.gz PHOFYLZJHOYOPQ-ZDUSSCGKSA-N 1 0 273.405 3.539 50 0 CHAARO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1cccs1 ZINC000097228487 567905950 /nfs/dbraw/zinc/90/59/50/567905950.db2.gz XLMOEJDMOVRUTK-NSHDSACASA-N 1 0 264.394 3.636 50 0 CHAARO CCCn1ncnc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000096152291 567909665 /nfs/dbraw/zinc/90/96/65/567909665.db2.gz HMIMTLGUXXOSSE-AWEZNQCLSA-N 1 0 284.407 3.512 50 0 CHAARO Cc1nnc(-c2ccc(-c3ccccc3C[NH+](C)C)cc2)o1 ZINC000096152212 567909861 /nfs/dbraw/zinc/90/98/61/567909861.db2.gz XDQGICHBAIWDBG-UHFFFAOYSA-N 1 0 293.370 3.774 50 0 CHAARO Cc1nc(-c2ccc(C[NH+](C)C)cc2)cc(C(C)C)n1 ZINC000097307510 567910632 /nfs/dbraw/zinc/91/06/32/567910632.db2.gz BUHOJFLXOQROMC-UHFFFAOYSA-N 1 0 269.392 3.637 50 0 CHAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@@H]2CCO)o1 ZINC000097642376 567910810 /nfs/dbraw/zinc/91/08/10/567910810.db2.gz XQIFXMWCTCWJKT-MRXNPFEDSA-N 1 0 285.387 3.602 50 0 CHAARO Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ncc[nH]2)ccc1F ZINC000102384510 567915220 /nfs/dbraw/zinc/91/52/20/567915220.db2.gz DYYISVZRLPARRW-MUJYYYPQSA-N 1 0 299.393 3.768 50 0 CHAARO C[C@]12CCCC[N@@H+]1CCCc1c3ccccc3[nH]c12 ZINC000000331082 567926641 /nfs/dbraw/zinc/92/66/41/567926641.db2.gz SSVYQKVUSXFNFY-QGZVFWFLSA-N 1 0 254.377 3.815 50 0 biogenic CHAARO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cc2c(s1)CCC2 ZINC000166286612 567927671 /nfs/dbraw/zinc/92/76/71/567927671.db2.gz COGVIGNXRLVBQL-MBNYWOFBSA-N 1 0 290.476 3.513 50 0 CHAARO C[C@@H](c1ccc(-c2ncc(Cl)cn2)cc1)[NH+]1CCCC1 ZINC000426491561 567929174 /nfs/dbraw/zinc/92/91/74/567929174.db2.gz QXLXMGJYKZTYIX-LBPRGKRZSA-N 1 0 287.794 3.954 50 0 CHAARO c1ccc(-c2nnc(CC[NH2+]C3CCCCCC3)o2)cc1 ZINC000062653271 567936940 /nfs/dbraw/zinc/93/69/40/567936940.db2.gz HHDVGEOAAHRLPB-UHFFFAOYSA-N 1 0 285.391 3.592 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000014196413 567942535 /nfs/dbraw/zinc/94/25/35/567942535.db2.gz PRUALMBDURPVLK-UHFFFAOYSA-N 1 0 288.778 3.588 50 0 CHAARO CC[NH2+][C@H]1CCc2c1cccc2OCc1ccccc1 ZINC000062799795 567943609 /nfs/dbraw/zinc/94/36/09/567943609.db2.gz GQFUZPJMCFWXJO-KRWDZBQOSA-N 1 0 267.372 3.862 50 0 CHAARO Cc1ncccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000019884250 567945006 /nfs/dbraw/zinc/94/50/06/567945006.db2.gz INWGFECFPHNPMQ-UHFFFAOYSA-N 1 0 280.415 3.845 50 0 CHAARO Fc1ccc(CC[NH2+]Cc2c[nH]c3ccccc23)cc1 ZINC000019921037 567945092 /nfs/dbraw/zinc/94/50/92/567945092.db2.gz MUQYSPOLJOXTBC-UHFFFAOYSA-N 1 0 268.335 3.639 50 0 CHAARO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000049801344 567946900 /nfs/dbraw/zinc/94/69/00/567946900.db2.gz QSJYAJPMGBWTRM-QGZVFWFLSA-N 1 0 275.436 3.721 50 0 CHAARO CNc1nccnc1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000216543471 567947767 /nfs/dbraw/zinc/94/77/67/567947767.db2.gz KTRMFPHGRUFOGR-CQSZACIVSA-N 1 0 296.418 3.732 50 0 CHAARO O[C@]12CCCC[C@H]1[C@H](c1ccc3ccccc3c1)[NH2+]CC2 ZINC000000758950 567947949 /nfs/dbraw/zinc/94/79/49/567947949.db2.gz LNMZDLQETPKCDD-FHWLQOOXSA-N 1 0 281.399 3.796 50 0 CHAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2F)cc1 ZINC000023280904 567948722 /nfs/dbraw/zinc/94/87/22/567948722.db2.gz CQWQMPNHOVSUTC-CQSZACIVSA-N 1 0 287.378 3.945 50 0 CHAARO Fc1ccc([C@@H](OC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000038527504 567951232 /nfs/dbraw/zinc/95/12/32/567951232.db2.gz DTPGQEJIMZFSOC-SFHVURJKSA-N 1 0 285.362 3.684 50 0 CHAARO COCC[C@@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225392633 567953260 /nfs/dbraw/zinc/95/32/60/567953260.db2.gz CLEIWPUEFFYQTR-GFCCVEGCSA-N 1 0 291.366 3.909 50 0 CHAARO COC(=O)CCCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000225514113 567953782 /nfs/dbraw/zinc/95/37/82/567953782.db2.gz HZAZAXCAZLKAHQ-QGZVFWFLSA-N 1 0 289.419 3.784 50 0 CHAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2ccccc2c1 ZINC000030908716 567955363 /nfs/dbraw/zinc/95/53/63/567955363.db2.gz YJGZLJSRMKPPTC-SFHVURJKSA-N 1 0 291.398 3.741 50 0 CHAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000011839363 570220689 /nfs/dbraw/zinc/22/06/89/570220689.db2.gz RUTJARMMUFWHMM-PTJFDQCRSA-N 1 0 280.362 3.807 50 0 CHAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000011874457 570220746 /nfs/dbraw/zinc/22/07/46/570220746.db2.gz RXGOVWIQFLQKLY-ZDUSSCGKSA-N 1 0 277.795 3.787 50 0 CHAARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc2cc(Cl)ccc2o1 ZINC000097370977 570218557 /nfs/dbraw/zinc/21/85/57/570218557.db2.gz CKAXKZTXEDSHQU-COPLHBTASA-N 1 0 291.778 3.674 50 0 CHAARO C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccccn1 ZINC000069950175 570231407 /nfs/dbraw/zinc/23/14/07/570231407.db2.gz QBJMJNGAGQKJGT-NSHDSACASA-N 1 0 296.292 3.831 50 0 CHAARO CC[C@@H]([NH2+]Cc1ccc(C)cn1)c1ccccc1OC ZINC000095416623 570239580 /nfs/dbraw/zinc/23/95/80/570239580.db2.gz OYUGZESLZVSLQO-MRXNPFEDSA-N 1 0 270.376 3.640 50 0 CHAARO [NH3+]C1CCC(Sc2ccc(Br)cc2)CC1 ZINC000055143782 570241153 /nfs/dbraw/zinc/24/11/53/570241153.db2.gz SOUCDDGAQUQPDJ-UHFFFAOYSA-N 1 0 286.238 3.811 50 0 CHAARO CCCC[N@H+](CCCn1nc(C)cc1C)Cc1ccco1 ZINC000055244706 570242126 /nfs/dbraw/zinc/24/21/26/570242126.db2.gz LSBMTNFNKWLTDD-UHFFFAOYSA-N 1 0 289.423 3.785 50 0 CHAARO CC[C@H](C)[N@H+](CCCn1nc(C)cc1C)C1CCCC1 ZINC000055357815 570242718 /nfs/dbraw/zinc/24/27/18/570242718.db2.gz VBXMEALEEPUNBG-HNNXBMFYSA-N 1 0 277.456 3.933 50 0 CHAARO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)on1 ZINC000066898251 570245843 /nfs/dbraw/zinc/24/58/43/570245843.db2.gz WKYGYCQWKATKJP-MRXNPFEDSA-N 1 0 270.376 3.753 50 0 CHAARO c1nc(-c2cccnc2)sc1C[NH2+]C1CCCCC1 ZINC000080328122 570273049 /nfs/dbraw/zinc/27/30/49/570273049.db2.gz XVOVQKKBMCFVGB-UHFFFAOYSA-N 1 0 273.405 3.627 50 0 CHAARO C[C@@H](c1ccncc1)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000188167199 570274644 /nfs/dbraw/zinc/27/46/44/570274644.db2.gz LTIHBKOAPYEXAC-HNNXBMFYSA-N 1 0 289.467 3.633 50 0 CHAARO C[C@H](c1ccncc1)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000188167221 570274667 /nfs/dbraw/zinc/27/46/67/570274667.db2.gz LTIHBKOAPYEXAC-OAHLLOKOSA-N 1 0 289.467 3.633 50 0 CHAARO Cc1cc2ncc3c(n2[o+]1)C(=Cc1ccccc1)CCC3 ZINC000005258611 570298535 /nfs/dbraw/zinc/29/85/35/570298535.db2.gz LVCNMJYTTDSFEV-RVDMUPIBSA-N 1 0 277.347 3.599 50 0 CHAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@](C)(O)CC2)o1 ZINC000215128820 570302324 /nfs/dbraw/zinc/30/23/24/570302324.db2.gz APFZUJYVPMKFPL-IBGZPJMESA-N 1 0 299.414 3.992 50 0 CHAARO CS[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000685939692 570318239 /nfs/dbraw/zinc/31/82/39/570318239.db2.gz WSOISFYZZFTNCM-KGYLQXTDSA-N 1 0 282.478 3.703 50 0 CHAARO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3nc(C)sc32)C1 ZINC000685939700 570318290 /nfs/dbraw/zinc/31/82/90/570318290.db2.gz ZORGCWCTMYEGRR-LOWVWBTDSA-N 1 0 282.478 3.703 50 0 CHAARO CCCN(Cc1cncn1C1CC1)Cc1ccccc1F ZINC000244691681 570321093 /nfs/dbraw/zinc/32/10/93/570321093.db2.gz JHDFWFQBCNRHSD-UHFFFAOYSA-N 1 0 287.382 3.769 50 0 CHAARO [NH2+]=C(COc1ccc(Cl)cc1)NC1CCCCC1 ZINC000004015683 570329511 /nfs/dbraw/zinc/32/95/11/570329511.db2.gz HBOXGRZUHSCGND-UHFFFAOYSA-N 1 0 266.772 3.618 50 0 CHAARO C[C@@H]([NH2+]Cc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003896872 570328696 /nfs/dbraw/zinc/32/86/96/570328696.db2.gz GLJRNCZYMLAOAN-RRCMXIFQSA-N 1 0 297.442 3.950 50 0 CHAARO O=C(CC[NH+]1CCCCCC1)Nc1ccc(Cl)cc1F ZINC000012760711 570337049 /nfs/dbraw/zinc/33/70/49/570337049.db2.gz HPHKAFAGUVBXFZ-UHFFFAOYSA-N 1 0 298.789 3.684 50 0 CHAARO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000075568145 570356035 /nfs/dbraw/zinc/35/60/35/570356035.db2.gz VRBLMNFODMQROW-YLJYHZDGSA-N 1 0 294.442 3.654 50 0 CHAARO CC[C@]1(C)C[C@@H]([C@H](CC[NH3+])c2ccccc2)CCO1 ZINC000252370236 570374151 /nfs/dbraw/zinc/37/41/51/570374151.db2.gz XFYDEOVNLBSXAJ-GVDBMIGSSA-N 1 0 261.409 3.714 50 0 biogenic CHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc[nH]c2)cc1 ZINC000068283743 570401135 /nfs/dbraw/zinc/40/11/35/570401135.db2.gz SOBKUNYMNGXAQK-AWEZNQCLSA-N 1 0 297.402 3.641 50 0 CHAARO CCc1nc(C)c(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000952971999 615737476 /nfs/dbraw/zinc/73/74/76/615737476.db2.gz YWFQHSNEQLQUMV-IBGZPJMESA-N 1 0 297.446 3.738 50 0 CHAARO CCc1nc(C)c(C[NH2+][C@@H](CC)c2cccs2)[nH]1 ZINC000952991153 615737570 /nfs/dbraw/zinc/73/75/70/615737570.db2.gz ZPZHNKHQCMNAOX-NSHDSACASA-N 1 0 263.410 3.583 50 0 CHAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2[NH3+] ZINC000524732078 1126791031 /nfs/dbraw/zinc/79/10/31/1126791031.db2.gz WDTAJXMIXADUTH-RMCLQANOSA-N 1 0 291.479 3.717 50 0 biogenic CHAARO c1ccc(NCCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000863984678 1128718710 /nfs/dbraw/zinc/71/87/10/1128718710.db2.gz YOAJYUWGMRPJAF-MQVJKMGUSA-N 1 0 276.449 3.505 50 0 CHAARO CCN(CC[NH+](CC)CC)Cc1cccc(Cl)c1 ZINC000022044968 1118182006 /nfs/dbraw/zinc/18/20/06/1118182006.db2.gz SIWGIVPIQPJUEH-UHFFFAOYSA-N 1 0 268.832 3.504 50 0 CHAARO Cc1ccsc1C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000055291970 1118476906 /nfs/dbraw/zinc/47/69/06/1118476906.db2.gz XFFNIGNDFRAHHF-UHFFFAOYSA-N 1 0 286.444 3.687 50 0 CHAARO C[C@H](NCc1cc[nH]n1)c1cc(Cl)cc(Cl)c1F ZINC000692315131 1118596223 /nfs/dbraw/zinc/59/62/23/1118596223.db2.gz RLLZTGWRUNLSLW-ZETCQYMHSA-N 1 0 288.153 3.706 50 0 CHAARO Cc1cc(OCCC[NH+]2CCCC2)ccc1Cl ZINC000002933010 1119192248 /nfs/dbraw/zinc/19/22/48/1119192248.db2.gz NGPSNKMGBYGXJW-UHFFFAOYSA-N 1 0 253.773 3.513 50 0 CHAARO Cc1noc(C)c1[C@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000194519875 1119229402 /nfs/dbraw/zinc/22/94/02/1119229402.db2.gz PAFSCRLDADODMS-CHWSQXEVSA-N 1 0 272.392 3.788 50 0 CHAARO C[C@H]1C[NH+](Cc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000023114825 1119260250 /nfs/dbraw/zinc/26/02/50/1119260250.db2.gz ZBUQDYOUDXYFBP-HOTGVXAUSA-N 1 0 281.399 3.963 50 0 CHAARO COc1ccccc1OCCCC[N@H+](C)Cc1ccccc1 ZINC000003002212 1119267523 /nfs/dbraw/zinc/26/75/23/1119267523.db2.gz YNELOVYDYFPJBN-UHFFFAOYSA-N 1 0 299.414 3.986 50 0 CHAARO C[NH2+]CC/C=C1/c2ccccc2COc2ccccc21 ZINC000002035742 1119413897 /nfs/dbraw/zinc/41/38/97/1119413897.db2.gz HVKCEFHNSNZIHO-YBEGLDIGSA-N 1 0 265.356 3.620 50 0 world CHAARO C[C@H]1CCCC[N@@H+]1CCCc1ccc(N(C)C)cc1 ZINC000020118169 1120195951 /nfs/dbraw/zinc/19/59/51/1120195951.db2.gz JLWKHBTUZZWYKK-HNNXBMFYSA-N 1 0 260.425 3.560 50 0 CHAARO Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)s1 ZINC000047798801 1120796243 /nfs/dbraw/zinc/79/62/43/1120796243.db2.gz QVXPFXZBQLYOST-UHFFFAOYSA-N 1 0 289.429 3.798 50 0 CHAARO COc1ccccc1C[N@H+](C)Cc1ccccc1C ZINC000048374792 1120815412 /nfs/dbraw/zinc/81/54/12/1120815412.db2.gz ROZOIOFAPUDALV-UHFFFAOYSA-N 1 0 255.361 3.636 50 0 CHAARO c1ccc(CC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000000809975 1120993189 /nfs/dbraw/zinc/99/31/89/1120993189.db2.gz WHTKPPSSWDUXTC-UHFFFAOYSA-N 1 0 266.388 3.536 50 0 CHAARO OCC[C@@H]([NH2+]Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000888095870 1121077725 /nfs/dbraw/zinc/07/77/25/1121077725.db2.gz CSHPFJMUYMVPHU-WFRNDULYSA-N 1 0 299.458 3.744 50 0 CHAARO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000124963151 1121335674 /nfs/dbraw/zinc/33/56/74/1121335674.db2.gz SJTKZEQPHMICRQ-SFHVURJKSA-N 1 0 292.386 3.685 50 0 CHAARO c1ccc([C@@H](CNc2cnccn2)[NH+]2CCCCCC2)cc1 ZINC000820408950 1121898638 /nfs/dbraw/zinc/89/86/38/1121898638.db2.gz BVXLWKBOBGQOIU-QGZVFWFLSA-N 1 0 296.418 3.506 50 0 CHAARO c1cc([C@H]2CCCCO2)oc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000820408725 1121898867 /nfs/dbraw/zinc/89/88/67/1121898867.db2.gz KGTKTXCBWIUPBV-HLLBOEOZSA-N 1 0 287.403 3.919 50 0 CHAARO Cc1cnc(CN(Cc2ccc(Cl)cc2)C2CC2)cn1 ZINC000505816220 1122549320 /nfs/dbraw/zinc/54/93/20/1122549320.db2.gz VDJHFQOQYMCDNA-UHFFFAOYSA-N 1 0 287.794 3.603 50 0 CHAARO CC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000035762871 1123628728 /nfs/dbraw/zinc/62/87/28/1123628728.db2.gz RPXFUNFOAAVJPC-SNVBAGLBSA-N 1 0 272.211 3.596 50 0 CHAARO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@]2(C1)CCCOC2 ZINC000585082612 1131269449 /nfs/dbraw/zinc/26/94/49/1131269449.db2.gz QLDWXFKBLGQVFG-LJQANCHMSA-N 1 0 296.414 3.859 50 0 CHAARO COc1ccc2[nH]c(C[NH2+][C@H](C)CC(F)(F)F)cc2c1 ZINC000824758450 1129300459 /nfs/dbraw/zinc/30/04/59/1129300459.db2.gz DWSRTCCVNMOPTM-SECBINFHSA-N 1 0 286.297 3.607 50 0 CHAARO CCC(CC)C[N@@H+]1CC[C@@H](n2c(C)cnc2C2CC2)C1 ZINC000575548072 1129427243 /nfs/dbraw/zinc/42/72/43/1129427243.db2.gz GJEMDPLGRBLZNN-MRXNPFEDSA-N 1 0 275.440 3.752 50 0 CHAARO CN1CCC([N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000000200523 1129734991 /nfs/dbraw/zinc/73/49/91/1129734991.db2.gz HLDFRMGZEJRVCA-UHFFFAOYSA-N 1 0 287.234 3.519 50 0 CHAARO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)F)nc1 ZINC000658024539 1130675037 /nfs/dbraw/zinc/67/50/37/1130675037.db2.gz YKXVFDCFNRSLQF-VHSXEESVSA-N 1 0 293.317 3.532 50 0 CHAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccnn1C ZINC000192245919 1131908002 /nfs/dbraw/zinc/90/80/02/1131908002.db2.gz ALVSJUZCBNKPHY-HNNXBMFYSA-N 1 0 291.398 3.860 50 0 CHAARO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1ccc(Cl)s1 ZINC000037156078 1132005347 /nfs/dbraw/zinc/00/53/47/1132005347.db2.gz IMUDOTGJWJGXFC-LBPRGKRZSA-N 1 0 297.855 3.803 50 0 CHAARO Fc1ccc2cc(C[NH2+]C[C@H]3COc4ccccc43)[nH]c2c1 ZINC000952845830 1132015681 /nfs/dbraw/zinc/01/56/81/1132015681.db2.gz APMGEWVJPHHMGC-ZDUSSCGKSA-N 1 0 296.345 3.573 50 0 CHAARO c1cc(CNC[C@@H](c2ccccc2)[NH+]2CCCCCC2)co1 ZINC000952960176 1132018119 /nfs/dbraw/zinc/01/81/19/1132018119.db2.gz CSRIVLFBJSPCPR-IBGZPJMESA-N 1 0 298.430 3.987 50 0 CHAARO Cc1ccc(C[NH2+][C@H](C)c2ccco2)c(N(C)C)c1 ZINC000095969124 185047848 /nfs/dbraw/zinc/04/78/48/185047848.db2.gz QTJVPUGENJOOOM-CYBMUJFWSA-N 1 0 258.365 3.505 50 0 CHAARO C1CCCC(c2noc([C@@H]3CCCCC[NH2+]3)n2)CC1 ZINC000083255155 178370981 /nfs/dbraw/zinc/37/09/81/178370981.db2.gz SIFOPMPDQCHBDI-ZDUSSCGKSA-N 1 0 263.385 3.712 50 0 CHAARO C[C@H](CC[NH2+][C@@H](C)c1cc2ccccc2s1)[S@](C)=O ZINC000126700879 187257139 /nfs/dbraw/zinc/25/71/39/187257139.db2.gz GDCSINLGACWXJI-UYSIFFEZSA-N 1 0 295.473 3.709 50 0 CHAARO C[N@@H+]1CCN(Cc2cccc3[nH]ccc32)c2ccccc2C1 ZINC000353588034 529774893 /nfs/dbraw/zinc/77/48/93/529774893.db2.gz KPRTYMQQCBKJDU-UHFFFAOYSA-N 1 0 291.398 3.620 50 0 CHAARO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1nccs1 ZINC000086507935 179303801 /nfs/dbraw/zinc/30/38/01/179303801.db2.gz CFKNXLDTVWWQQG-NSHDSACASA-N 1 0 271.389 3.518 50 0 CHAARO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156734839 188279134 /nfs/dbraw/zinc/27/91/34/188279134.db2.gz VXUMTZZIXVSAGS-CQSZACIVSA-N 1 0 290.451 3.609 50 0 CHAARO CC(C)[NH2+]Cc1c(Cl)cccc1Br ZINC000261493450 190039191 /nfs/dbraw/zinc/03/91/91/190039191.db2.gz BIDKYLRHVTUYAO-UHFFFAOYSA-N 1 0 262.578 3.601 50 0 CHAARO CCC[NH2+]Cc1c(Cl)cccc1Br ZINC000261494038 190039824 /nfs/dbraw/zinc/03/98/24/190039824.db2.gz OHVDXZVTEGUGII-UHFFFAOYSA-N 1 0 262.578 3.602 50 0 CHAARO CCc1ccc(C(=O)[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000000000250 169502360 /nfs/dbraw/zinc/50/23/60/169502360.db2.gz SQUNAWUMZGQQJD-CQSZACIVSA-N 1 0 259.393 3.554 50 0 world CHAARO C[NH+](C)C[C@H]1c2ccccc2CSc2ccccc21 ZINC000000347716 169613663 /nfs/dbraw/zinc/61/36/63/169613663.db2.gz ICVCJRXWYDUPFT-INIZCTEOSA-N 1 0 269.413 3.986 50 0 CHAARO COc1ccccc1Sc1ccccc1C[C@H](C)[NH3+] ZINC000000347791 169613717 /nfs/dbraw/zinc/61/37/17/169613717.db2.gz IZCVLFKUXSXJLR-LBPRGKRZSA-N 1 0 273.401 3.736 50 0 CHAARO COc1cccc(Oc2ccccc2C[NH+](C)C)c1 ZINC000000346790 169613216 /nfs/dbraw/zinc/61/32/16/169613216.db2.gz VVEVTPYHBGQASR-UHFFFAOYSA-N 1 0 257.333 3.549 50 0 CHAARO CSc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1F ZINC000097017101 533004978 /nfs/dbraw/zinc/00/49/78/533004978.db2.gz LKPGHFLGVDDJQP-WDEREUQCSA-N 1 0 293.411 3.693 50 0 CHAARO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000095420804 184976161 /nfs/dbraw/zinc/97/61/61/184976161.db2.gz DZACUUNWAHCIER-CHWSQXEVSA-N 1 0 283.375 3.887 50 0 CHAARO CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(C)cc1 ZINC000095420948 184976699 /nfs/dbraw/zinc/97/66/99/184976699.db2.gz MBHZJBASIYFSNG-SFHVURJKSA-N 1 0 296.414 3.596 50 0 CHAARO COc1ncnc(C)c1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000426376293 533286539 /nfs/dbraw/zinc/28/65/39/533286539.db2.gz HDPNVUGATAJFCB-CQSZACIVSA-N 1 0 297.402 3.617 50 0 CHAARO Fc1ccccc1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000000278110 134524432 /nfs/dbraw/zinc/52/44/32/134524432.db2.gz IAZJQTIEHDHEQO-UHFFFAOYSA-N 1 0 298.405 3.581 50 0 CHAARO C[C@@H]([NH2+]Cc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000004168183 169940928 /nfs/dbraw/zinc/94/09/28/169940928.db2.gz KJVLVVDSJRPNIS-MZHSRFCDSA-N 1 0 270.420 3.776 50 0 CHAARO COc1ccc2ccccc2c1C[NH2+]CCC(C)C ZINC000004695062 170000109 /nfs/dbraw/zinc/00/01/09/170000109.db2.gz ZAOPRJQCADBUDC-UHFFFAOYSA-N 1 0 257.377 3.984 50 0 CHAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OC ZINC000004700431 170001256 /nfs/dbraw/zinc/00/12/56/170001256.db2.gz JRCICDNIEWBFRP-UHFFFAOYSA-N 1 0 263.381 3.516 50 0 CHAARO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004871745 170034989 /nfs/dbraw/zinc/03/49/89/170034989.db2.gz UEQWWPMREGCWDQ-BETUJISGSA-N 1 0 284.403 3.637 50 0 CHAARO Cc1ccc(NC(=O)C[N@@H+](C)C2CCCCC2)cc1Cl ZINC000004952319 170044848 /nfs/dbraw/zinc/04/48/48/170044848.db2.gz BZLVZJUUCWCGBJ-UHFFFAOYSA-N 1 0 294.826 3.851 50 0 CHAARO CCOc1cc(C[N@@H+]2CCCC[C@H]2CC)ccc1OC ZINC000004988184 170049371 /nfs/dbraw/zinc/04/93/71/170049371.db2.gz WBTWIXVQCKNXGD-OAHLLOKOSA-N 1 0 277.408 3.858 50 0 CHAARO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CCC[C@H](C)C1)CC2 ZINC000004989359 170050024 /nfs/dbraw/zinc/05/00/24/170050024.db2.gz ZQIOKZDDGDLJOJ-XJKSGUPXSA-N 1 0 289.419 3.641 50 0 CHAARO CC1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000005163649 170072946 /nfs/dbraw/zinc/07/29/46/170072946.db2.gz TUIGMBIXSCHNOY-UHFFFAOYSA-N 1 0 297.398 3.514 50 0 biogenic CHAARO [NH2+]=c1c2c(n(CCc3ccccc3)c3c1CCCC3)CCC2 ZINC000005603081 170118600 /nfs/dbraw/zinc/11/86/00/170118600.db2.gz IXVYKJDHPJGDHB-UHFFFAOYSA-N 1 0 292.426 3.578 50 0 CHAARO OC[C@@H]1CCC[N@H+](C2CCCCC2)[C@H]1c1ccccc1 ZINC000005775432 170139582 /nfs/dbraw/zinc/13/95/82/170139582.db2.gz OSJBIUWOUITRHG-WMZOPIPTSA-N 1 0 273.420 3.765 50 0 CHAARO CC(C)=CCC[C@H](C)C[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000006182931 170181102 /nfs/dbraw/zinc/18/11/02/170181102.db2.gz BABQJPAGASLVKB-OKZBNKHCSA-N 1 0 295.467 3.986 50 0 CHAARO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000006604152 170218374 /nfs/dbraw/zinc/21/83/74/170218374.db2.gz HJCZAXHJTSFZEY-BXUZGUMPSA-N 1 0 294.826 3.755 50 0 CHAARO CCOc1ccccc1C[NH2+]Cc1ccc(C)cc1 ZINC000006729615 170234855 /nfs/dbraw/zinc/23/48/55/170234855.db2.gz DQWRMRMLAMDZNO-UHFFFAOYSA-N 1 0 255.361 3.684 50 0 CHAARO Cc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000007636277 170294574 /nfs/dbraw/zinc/29/45/74/170294574.db2.gz NCJYCTRTLSFMPL-HNNXBMFYSA-N 1 0 293.451 3.539 50 0 CHAARO Clc1ccc(CSC2=[NH+]CCCN2)c(Cl)c1 ZINC000007760064 170300775 /nfs/dbraw/zinc/30/07/75/170300775.db2.gz RUZYJHTVIONJGU-UHFFFAOYSA-N 1 0 275.204 3.576 50 0 CHAARO CC(=O)Nc1ccc(SCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000008185622 170323473 /nfs/dbraw/zinc/32/34/73/170323473.db2.gz DKQBKQBHSTYJTP-OAHLLOKOSA-N 1 0 292.448 3.612 50 0 CHAARO Cc1ccc(C(=O)O[C@H](C)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000008553292 170340012 /nfs/dbraw/zinc/34/00/12/170340012.db2.gz VMMIODCQIXEPNU-OWCLPIDISA-N 1 0 289.419 3.803 50 0 CHAARO Cc1ccc2[nH]c(C)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008700916 170346611 /nfs/dbraw/zinc/34/66/11/170346611.db2.gz ZPVMQCJVXWHUDI-ZDUSSCGKSA-N 1 0 284.403 3.789 50 0 CHAARO COc1ccc([C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000009047383 170362071 /nfs/dbraw/zinc/36/20/71/170362071.db2.gz LLBTWBHSCBMVQB-RDJZCZTQSA-N 1 0 291.435 3.940 50 0 CHAARO CC(C)(c1ccccc1)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000014632238 170640438 /nfs/dbraw/zinc/64/04/38/170640438.db2.gz RYPLQWRKHHDZAD-SFHVURJKSA-N 1 0 281.399 3.753 50 0 CHAARO CN(Cc1ccccc1)c1ncccc1C[NH2+]C1CCCC1 ZINC000019144254 170753696 /nfs/dbraw/zinc/75/36/96/170753696.db2.gz CYWHEBXVVPFZPE-UHFFFAOYSA-N 1 0 295.430 3.750 50 0 CHAARO CCOc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000019871776 170902232 /nfs/dbraw/zinc/90/22/32/170902232.db2.gz OJCXTYMRMMRWFD-UHFFFAOYSA-N 1 0 273.351 3.557 50 0 CHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C[C@H]3CC=CCC3)CC2)C1 ZINC000019900117 170912255 /nfs/dbraw/zinc/91/22/55/170912255.db2.gz PRIBEPJSCZVEBS-FGTMMUONSA-N 1 0 276.468 3.539 50 0 CHAARO COc1cccc2cc([C@H](C)[NH2+]Cc3cccnc3)oc21 ZINC000020141445 171027472 /nfs/dbraw/zinc/02/74/72/171027472.db2.gz RGKJDKWWIUBNAK-LBPRGKRZSA-N 1 0 282.343 3.687 50 0 CHAARO c1ccc(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)cc2)cc1 ZINC000020477217 171221208 /nfs/dbraw/zinc/22/12/08/171221208.db2.gz QDOXHTUVVNVSEI-FQEVSTJZSA-N 1 0 292.426 3.537 50 0 CHAARO C[NH+](C)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000020775330 171272327 /nfs/dbraw/zinc/27/23/27/171272327.db2.gz NUZNIAKQNQEVBQ-UHFFFAOYSA-N 1 0 293.370 3.508 50 0 CHAARO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1c(C)noc1C ZINC000021720413 171320696 /nfs/dbraw/zinc/32/06/96/171320696.db2.gz XFWJTMCZZXMERQ-CYBMUJFWSA-N 1 0 276.405 3.998 50 0 CHAARO COCCC[NH2+][C@@H](C)CC[C@@H](C)Oc1ccccc1C ZINC000022064852 171351733 /nfs/dbraw/zinc/35/17/33/171351733.db2.gz JKGRVROLTFTBSL-JKSUJKDBSA-N 1 0 279.424 3.557 50 0 CHAARO O[C@H](CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000022215820 171375188 /nfs/dbraw/zinc/37/51/88/171375188.db2.gz YRKGHRWEQRXNBR-RTBURBONSA-N 1 0 281.399 3.600 50 0 CHAARO C[NH2+][C@@H](CN1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000022464818 171388430 /nfs/dbraw/zinc/38/84/30/171388430.db2.gz CFHKBGMDNLXECQ-IBGZPJMESA-N 1 0 280.415 3.710 50 0 CHAARO Clc1ccc(COC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000028521991 171561439 /nfs/dbraw/zinc/56/14/39/171561439.db2.gz YRKZFPQWMLSAGA-JTQLQIEISA-N 1 0 274.191 3.510 50 0 CHAARO C[C@@H](Cc1ccco1)[NH2+]Cc1cccc2cccnc21 ZINC000035254567 172084128 /nfs/dbraw/zinc/08/41/28/172084128.db2.gz XHUKWXHNXCKBQS-ZDUSSCGKSA-N 1 0 266.344 3.549 50 0 CHAARO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257778 172088613 /nfs/dbraw/zinc/08/86/13/172088613.db2.gz CLNWRRSKWPLHBE-MNOVXSKESA-N 1 0 276.302 3.502 50 0 CHAARO CC[C@H]([NH2+]C1CC1)c1cccc(Br)c1 ZINC000037183805 173015957 /nfs/dbraw/zinc/01/59/57/173015957.db2.gz BNGPPIHTVAQZLJ-LBPRGKRZSA-N 1 0 254.171 3.652 50 0 CHAARO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](C)C3)o2)c1 ZINC000039987670 174181428 /nfs/dbraw/zinc/18/14/28/174181428.db2.gz CRUFHUTXHPBMPW-UONOGXRCSA-N 1 0 285.391 3.838 50 0 CHAARO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000039985617 174181460 /nfs/dbraw/zinc/18/14/60/174181460.db2.gz ANKACNPMXRAYMJ-IBGZPJMESA-N 1 0 297.398 3.945 50 0 CHAARO CCC(CC)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000040615115 174353703 /nfs/dbraw/zinc/35/37/03/174353703.db2.gz ACFOCIZQXORZLB-KRWDZBQOSA-N 1 0 290.451 3.622 50 0 CHAARO CC[C@H](C)c1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775056 174873636 /nfs/dbraw/zinc/87/36/36/174873636.db2.gz ANCXXXDTJANCGL-NSHDSACASA-N 1 0 267.800 3.984 50 0 CHAARO CC(C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775011 174873818 /nfs/dbraw/zinc/87/38/18/174873818.db2.gz UZDIUJBBMINLGU-LBPRGKRZSA-N 1 0 253.773 3.594 50 0 CHAARO c1sc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1-c1ccccc1 ZINC000044687556 175232776 /nfs/dbraw/zinc/23/27/76/175232776.db2.gz PRAVSULXWQNCRH-MRXNPFEDSA-N 1 0 298.455 3.741 50 0 CHAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)cc1 ZINC000044729302 175239571 /nfs/dbraw/zinc/23/95/71/175239571.db2.gz SOZKPOXLTUBTOK-GFCCVEGCSA-N 1 0 286.375 3.706 50 0 CHAARO CCC[C@@H](C)[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000045943822 175387500 /nfs/dbraw/zinc/38/75/00/175387500.db2.gz CISKPQLGZJTXSS-GFCCVEGCSA-N 1 0 293.436 3.851 50 0 CHAARO CC(C)C[C@H]([NH2+]C1CCSCC1)c1cccnc1 ZINC000065404553 175730448 /nfs/dbraw/zinc/73/04/48/175730448.db2.gz CVFOITXKLYQVFZ-HNNXBMFYSA-N 1 0 264.438 3.654 50 0 CHAARO Cc1cccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1 ZINC000071761247 176261346 /nfs/dbraw/zinc/26/13/46/176261346.db2.gz ATDYOWPWZYUHOJ-QGZVFWFLSA-N 1 0 296.414 3.837 50 0 CHAARO Fc1ccc([C@@H]([NH2+]Cc2ccncc2)C2CCC2)cc1 ZINC000071857541 176278510 /nfs/dbraw/zinc/27/85/10/176278510.db2.gz QNOBOAKCPQYWBN-KRWDZBQOSA-N 1 0 270.351 3.852 50 0 CHAARO C[N@@H+]1CCC[C@@H](CSc2nnc(C3CCCCC3)o2)C1 ZINC000071886129 176289998 /nfs/dbraw/zinc/28/99/98/176289998.db2.gz MUDHWSTUTDHBPA-GFCCVEGCSA-N 1 0 295.452 3.551 50 0 CHAARO CCOCC[N@@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000072126475 176320445 /nfs/dbraw/zinc/32/04/45/176320445.db2.gz XCYRXWBQYVMAEC-HNNXBMFYSA-N 1 0 297.389 3.646 50 0 CHAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC000072133891 176321846 /nfs/dbraw/zinc/32/18/46/176321846.db2.gz PFFKKLQFQJFEQA-SFHVURJKSA-N 1 0 296.414 3.775 50 0 CHAARO CC(C)c1nccn1Cc1cccc(C[NH+]2CCCC2)c1 ZINC000072147121 176326027 /nfs/dbraw/zinc/32/60/27/176326027.db2.gz OCSVOHSEFJTBJP-UHFFFAOYSA-N 1 0 283.419 3.651 50 0 CHAARO C/C(=C\c1ccccc1)C[NH+]1CC(c2cccnc2)C1 ZINC000072158682 176329435 /nfs/dbraw/zinc/32/94/35/176329435.db2.gz GJNQLPIPQHTCJB-XNTDXEJSSA-N 1 0 264.372 3.584 50 0 CHAARO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2)ccc1O ZINC000072272583 176354932 /nfs/dbraw/zinc/35/49/32/176354932.db2.gz IOWQGQUMEKCZMM-UHFFFAOYSA-N 1 0 291.778 3.686 50 0 CHAARO CCO[C@H]1C[C@H]([NH2+]Cc2cccs2)C12CCCCC2 ZINC000076021626 176877376 /nfs/dbraw/zinc/87/73/76/176877376.db2.gz YNAMHGMOSRGRJM-GJZGRUSLSA-N 1 0 279.449 3.966 50 0 CHAARO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(F)cn1 ZINC000289514932 328254607 /nfs/dbraw/zinc/25/46/07/328254607.db2.gz VGQACQGGRSNHKB-KRWDZBQOSA-N 1 0 288.366 3.812 50 0 CHAARO CCCC[N@H+](C)CCOc1cccc2ccccc21 ZINC000003003641 333326927 /nfs/dbraw/zinc/32/69/27/333326927.db2.gz LMKAHGAZLKIAJD-UHFFFAOYSA-N 1 0 257.377 3.951 50 0 CHAARO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]Cc1cccnc1 ZINC000176636744 335315223 /nfs/dbraw/zinc/31/52/23/335315223.db2.gz VHIMWFDRLBRGBF-MRXNPFEDSA-N 1 0 280.371 3.618 50 0 CHAARO CC(C)Oc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cn1 ZINC000236788065 519779736 /nfs/dbraw/zinc/77/97/36/519779736.db2.gz QKDHCHDATQDJQE-UHFFFAOYSA-N 1 0 295.386 3.640 50 0 CHAARO COC(=O)c1cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c[nH]1 ZINC000067872698 521794558 /nfs/dbraw/zinc/79/45/58/521794558.db2.gz PSTKLMLTLSLSTK-ZDUSSCGKSA-N 1 0 298.386 3.625 50 0 CHAARO Fc1cccc(-c2noc3c2C[N@H+](CC2CCC2)CC3)c1 ZINC000067872428 526381091 /nfs/dbraw/zinc/38/10/91/526381091.db2.gz APNAAQLIZRFMCZ-UHFFFAOYSA-N 1 0 286.350 3.639 50 0 CHAARO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000097016974 529205949 /nfs/dbraw/zinc/20/59/49/529205949.db2.gz MNIAZBORNDDSKR-MWLCHTKSSA-N 1 0 283.828 3.937 50 0 CHAARO C[N@H+](Cc1c(F)cccc1Cl)C1CCSCC1 ZINC000092871108 570255950 /nfs/dbraw/zinc/25/59/50/570255950.db2.gz MRAWTOABBZNVDQ-UHFFFAOYSA-N 1 0 273.804 3.807 50 0 CHAARO Cc1noc(C)c1C[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000052106042 566831184 /nfs/dbraw/zinc/83/11/84/566831184.db2.gz XTNPHRQYYINREA-QGZVFWFLSA-N 1 0 284.403 3.889 50 0 CHAARO CCn1c2ccccc2nc1[C@H](C)[NH2+]C1CCSCC1 ZINC000237223859 566843118 /nfs/dbraw/zinc/84/31/18/566843118.db2.gz HONFKDCTEQCKPX-LBPRGKRZSA-N 1 0 289.448 3.602 50 0 CHAARO FC(F)(F)c1cccc(-c2c[nH]nc2C2CC[NH2+]CC2)c1 ZINC000299781103 566854298 /nfs/dbraw/zinc/85/42/98/566854298.db2.gz DXDXTNAROQLVTK-UHFFFAOYSA-N 1 0 295.308 3.563 50 0 CHAARO C[n+]1ccc(/C=C\c2c(Cl)cccc2Cl)cc1 ZINC000004582354 566865232 /nfs/dbraw/zinc/86/52/32/566865232.db2.gz CPOCPAYGOVJKIF-WAYWQWQTSA-N 1 0 265.163 3.988 50 0 CHAARO FC(F)(F)[C@@H](C[NH+]1CCCCC1)OC1CCCCC1 ZINC000001392942 566868767 /nfs/dbraw/zinc/86/87/67/566868767.db2.gz FSHIPIWVYHEIGI-CYBMUJFWSA-N 1 0 279.346 3.753 50 0 CHAARO C[C@H]([NH2+]CCn1cnc2ccccc21)C1CCCCC1 ZINC000084636441 566886143 /nfs/dbraw/zinc/88/61/43/566886143.db2.gz OVMZKSYQDXZVTP-AWEZNQCLSA-N 1 0 271.408 3.595 50 0 CHAARO C[n+]1ccccc1/C=C/c1c(Cl)cccc1Cl ZINC000025665734 566970198 /nfs/dbraw/zinc/97/01/98/566970198.db2.gz HILYGOLOXTXUTE-CMDGGOBGSA-N 1 0 265.163 3.988 50 0 CHAARO C[C@H]([NH3+])CCc1ccc(-c2cncc(C(F)F)c2)cc1 ZINC000521398666 566977228 /nfs/dbraw/zinc/97/72/28/566977228.db2.gz XKUOSNOBTSLZGR-NSHDSACASA-N 1 0 276.330 3.966 50 0 CHAARO CC1CCC(C[NH2+]CCCOCc2ccco2)CC1 ZINC000089575649 566984862 /nfs/dbraw/zinc/98/48/62/566984862.db2.gz IHNWOTKWAQXLMT-UHFFFAOYSA-N 1 0 265.397 3.602 50 0 CHAARO C[C@@H](c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[NH+]1CCCCC1 ZINC000426428867 566988439 /nfs/dbraw/zinc/98/84/39/566988439.db2.gz HKDPLSMJOAZXJQ-ZDUSSCGKSA-N 1 0 296.418 3.896 50 0 CHAARO C[C@@H]([NH2+]Cc1cc[nH]n1)C(c1ccccc1)c1ccccc1 ZINC000064621293 566991756 /nfs/dbraw/zinc/99/17/56/566991756.db2.gz ZJCQVKXFUTZIFN-OAHLLOKOSA-N 1 0 291.398 3.720 50 0 CHAARO C[C@H](c1cccc(-c2[nH]nc3ncccc32)c1)[NH+]1CCCC1 ZINC000426667669 566992123 /nfs/dbraw/zinc/99/21/23/566992123.db2.gz WSXHLPWRPHANBG-CYBMUJFWSA-N 1 0 292.386 3.782 50 0 CHAARO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C)cc1 ZINC000036101756 566993244 /nfs/dbraw/zinc/99/32/44/566993244.db2.gz FEVSLFPCNNRKPG-IBGZPJMESA-N 1 0 283.415 3.768 50 0 CHAARO COc1cccc2c1SCc1ccccc1[C@@H]2C[NH+](C)C ZINC000002021860 566999475 /nfs/dbraw/zinc/99/94/75/566999475.db2.gz OMKCSQWWLSDBSG-INIZCTEOSA-N 1 0 299.439 3.994 50 0 CHAARO c1ccc(CN2CCC[C@@H]([NH2+]C3CCCCCC3)C2)cc1 ZINC000036904545 567008825 /nfs/dbraw/zinc/00/88/25/567008825.db2.gz DBGGASDASAGILN-LJQANCHMSA-N 1 0 286.463 3.963 50 0 CHAARO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000090221401 567032282 /nfs/dbraw/zinc/03/22/82/567032282.db2.gz CADFGZXNISJCCV-BLVKFPJESA-N 1 0 293.457 3.645 50 0 CHAARO CCOc1ccccc1OCCC[NH2+]Cc1ccccc1 ZINC000002822631 567037212 /nfs/dbraw/zinc/03/72/12/567037212.db2.gz BYFXERFODMGPTP-UHFFFAOYSA-N 1 0 285.387 3.644 50 0 CHAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C[C@H]1C ZINC000252477858 567056847 /nfs/dbraw/zinc/05/68/47/567056847.db2.gz WNQZBQCCYVWQBJ-VNQPRFMTSA-N 1 0 295.467 3.913 50 0 CHAARO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000252486916 567057654 /nfs/dbraw/zinc/05/76/54/567057654.db2.gz OJLYCWOBLDGNPS-IWCQGFGOSA-N 1 0 259.393 3.542 50 0 CHAARO CC[C@H]1CC[N@H+](CCCc2nc3ccccc3o2)[C@H]1C ZINC000252515662 567062343 /nfs/dbraw/zinc/06/23/43/567062343.db2.gz MLEANKHUJMHCKQ-KBPBESRZSA-N 1 0 272.392 3.881 50 0 CHAARO CCC[NH2+]CC[C@@H](c1ccco1)c1ccccc1OC ZINC000002451165 567116245 /nfs/dbraw/zinc/11/62/45/567116245.db2.gz SNTRWRFPXFTCOV-OAHLLOKOSA-N 1 0 273.376 3.810 50 0 CHAARO CC(C)CSC[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000095419213 567131700 /nfs/dbraw/zinc/13/17/00/567131700.db2.gz JNGLMTALZAJMGS-OLZOCXBDSA-N 1 0 252.427 3.510 50 0 CHAARO COc1cc2c(cc1OC)[C@@H](/C=C/c1ccccc1)[NH2+]CC2 ZINC000020113675 567125128 /nfs/dbraw/zinc/12/51/28/567125128.db2.gz KGEKIHDPYHWCFB-KBOKABMXSA-N 1 0 295.382 3.604 50 0 biogenic CHAARO CC[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1 ZINC000095421034 567132056 /nfs/dbraw/zinc/13/20/56/567132056.db2.gz RFKUVNHDGHLCFX-AWEZNQCLSA-N 1 0 289.379 3.776 50 0 CHAARO C[C@@H]([NH2+]CCc1ccccc1)c1cccnc1Cl ZINC000095419228 567132313 /nfs/dbraw/zinc/13/23/13/567132313.db2.gz KLNUOYPEVWTLGB-GFCCVEGCSA-N 1 0 260.768 3.628 50 0 CHAARO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)o1 ZINC000095968424 567136474 /nfs/dbraw/zinc/13/64/74/567136474.db2.gz XOZDYDXWMSJQLP-OAHLLOKOSA-N 1 0 299.418 3.611 50 0 CHAARO CCCC[NH2+]C[C@H]1COc2c(C)cc(Cl)c(C)c2C1=O ZINC000096026842 567138200 /nfs/dbraw/zinc/13/82/00/567138200.db2.gz WDRDIOBNUTZOIX-LBPRGKRZSA-N 1 0 295.810 3.538 50 0 CHAARO c1ccc(C[NH+]2CCC3(CC2)COCc2ccccc23)cc1 ZINC000029570720 567156599 /nfs/dbraw/zinc/15/65/99/567156599.db2.gz BDQSEUUZQUPTHA-UHFFFAOYSA-N 1 0 293.410 3.751 50 0 CHAARO C[N@H+](CCC(F)(F)F)Cc1ccc(Br)cc1 ZINC000057595721 567161046 /nfs/dbraw/zinc/16/10/46/567161046.db2.gz RNWZZHBTKCJYTK-UHFFFAOYSA-N 1 0 296.130 3.833 50 0 CHAARO FC(F)(F)c1ccc2sc([C@@H]3CCC[NH2+]3)nc2c1 ZINC000004219233 567191771 /nfs/dbraw/zinc/19/17/71/567191771.db2.gz PCNZBAFICKOFAW-QMMMGPOBSA-N 1 0 272.295 3.740 50 0 CHAARO COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000000300153 567824549 /nfs/dbraw/zinc/82/45/49/567824549.db2.gz SDOUSMKUUPQSOF-UHFFFAOYSA-N 1 0 261.752 3.638 50 0 CHAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccccn1 ZINC000000360728 567826826 /nfs/dbraw/zinc/82/68/26/567826826.db2.gz RUEHSERTEJEXOR-UHFFFAOYSA-N 1 0 278.355 3.533 50 0 CHAARO O=C(C[NH+]1CCCCC1)Nc1ccccc1-c1ccccc1 ZINC000000411752 567829767 /nfs/dbraw/zinc/82/97/67/567829767.db2.gz IUMPKKHXRMESGY-UHFFFAOYSA-N 1 0 294.398 3.778 50 0 CHAARO CCCCCC[C@H](C(=O)OC(C)C)[NH+]1CCCCC1 ZINC000096026413 567835126 /nfs/dbraw/zinc/83/51/26/567835126.db2.gz RTFRDOBETQOWMF-OAHLLOKOSA-N 1 0 269.429 3.763 50 0 CHAARO CCCCN(C(=O)c1ccccc1)C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000002024816 567844200 /nfs/dbraw/zinc/84/42/00/567844200.db2.gz ZHNFHDHZGDOFNK-SJORKVTESA-N 1 0 298.430 3.679 50 0 CHAARO Cc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000002380264 567845429 /nfs/dbraw/zinc/84/54/29/567845429.db2.gz UDUUUUSYPJGWMB-UHFFFAOYSA-N 1 0 264.372 3.809 50 0 biogenic CHAARO [NH3+]CCCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000002349896 567845506 /nfs/dbraw/zinc/84/55/06/567845506.db2.gz BIOXKMKFXILXJE-UHFFFAOYSA-N 1 0 284.384 3.555 50 0 CHAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000002497449 567846294 /nfs/dbraw/zinc/84/62/94/567846294.db2.gz SLKXXSXUKFOWKK-KBPBESRZSA-N 1 0 281.415 3.676 50 0 CHAARO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000002527486 567847740 /nfs/dbraw/zinc/84/77/40/567847740.db2.gz GSXAISCLDOQZOQ-CQSZACIVSA-N 1 0 292.176 3.506 50 0 CHAARO FC(F)(F)c1ccccc1C[NH2+]Cc1ccco1 ZINC000002554114 567848118 /nfs/dbraw/zinc/84/81/18/567848118.db2.gz OLDURQPCFBLLTL-UHFFFAOYSA-N 1 0 255.239 3.588 50 0 CHAARO CCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000002839456 567849607 /nfs/dbraw/zinc/84/96/07/567849607.db2.gz ZVIBHVIOQGSGLQ-UHFFFAOYSA-N 1 0 261.409 3.894 50 0 CHAARO CCCC[NH2+]CCCOc1ccc(Cl)c(C)c1 ZINC000002900887 567850335 /nfs/dbraw/zinc/85/03/35/567850335.db2.gz CYKMRVAVUSQMRJ-UHFFFAOYSA-N 1 0 255.789 3.807 50 0 CHAARO Cc1cc(Cl)ccc1OCCCC[NH+]1CCCC1 ZINC000002933091 567850634 /nfs/dbraw/zinc/85/06/34/567850634.db2.gz VTYIVXNWHNONND-UHFFFAOYSA-N 1 0 267.800 3.903 50 0 CHAARO c1ccc2cc(OCCCC[NH2+]C[C@@H]3CCCO3)ccc2c1 ZINC000003000856 567850840 /nfs/dbraw/zinc/85/08/40/567850840.db2.gz FONWJGNXLRJIPB-IBGZPJMESA-N 1 0 299.414 3.767 50 0 CHAARO CCc1ccc(-c2csc3nc(C)cc(C)[n+]23)cc1 ZINC000003012672 567851459 /nfs/dbraw/zinc/85/14/59/567851459.db2.gz NHHKUBSMLAMKBC-UHFFFAOYSA-N 1 0 269.393 3.728 50 0 CHAARO Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1F ZINC000067120108 567855393 /nfs/dbraw/zinc/85/53/93/567855393.db2.gz JPABQGRRIYKFLR-UHFFFAOYSA-N 1 0 265.278 3.702 50 0 CHAARO C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000004277411 567856741 /nfs/dbraw/zinc/85/67/41/567856741.db2.gz IBCDDBBGPGTKNC-UHFFFAOYSA-N 1 0 272.295 3.548 50 0 CHAARO Cc1ccccc1CC[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000012316722 567862813 /nfs/dbraw/zinc/86/28/13/567862813.db2.gz QCKDVNJBNBPFOS-MRXNPFEDSA-N 1 0 283.419 3.563 50 0 CHAARO O=C(/C=C/c1ccccc1)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013465602 567866276 /nfs/dbraw/zinc/86/62/76/567866276.db2.gz ZSWODZQPBXFMTI-HGFSOSMJSA-N 1 0 299.414 3.508 50 0 CHAARO c1ccc(C[NH2+]Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000013731515 567867598 /nfs/dbraw/zinc/86/75/98/567867598.db2.gz YADQBWTVIGOQBD-UHFFFAOYSA-N 1 0 291.354 3.559 50 0 CHAARO CC(C)(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000014632335 567869469 /nfs/dbraw/zinc/86/94/69/567869469.db2.gz IYHQRTMRPDGNJQ-HNNXBMFYSA-N 1 0 261.409 3.895 50 0 CHAARO COc1ccc2cc(C[NH2+]Cc3cccc(O)c3)ccc2c1 ZINC000032891494 567870528 /nfs/dbraw/zinc/87/05/28/567870528.db2.gz JNZPLUZUVMQXPU-UHFFFAOYSA-N 1 0 293.366 3.844 50 0 CHAARO Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000019220080 567877184 /nfs/dbraw/zinc/87/71/84/567877184.db2.gz GGHNDQZFMWYFHL-GOSISDBHSA-N 1 0 282.387 3.606 50 0 CHAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000019637432 567877979 /nfs/dbraw/zinc/87/79/79/567877979.db2.gz ZQDARDVOOYNGKW-IDIDMLECSA-N 1 0 298.474 3.896 50 0 CHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000019637424 567878062 /nfs/dbraw/zinc/87/80/62/567878062.db2.gz ZQDARDVOOYNGKW-FXOUOLKJSA-N 1 0 298.474 3.896 50 0 CHAARO Fc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000019720612 567878555 /nfs/dbraw/zinc/87/85/55/567878555.db2.gz FFGOXYDHQFDUBS-UHFFFAOYSA-N 1 0 268.335 3.639 50 0 biogenic CHAARO Cc1ccccc1CN1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000019789328 567879026 /nfs/dbraw/zinc/87/90/26/567879026.db2.gz JJINYRCDIFJXFF-QFBILLFUSA-N 1 0 286.463 3.691 50 0 CHAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3F)CC2)C1 ZINC000019842429 567879096 /nfs/dbraw/zinc/87/90/96/567879096.db2.gz YQJPGSDHPPYAJK-DOTOQJQBSA-N 1 0 290.426 3.522 50 0 CHAARO CC(C)CC[NH2+]Cc1ccccc1Br ZINC000019912177 567879580 /nfs/dbraw/zinc/87/95/80/567879580.db2.gz LYVGTLICXGLZBX-UHFFFAOYSA-N 1 0 256.187 3.585 50 0 CHAARO CSc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000019871925 567879801 /nfs/dbraw/zinc/87/98/01/567879801.db2.gz OCQALEMKXRWSOR-UHFFFAOYSA-N 1 0 257.402 3.741 50 0 CHAARO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(F)cc1 ZINC000019957863 567879931 /nfs/dbraw/zinc/87/99/31/567879931.db2.gz PGRKEHDQDLLYOH-QGZVFWFLSA-N 1 0 280.346 3.851 50 0 CHAARO Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)o1 ZINC000023257934 567881728 /nfs/dbraw/zinc/88/17/28/567881728.db2.gz ZPLDIBJXBZZPMM-HNNXBMFYSA-N 1 0 290.432 3.576 50 0 CHAARO Cc1cc(C)cc([C@H](N)[C@@H]([NH3+])c2cc(C)cc(C)c2)c1 ZINC000034050831 567886965 /nfs/dbraw/zinc/88/69/65/567886965.db2.gz POWCVEXEFGJWNW-ROUUACIJSA-N 1 0 268.404 3.620 50 0 CHAARO CCC[N@H+](CCO)Cc1cccc(Oc2ccccc2)c1 ZINC000004989149 567888482 /nfs/dbraw/zinc/88/84/82/567888482.db2.gz QACFCBHXIAUJAM-UHFFFAOYSA-N 1 0 285.387 3.683 50 0 CHAARO C[C@@H]1C[N@H+](C2CCC(c3ccccc3)CC2)C[C@H](C)O1 ZINC000023283000 567888684 /nfs/dbraw/zinc/88/86/84/567888684.db2.gz YWHAEDFZOJVVRV-BXXOZEPKSA-N 1 0 273.420 3.822 50 0 CHAARO CC(C)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000037927269 567890271 /nfs/dbraw/zinc/89/02/71/567890271.db2.gz FJWSTZJSDQOYIE-UHFFFAOYSA-N 1 0 276.605 3.848 50 0 CHAARO Clc1ccc(Cl)c(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772345 567891525 /nfs/dbraw/zinc/89/15/25/567891525.db2.gz ICLODPRFMAXAJD-JTQLQIEISA-N 1 0 274.191 3.762 50 0 CHAARO Cc1ccc(Cl)c(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000042772376 567891570 /nfs/dbraw/zinc/89/15/70/567891570.db2.gz VEWSQFRLEQRDEJ-GFCCVEGCSA-N 1 0 253.773 3.559 50 0 CHAARO CC[C@H](C)c1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772478 567891696 /nfs/dbraw/zinc/89/16/96/567891696.db2.gz XYFBXOLZRMMDCB-GJZGRUSLSA-N 1 0 261.409 3.969 50 0 CHAARO CCc1cc(OCC[C@@H]2CCCC[NH2+]2)ccc1Cl ZINC000042771490 567891719 /nfs/dbraw/zinc/89/17/19/567891719.db2.gz BHZDVRDPNPOFAN-ZDUSSCGKSA-N 1 0 267.800 3.813 50 0 CHAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042774927 567892064 /nfs/dbraw/zinc/89/20/64/567892064.db2.gz HMURCQJHEBYPBB-CQSZACIVSA-N 1 0 261.409 3.671 50 0 CHAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000065369853 567898717 /nfs/dbraw/zinc/89/87/17/567898717.db2.gz HFQWSPCKXVZCES-VSOYFRJCSA-N 1 0 268.360 3.915 50 0 CHAARO OCc1ccccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065470486 567899533 /nfs/dbraw/zinc/89/95/33/567899533.db2.gz MBTIUZKVXPRDMO-UHFFFAOYSA-N 1 0 281.399 3.832 50 0 CHAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000067712757 567900269 /nfs/dbraw/zinc/90/02/69/567900269.db2.gz LCHDYXNUZRONQV-SNVBAGLBSA-N 1 0 295.814 3.510 50 0 CHAARO C[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1 ZINC000004678800 567901380 /nfs/dbraw/zinc/90/13/80/567901380.db2.gz VYMBQQUKOQCQCF-UHFFFAOYSA-N 1 0 277.371 3.709 50 0 CHAARO C[C@H](c1cccnc1)[N@H+](C)Cc1c[nH]c2cc(=O)ccc-2c1 ZINC000071761520 567901851 /nfs/dbraw/zinc/90/18/51/567901851.db2.gz FPQSWLSFUAOZEM-CYBMUJFWSA-N 1 0 293.370 3.528 50 0 CHAARO N[C@H](c1ccccc1Cl)[C@H]([NH3+])c1ccccc1Cl ZINC000073629599 567903358 /nfs/dbraw/zinc/90/33/58/567903358.db2.gz BMALUZKOHRPBTN-ZIAGYGMSSA-N 1 0 281.186 3.693 50 0 CHAARO CO[C@@H](C)c1cccc(N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000097045956 567903727 /nfs/dbraw/zinc/90/37/27/567903727.db2.gz DPSWZMCJXIQDMK-KGLIPLIRSA-N 1 0 276.424 3.536 50 0 CHAARO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000097161698 567905591 /nfs/dbraw/zinc/90/55/91/567905591.db2.gz XOIGJZNMUKOSIX-KRWDZBQOSA-N 1 0 287.378 3.599 50 0 CHAARO COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1C)[NH2+]CC2 ZINC000000053488 567905886 /nfs/dbraw/zinc/90/58/86/567905886.db2.gz BEOKKQIJBNZWBW-LJQANCHMSA-N 1 0 297.398 3.556 50 0 CHAARO Cc1coc(-c2cccc(N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2)n1 ZINC000097232192 567905894 /nfs/dbraw/zinc/90/58/94/567905894.db2.gz NWIFTSMLJPWXKM-DXCKQFNASA-N 1 0 299.418 3.791 50 0 CHAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219844 567907259 /nfs/dbraw/zinc/90/72/59/567907259.db2.gz LXYMFAYJMOBJLG-UHFFFAOYSA-N 1 0 276.605 3.991 50 0 CHAARO Cc1ccc(C)c(C[NH+]2CCC(c3ccnc(C)n3)CC2)c1 ZINC000097324084 567910535 /nfs/dbraw/zinc/91/05/35/567910535.db2.gz PFVBTCZHQZDGCX-UHFFFAOYSA-N 1 0 295.430 3.781 50 0 CHAARO COc1c(C)cc(-c2ccc(C[NH+]3CCCC3)cn2)cc1C ZINC000097463613 567910674 /nfs/dbraw/zinc/91/06/74/567910674.db2.gz YZEFHUBJBYYRBO-UHFFFAOYSA-N 1 0 296.414 3.970 50 0 CHAARO COCC[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000097784936 567911264 /nfs/dbraw/zinc/91/12/64/567911264.db2.gz BPPWQYLDJWBAJP-MRXNPFEDSA-N 1 0 261.409 3.552 50 0 CHAARO Cc1ccc([C@H](CC[NH3+])[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000201907 567924964 /nfs/dbraw/zinc/92/49/64/567924964.db2.gz GXWXGJWPSDTAAG-CVEARBPZSA-N 1 0 261.409 3.633 50 0 biogenic CHAARO C[C@@]12CCCC[N@@H+]1CCCc1c3ccccc3[nH]c12 ZINC000000331084 567926729 /nfs/dbraw/zinc/92/67/29/567926729.db2.gz SSVYQKVUSXFNFY-KRWDZBQOSA-N 1 0 254.377 3.815 50 0 CHAARO C[NH+](C)CCC[C@]1(O)CCCC[C@@H]1Sc1ccccc1 ZINC000000346343 567927078 /nfs/dbraw/zinc/92/70/78/567927078.db2.gz PEKSNELRDZFZJS-DLBZAZTESA-N 1 0 293.476 3.794 50 0 CHAARO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc2c(s1)CCC2 ZINC000166286739 567927645 /nfs/dbraw/zinc/92/76/45/567927645.db2.gz COGVIGNXRLVBQL-SGMGOOAPSA-N 1 0 290.476 3.513 50 0 CHAARO COc1ccc(C[N@H+](C)[C@@H]2C[C@H]2c2ccccc2)c(OC)c1 ZINC000252537116 567930140 /nfs/dbraw/zinc/93/01/40/567930140.db2.gz KIQHISXRKJPWKZ-ZWKOTPCHSA-N 1 0 297.398 3.692 50 0 CHAARO c1sc(C[NH2+]CCc2ccccn2)nc1-c1ccccc1 ZINC000061680726 567931259 /nfs/dbraw/zinc/93/12/59/567931259.db2.gz TYGNDFKKYLLGEL-UHFFFAOYSA-N 1 0 295.411 3.537 50 0 CHAARO CCCC[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 ZINC000017249175 567935038 /nfs/dbraw/zinc/93/50/38/567935038.db2.gz HYUPNUOGNLMOIA-UHFFFAOYSA-N 1 0 275.803 3.842 50 0 CHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000000238835 567935620 /nfs/dbraw/zinc/93/56/20/567935620.db2.gz MUFRKDZYGUPQFZ-QGZVFWFLSA-N 1 0 289.419 3.585 50 0 CHAARO C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000000360074 567935947 /nfs/dbraw/zinc/93/59/47/567935947.db2.gz SXAJNLDRZDCMSG-UHFFFAOYSA-N 1 0 279.742 3.778 50 0 CHAARO Cc1cc(C)n(-c2c3ccccc3[nH+]c3c2CCCC3)n1 ZINC000000550460 567943113 /nfs/dbraw/zinc/94/31/13/567943113.db2.gz DHRLXSMJNKBHBM-UHFFFAOYSA-N 1 0 277.371 3.916 50 0 CHAARO CCC1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019608887 567944815 /nfs/dbraw/zinc/94/48/15/567944815.db2.gz MZDDKNFLVZHZCP-UHFFFAOYSA-N 1 0 286.463 3.773 50 0 CHAARO CCc1nn(C)c(Cl)c1CN(C)Cc1sccc1C ZINC000218820378 567948043 /nfs/dbraw/zinc/94/80/43/567948043.db2.gz MZDSSPYAMLYNDF-UHFFFAOYSA-N 1 0 297.855 3.638 50 0 CHAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(F)cc1 ZINC000000819101 567948286 /nfs/dbraw/zinc/94/82/86/567948286.db2.gz BPOLNIQRAQRPDW-UHFFFAOYSA-N 1 0 299.324 3.977 50 0 CHAARO COc1ccccc1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000028924766 567953987 /nfs/dbraw/zinc/95/39/87/567953987.db2.gz DSGGKXGBKPNQTK-CYBMUJFWSA-N 1 0 298.386 3.504 50 0 CHAARO FC(F)n1ccnc1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000119191545 570235109 /nfs/dbraw/zinc/23/51/09/570235109.db2.gz VJCFSCNXQDBVIN-UONOGXRCSA-N 1 0 291.345 3.704 50 0 CHAARO CC(C)C[N@H+](C/C=C/c1ccco1)Cc1ccccn1 ZINC000055132889 570241255 /nfs/dbraw/zinc/24/12/55/570241255.db2.gz JKKDJDWENJSBRC-VMPITWQZSA-N 1 0 270.376 3.846 50 0 CHAARO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1ccc(Cl)nc1 ZINC000055245051 570241968 /nfs/dbraw/zinc/24/19/68/570241968.db2.gz MUUHWCIPLGKCDS-ZDUSSCGKSA-N 1 0 289.810 3.931 50 0 CHAARO CCCC[C@H]1C=CCN1Cc1csc(C(C)=O)c1 ZINC000215102094 570302258 /nfs/dbraw/zinc/30/22/58/570302258.db2.gz BVPVXKCRPDQWJJ-AWEZNQCLSA-N 1 0 263.406 3.881 50 0 CHAARO CCCC[C@@H]1C=CCN1Cc1csc(C(C)=O)c1 ZINC000215102045 570302337 /nfs/dbraw/zinc/30/23/37/570302337.db2.gz BVPVXKCRPDQWJJ-CQSZACIVSA-N 1 0 263.406 3.881 50 0 CHAARO CCc1ncc(C[N@@H+]2CCC[C@H](c3cccc(C)c3)C2)cn1 ZINC000215176956 570302354 /nfs/dbraw/zinc/30/23/54/570302354.db2.gz XYDPYKPOWZPBCD-SFHVURJKSA-N 1 0 295.430 3.727 50 0 CHAARO CSCCC[N@@H+]1CCCC[C@H]1CCc1cccc(O)c1 ZINC000215731580 570303652 /nfs/dbraw/zinc/30/36/52/570303652.db2.gz FNXFNECDOPDCPB-INIZCTEOSA-N 1 0 293.476 3.932 50 0 CHAARO C[N@@H+](Cc1cccc2cccnc21)C[C@@H]1CCOC(C)(C)C1 ZINC000216013442 570304731 /nfs/dbraw/zinc/30/47/31/570304731.db2.gz PLTYVQDQPGHEBV-OAHLLOKOSA-N 1 0 298.430 3.872 50 0 CHAARO CS[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000685939693 570318279 /nfs/dbraw/zinc/31/82/79/570318279.db2.gz WSOISFYZZFTNCM-RAIGVLPGSA-N 1 0 282.478 3.703 50 0 CHAARO Cc1cnn(CCC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000244874500 570321097 /nfs/dbraw/zinc/32/10/97/570321097.db2.gz XCKCJTDIQRMMGS-KRWDZBQOSA-N 1 0 287.382 3.558 50 0 CHAARO CSc1ccc(C[NH2+]Cc2cccc3c[nH]nc32)cc1 ZINC000084017384 570334132 /nfs/dbraw/zinc/33/41/32/570334132.db2.gz APDAFSJURGATSU-UHFFFAOYSA-N 1 0 283.400 3.575 50 0 CHAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ccco1 ZINC000036657776 570361519 /nfs/dbraw/zinc/36/15/19/570361519.db2.gz ODQJVHGHVVRQMH-UHFFFAOYSA-N 1 0 272.323 3.541 50 0 CHAARO CC[NH+](CC)Cc1ccccc1NCc1c(C)noc1C ZINC000037090979 570362592 /nfs/dbraw/zinc/36/25/92/570362592.db2.gz BAGFHZDWDREJBK-UHFFFAOYSA-N 1 0 287.407 3.745 50 0 CHAARO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000170616765 570363208 /nfs/dbraw/zinc/36/32/08/570363208.db2.gz PZTJABGYETUPEC-UXLLHSPISA-N 1 0 288.435 3.799 50 0 CHAARO Cc1cnc([C@@H]([NH2+][C@@H](C)CC2CC2)C2CC2)s1 ZINC000089702393 570368144 /nfs/dbraw/zinc/36/81/44/570368144.db2.gz ZIJNHJWXOBVNAI-ZANVPECISA-N 1 0 250.411 3.681 50 0 CHAARO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1cnn(C)c1 ZINC000095421533 570371816 /nfs/dbraw/zinc/37/18/16/570371816.db2.gz JCRHAKYNJRCVAR-GUYCJALGSA-N 1 0 269.392 3.538 50 0 CHAARO CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000253396542 570384938 /nfs/dbraw/zinc/38/49/38/570384938.db2.gz YLMHAMAONCKVHM-ZTTBQOKTSA-N 1 0 297.508 3.625 50 0 CHAARO CC[C@H](C)[C@H]([NH2+]Cc1nccn1C)c1ccc(Cl)cc1 ZINC000253417921 570385333 /nfs/dbraw/zinc/38/53/33/570385333.db2.gz NIKWKRILYGAPOL-LRDDRELGSA-N 1 0 291.826 3.951 50 0 CHAARO Cc1cc2oc(=O)cc(C[NH+]3CCCCCC3)c2cc1C ZINC000002616638 570396975 /nfs/dbraw/zinc/39/69/75/570396975.db2.gz FLECHRAABWTVQW-UHFFFAOYSA-N 1 0 285.387 3.786 50 0 CHAARO Cc1ccc2c(C[NH+]3CCCCCC3)cc(=O)oc2c1C ZINC000002726646 570398354 /nfs/dbraw/zinc/39/83/54/570398354.db2.gz QRSROKVQOCTOAC-UHFFFAOYSA-N 1 0 285.387 3.786 50 0 CHAARO CSCCC[NH2+][C@@H]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000952977986 617235587 /nfs/dbraw/zinc/23/55/87/617235587.db2.gz WQEZAGUHZUVPOL-MMFDQKDXSA-N 1 0 253.455 3.544 50 0 CHAARO CCSc1ccccc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000952983624 615364522 /nfs/dbraw/zinc/36/45/22/615364522.db2.gz PVECOBBOJWHZDF-UHFFFAOYSA-N 1 0 292.448 3.612 50 0 CHAARO