smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCCC[NH3+])c2ccc(Cl)c(Cl)c2n1 ZINC000222689079 230398352 /nfs/dbraw/zinc/39/83/52/230398352.db2.gz FCQNBMHAQDPSNA-UHFFFAOYSA-N 1 0 284.190 3.611 40 0 CHABRO CC(C)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047898 185072441 /nfs/dbraw/zinc/07/24/41/185072441.db2.gz QPMSFUGQSTYCKY-CQSZACIVSA-N 1 0 279.449 3.775 40 0 CHABRO Fc1ccc(C[NH2+]Cc2ccc(Cl)cc2)s1 ZINC000256049835 190003111 /nfs/dbraw/zinc/00/31/11/190003111.db2.gz BRDFYUIBKOEHBE-UHFFFAOYSA-N 1 0 255.745 3.830 40 0 CHABRO C[C@@H]([NH3+])COc1ccccc1Oc1cccc(Cl)c1 ZINC000257313019 190031594 /nfs/dbraw/zinc/03/15/94/190031594.db2.gz UQQIKJMIVVIFFF-LLVKDONJSA-N 1 0 277.751 3.858 40 0 CHABRO Cc1cc(N(C)C)ncc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218669 256708177 /nfs/dbraw/zinc/70/81/77/256708177.db2.gz XKSDZYINVYPGIZ-SFHVURJKSA-N 1 0 295.430 3.793 40 0 CHABRO c1ccc2c(c1)cccc2-c1cc[n+]2ccccc2n1 ZINC000002556055 169808472 /nfs/dbraw/zinc/80/84/72/169808472.db2.gz QYHKTZFWVWTFAG-UHFFFAOYSA-N 1 0 257.316 3.641 40 0 CHABRO C[n+]1ccccc1/C=C\c1csc2ccccc12 ZINC000004990951 170050492 /nfs/dbraw/zinc/05/04/92/170050492.db2.gz NTFUSCBAVUOWHS-KTKRTIGZSA-N 1 0 252.362 3.896 40 0 CHABRO c1ccc2c(c1)oc1c2ncnc1Nc1cc[nH+]cc1 ZINC000005338590 170087236 /nfs/dbraw/zinc/08/72/36/170087236.db2.gz WTWVSEWKPMDNPF-UHFFFAOYSA-N 1 0 262.272 3.515 40 0 CHABRO C(OC1CCCCC1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005382501 170092314 /nfs/dbraw/zinc/09/23/14/170092314.db2.gz DBTLXFQLEFJHCH-GOEBONIOSA-N 1 0 251.414 3.600 40 0 biogenic,in-vitro CHABRO [NH3+]Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000005766896 170138762 /nfs/dbraw/zinc/13/87/62/170138762.db2.gz MBOVGJIFTRTTFH-UHFFFAOYSA-N 1 0 251.251 3.831 40 0 CHABRO C[C@@H]([NH2+]Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000007519305 170288053 /nfs/dbraw/zinc/28/80/53/170288053.db2.gz AOXHXNXGJDPPBV-JISDDCRVSA-N 1 0 259.393 3.974 40 0 CHABRO C[C@@H]([NH2+]Cc1cccn1C)C12CC3CC(CC(C3)C1)C2 ZINC000008534892 170339132 /nfs/dbraw/zinc/33/91/32/170339132.db2.gz OXRFHJIEIVDZTP-ZZFFKQLHSA-N 1 0 272.436 3.720 40 0 CHABRO CCCCOc1ccc(C[NH2+][C@@H](C)CC)cc1OC ZINC000032114235 171707977 /nfs/dbraw/zinc/70/79/77/171707977.db2.gz SHVRMTFGDPFBLU-ZDUSSCGKSA-N 1 0 265.397 3.762 40 0 CHABRO C[NH2+][C@H](Cc1ccccc1)c1ccc(Br)cc1 ZINC000035463038 172210841 /nfs/dbraw/zinc/21/08/41/172210841.db2.gz AAFFPYMHLOUAIZ-OAHLLOKOSA-N 1 0 290.204 3.952 40 0 CHABRO C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072348570 176373435 /nfs/dbraw/zinc/37/34/35/176373435.db2.gz AVNFRMNLXUIGIJ-OAHLLOKOSA-N 1 0 284.378 3.621 40 0 CHABRO Cc1cccc(Cc2cccc([C@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072348568 176373593 /nfs/dbraw/zinc/37/35/93/176373593.db2.gz ADWGYSTZYWEQKD-KRWDZBQOSA-N 1 0 280.415 3.790 40 0 CHABRO C[NH+]1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072348571 176373764 /nfs/dbraw/zinc/37/37/64/176373764.db2.gz GHGONBYSHAKIOK-UHFFFAOYSA-N 1 0 284.378 3.621 40 0 CHABRO FC(F)(F)c1cccc(C[C@H]2CCCC[NH2+]C2)c1 ZINC000077293317 177250088 /nfs/dbraw/zinc/25/00/88/177250088.db2.gz BZXFUGGMUMPWMJ-GFCCVEGCSA-N 1 0 257.299 3.638 40 0 in-vitro CHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccs2)cc1 ZINC000000568241 528192154 /nfs/dbraw/zinc/19/21/54/528192154.db2.gz OQCFVTIYCOZMJZ-UHFFFAOYSA-N 1 0 288.416 3.842 40 0 CHABRO CC[NH+]1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 ZINC000225824847 528989972 /nfs/dbraw/zinc/98/99/72/528989972.db2.gz WOJRULMQFXMWON-UHFFFAOYSA-N 1 0 295.382 3.660 40 0 CHABRO CC[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)CC)c(OC)c1 ZINC000066116160 570245012 /nfs/dbraw/zinc/24/50/12/570245012.db2.gz FYSYRBSXBBTMKZ-CHWSQXEVSA-N 1 0 265.397 3.761 40 0 CHABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)C1 ZINC000019806666 566879951 /nfs/dbraw/zinc/87/99/51/566879951.db2.gz GKTKLFLXYDSQAX-MFKMUULPSA-N 1 0 287.234 3.725 40 0 CHABRO CC(C)[NH2+]CCCCCNc1cc(O)cc2cccnc21 ZINC000001653205 566996982 /nfs/dbraw/zinc/99/69/82/566996982.db2.gz FCQZEZCNARMPGO-UHFFFAOYSA-N 1 0 287.407 3.521 40 0 CHABRO Clc1cc2nc(C3CC[NH2+]CC3)oc2c(Cl)c1 ZINC000062541562 567220190 /nfs/dbraw/zinc/22/01/90/567220190.db2.gz YIUIUEOYYHOXQF-UHFFFAOYSA-N 1 0 271.147 3.602 40 0 CHABRO O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)C1CCCC1 ZINC000000000199 567816563 /nfs/dbraw/zinc/81/65/63/567816563.db2.gz SWRUZBWLEWHWRI-IBGZPJMESA-N 1 0 287.447 3.940 40 0 world CHABRO O[C@H](c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000001481850 567837725 /nfs/dbraw/zinc/83/77/25/567837725.db2.gz AXNGJCOYCMDPQG-HXUWFJFHSA-N 1 0 295.426 3.675 40 0 in-man CHABRO O[C@@H]1c2c(ccc3ccccc32)CC[C@@H]1[NH+]1CCCCC1 ZINC000001569694 567837859 /nfs/dbraw/zinc/83/78/59/567837859.db2.gz BYQHQQHJLPNULE-HKUYNNGSSA-N 1 0 281.399 3.674 40 0 CHABRO Cn1c(C=CC=Cc2ccccc2)[o+]c2ccccc21 ZINC000001594988 567838901 /nfs/dbraw/zinc/83/89/01/567838901.db2.gz DRZBHELREJXBBS-XMGZOKRTSA-N 1 0 262.332 3.984 40 0 CHABRO COc1cc2cccnc2c(NCC[C@H]2CCCC[N@@H+]2C)c1 ZINC000001596770 567839056 /nfs/dbraw/zinc/83/90/56/567839056.db2.gz GCFJQTXRAZEHFB-OAHLLOKOSA-N 1 0 299.418 3.530 40 0 CHABRO CCN(CC)c1ccc(C[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000001621073 567839856 /nfs/dbraw/zinc/83/98/56/567839856.db2.gz LQZWCVZVPZHHTD-FXAWDEMLSA-N 1 0 295.426 3.981 40 0 CHABRO CC(C)c1ccc([C@H](Cc2ccccc2)[NH2+]CCO)cc1 ZINC000001666317 567840761 /nfs/dbraw/zinc/84/07/61/567840761.db2.gz IITFQIXOUXZPGR-IBGZPJMESA-N 1 0 283.415 3.676 40 0 CHABRO CCCC[NH+](CCCC)[C@@H]1CCC[C@@H](OC(=O)NC)C1 ZINC000001714562 567842575 /nfs/dbraw/zinc/84/25/75/567842575.db2.gz NTJFHLLKGBXEJW-HUUCEWRRSA-N 1 0 284.444 3.556 40 0 CHABRO COc1cc(C=Cc2sc3ccccc3[n+]2C)ccc1O ZINC000004416691 567857333 /nfs/dbraw/zinc/85/73/33/567857333.db2.gz BZOSZTUVIDZUAS-UHFFFAOYSA-O 1 0 298.387 3.610 40 0 CHABRO CC(C)c1cccc(C2(O)CC[NH+](C(C)C)CC2)c1 ZINC000079030454 567861482 /nfs/dbraw/zinc/86/14/82/567861482.db2.gz GFXZIRQBOHHQNG-UHFFFAOYSA-N 1 0 261.409 3.502 40 0 CHABRO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000014982352 567869857 /nfs/dbraw/zinc/86/98/57/567869857.db2.gz VVQFKBSPDUDXMN-ZDUSSCGKSA-N 1 0 287.325 3.877 40 0 CHABRO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000014982350 567869989 /nfs/dbraw/zinc/86/99/89/567869989.db2.gz VVQFKBSPDUDXMN-CYBMUJFWSA-N 1 0 287.325 3.877 40 0 CHABRO CCN(CC[NH+](CC)CC)C(=O)Nc1cccc(Cl)c1 ZINC000019074489 567876750 /nfs/dbraw/zinc/87/67/50/567876750.db2.gz YNFKUKNLVPYKFG-UHFFFAOYSA-N 1 0 297.830 3.536 40 0 CHABRO c1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019373867 567877776 /nfs/dbraw/zinc/87/77/76/567877776.db2.gz JKBWPCKVBNIZSK-YRPNKDGESA-N 1 0 297.442 3.895 40 0 CHABRO C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1Cl ZINC000031912059 567885447 /nfs/dbraw/zinc/88/54/47/567885447.db2.gz YZHZTOJXJQQTES-INIZCTEOSA-N 1 0 275.779 3.505 40 0 CHABRO CCCC[NH2+]Cc1ccc(OCCCC)c(OC)c1 ZINC000032114204 567885611 /nfs/dbraw/zinc/88/56/11/567885611.db2.gz DFGBZQOMSMPIJH-UHFFFAOYSA-N 1 0 265.397 3.764 40 0 CHABRO Cc1ccc(-c2cc(C(F)(F)F)c(C[NH3+])cn2)cc1 ZINC000089263247 567907338 /nfs/dbraw/zinc/90/73/38/567907338.db2.gz MZWBCFKTVDIESL-UHFFFAOYSA-N 1 0 266.266 3.535 40 0 CHABRO CCOc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072211801 567917450 /nfs/dbraw/zinc/91/74/50/567917450.db2.gz IBZRYTVPMNLIRI-HNNXBMFYSA-N 1 0 262.397 3.663 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1Cl ZINC000072211520 567917900 /nfs/dbraw/zinc/91/79/00/567917900.db2.gz JKMUYIKSQWZHRV-ZDUSSCGKSA-N 1 0 252.789 3.918 40 0 CHABRO CCN(CC)c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072212857 567918506 /nfs/dbraw/zinc/91/85/06/567918506.db2.gz QTLWPMIWGWHSRB-MRXNPFEDSA-N 1 0 275.440 3.863 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(CC)CC)nc1 ZINC000072212842 567918662 /nfs/dbraw/zinc/91/86/62/567918662.db2.gz AOEWPWMXPAHFFG-INIZCTEOSA-N 1 0 275.440 3.865 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214033 567919971 /nfs/dbraw/zinc/91/99/71/567919971.db2.gz IPXXQBCSVKDNDW-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216119 567920110 /nfs/dbraw/zinc/92/01/10/567920110.db2.gz LWUATPGLNROSFR-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216118 567920214 /nfs/dbraw/zinc/92/02/14/567920214.db2.gz LWUATPGLNROSFR-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072216005 567920699 /nfs/dbraw/zinc/92/06/99/567920699.db2.gz SGBPCIWUUUYJDB-KRWDZBQOSA-N 1 0 287.451 3.865 40 0 CHABRO Cc1cc([C@H]2CCCC[N@H+]2CC(C)C)c[nH]c1=S ZINC000072218283 567921088 /nfs/dbraw/zinc/92/10/88/567921088.db2.gz CMWQRSIEFRGMAU-CQSZACIVSA-N 1 0 264.438 3.862 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219282 567921634 /nfs/dbraw/zinc/92/16/34/567921634.db2.gz IOJSXICHYZJXEK-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO CNc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)c(C)n1 ZINC000072219122 567921686 /nfs/dbraw/zinc/92/16/86/567921686.db2.gz ZYHWPTSKSAAZQI-HNNXBMFYSA-N 1 0 261.413 3.615 40 0 CHABRO Cc1cc([C@H]2CCCC[N@H+]2CC(C)C)cnc1N(C)C ZINC000072218643 567921791 /nfs/dbraw/zinc/92/17/91/567921791.db2.gz RACIHGSSNZCVDY-MRXNPFEDSA-N 1 0 275.440 3.639 40 0 CHABRO CNc1ncc([C@H]2CCC[N@@H+]2Cc2ccccc2)cc1C ZINC000072218970 567921823 /nfs/dbraw/zinc/92/18/23/567921823.db2.gz WDQOWOMHHOMROT-QGZVFWFLSA-N 1 0 281.403 3.769 40 0 CHABRO COc1ccc(OC)c([C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000072221887 567922258 /nfs/dbraw/zinc/92/22/58/567922258.db2.gz TVEOYQPSTBZMKH-MRXNPFEDSA-N 1 0 277.408 3.887 40 0 CHABRO Cc1nc(N2CCCCCC2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224581 567922514 /nfs/dbraw/zinc/92/25/14/567922514.db2.gz JPJZAPVLRVZSAE-LJQANCHMSA-N 1 0 295.430 3.819 40 0 CHABRO CC[C@@H]([NH3+])c1cnc(N2CCCc3ccccc32)cc1C ZINC000072223925 567922551 /nfs/dbraw/zinc/92/25/51/567922551.db2.gz YPDIQXZDPBDQAQ-MRXNPFEDSA-N 1 0 281.403 3.884 40 0 CHABRO Cc1cc(SCc2ccccc2)ncc1[C@@H](C)[NH3+] ZINC000072223454 567922566 /nfs/dbraw/zinc/92/25/66/567922566.db2.gz OBCKLXYFAORBQI-GFCCVEGCSA-N 1 0 258.390 3.702 40 0 CHABRO C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2[NH3+] ZINC000118930990 567927366 /nfs/dbraw/zinc/92/73/66/567927366.db2.gz OMKYOYBEVIPBMI-MFXFBURESA-N 1 0 291.479 3.717 40 0 CHABRO CC[NH+](CC)C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000001687497 567937422 /nfs/dbraw/zinc/93/74/22/567937422.db2.gz FHDDQQUQUTVHET-GOSISDBHSA-N 1 0 269.388 3.729 40 0 CHABRO CN(C)CC[N@@H+](Cc1cccs1)CC1CCCCC1 ZINC000023247829 567948561 /nfs/dbraw/zinc/94/85/61/567948561.db2.gz JISNGZNFKQLDBM-UHFFFAOYSA-N 1 0 280.481 3.692 40 0 CHABRO CCOc1ccc([C@@H](CC)[NH2+]CC(C)C)cc1OC ZINC000222638626 567948934 /nfs/dbraw/zinc/94/89/34/567948934.db2.gz WSXRVZNIMYLIGZ-CQSZACIVSA-N 1 0 265.397 3.791 40 0 CHABRO C[NH2+]Cc1cc(C)n(Cc2ccccc2Cl)c1C ZINC000223663830 567950224 /nfs/dbraw/zinc/95/02/24/567950224.db2.gz CHNHNKXMNGYHOV-UHFFFAOYSA-N 1 0 262.784 3.526 40 0 CHABRO Cc1ccc(-n2cccc2C[NH2+]CC(C)C)cc1C ZINC000223682241 567950231 /nfs/dbraw/zinc/95/02/31/567950231.db2.gz FPGZYIAEWAPBEM-UHFFFAOYSA-N 1 0 256.393 3.840 40 0 CHABRO CC(C)C[NH2+]Cc1cccn1[C@@H](C)c1ccccc1 ZINC000223691309 567950239 /nfs/dbraw/zinc/95/02/39/567950239.db2.gz SWRKHMPTAMQWBC-HNNXBMFYSA-N 1 0 256.393 3.843 40 0 CHABRO CCC[NH2+]Cc1cccn1-c1ccc(C)c(Cl)c1 ZINC000223687416 567950428 /nfs/dbraw/zinc/95/04/28/567950428.db2.gz UIVYVQNWOMXGBB-UHFFFAOYSA-N 1 0 262.784 3.939 40 0 CHABRO CC[NH2+]Cc1c(C)[nH]c2ccc(O[C@H](C)CC)cc21 ZINC000223764367 567950664 /nfs/dbraw/zinc/95/06/64/567950664.db2.gz FIHDTQJQDKTLJF-LLVKDONJSA-N 1 0 260.381 3.763 40 0 CHABRO CC[C@@H](C)Oc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225162548 567952414 /nfs/dbraw/zinc/95/24/14/567952414.db2.gz AEGZFYICSOOIQG-KFWWJZLASA-N 1 0 277.408 3.694 40 0 CHABRO C[C@H](NC(=S)Nc1ccncc1)c1ccc(Cl)cc1 ZINC000225179204 567952778 /nfs/dbraw/zinc/95/27/78/567952778.db2.gz MWBOXJSJJVPBCB-JTQLQIEISA-N 1 0 291.807 3.783 40 0 CHABRO Cc1ccsc1C[N@H+](CCCO)CC1CCCCC1 ZINC000013997277 570285280 /nfs/dbraw/zinc/28/52/80/570285280.db2.gz NSGKLSZBSZFFHJ-UHFFFAOYSA-N 1 0 281.465 3.821 40 0 CHABRO Brc1cc2ccccc2[n+](Cc2ccccc2)c1 ZINC000015780616 570340686 /nfs/dbraw/zinc/34/06/86/570340686.db2.gz JHJPCCHKKOYQHE-UHFFFAOYSA-N 1 0 299.191 3.938 40 0 CHABRO COc1cc(C[NH+]2CCCC2)ccc1OCc1ccccc1 ZINC000199404991 1129180276 /nfs/dbraw/zinc/18/02/76/1129180276.db2.gz KAUCYAWOFKLHRG-UHFFFAOYSA-N 1 0 297.398 3.870 40 0 CHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCCOc2ccc(C=O)cc2)C1 ZINC000217794017 230396776 /nfs/dbraw/zinc/39/67/76/230396776.db2.gz HAEDRGRMWFMHCG-HZPDHXFCSA-N 1 0 289.419 3.636 40 0 CHABRO CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000096061575 185083325 /nfs/dbraw/zinc/08/33/25/185083325.db2.gz FJTLIFLOSNWIBO-RBUKOAKNSA-N 1 0 299.389 3.658 40 0 CHABRO Cc1cccc(Cn2cccc2C[NH2+]CC(C)C)c1 ZINC000091001923 180084199 /nfs/dbraw/zinc/08/41/99/180084199.db2.gz ISKUJSHUHZSTQD-UHFFFAOYSA-N 1 0 256.393 3.590 40 0 CHABRO Cc1nn(C2CCCC2)cc1C[NH2+]Cc1ccc(F)s1 ZINC000256054965 190005271 /nfs/dbraw/zinc/00/52/71/190005271.db2.gz YNPWJKJABAQTLU-UHFFFAOYSA-N 1 0 293.411 3.797 40 0 CHABRO c1cn2cnc([C@H]3CC[N@@H+](C4CCCCC4)C3)c2s1 ZINC000257241830 190018209 /nfs/dbraw/zinc/01/82/09/190018209.db2.gz HZTZCLGJXJJGNA-LBPRGKRZSA-N 1 0 275.421 3.518 40 0 CHABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2ccsc2)ccn1 ZINC000257253149 190021097 /nfs/dbraw/zinc/02/10/97/190021097.db2.gz JXTUTLFCFLPFEM-AWEZNQCLSA-N 1 0 273.405 3.522 40 0 CHABRO CC(C)[N@@H+]1CCC[C@H](c2ccc(-c3nccs3)cn2)C1 ZINC000257294529 190028231 /nfs/dbraw/zinc/02/82/31/190028231.db2.gz QUOZVFJKXMSBPA-AWEZNQCLSA-N 1 0 287.432 3.793 40 0 CHABRO Clc1ccc(CN2CC[C@H]3[NH2+]CCCC[C@H]32)cc1Cl ZINC000257329953 190034547 /nfs/dbraw/zinc/03/45/47/190034547.db2.gz XMEJQDHLJVQBFW-HUUCEWRRSA-N 1 0 299.245 3.710 40 0 CHABRO CC[NH+](CC)CCCNc1c(Cl)cc(N)cc1Cl ZINC000096524284 256732259 /nfs/dbraw/zinc/73/22/59/256732259.db2.gz YEEKHOPBRBKVSE-UHFFFAOYSA-N 1 0 290.238 3.719 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213859 256712952 /nfs/dbraw/zinc/71/29/52/256712952.db2.gz YCIFGKQBDORCGC-INIZCTEOSA-N 1 0 273.424 3.981 40 0 CHABRO CCCNc1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072213137 256714202 /nfs/dbraw/zinc/71/42/02/256714202.db2.gz DLTCATKIGLNMNP-HNNXBMFYSA-N 1 0 261.413 3.696 40 0 CHABRO C[C@H]([C@H](O)c1cc2c(c3ccccc31)CCCC2)[NH+](C)C ZINC000001706355 169746259 /nfs/dbraw/zinc/74/62/59/169746259.db2.gz SDPZTOYYDSQEQV-YJYMSZOUSA-N 1 0 283.415 3.702 40 0 CHABRO Cc1ccc2ccccc2c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000004903223 170038958 /nfs/dbraw/zinc/03/89/58/170038958.db2.gz OPROEDYFLGAFMN-CQSZACIVSA-N 1 0 296.414 3.819 40 0 CHABRO CC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000005907912 170153414 /nfs/dbraw/zinc/15/34/14/170153414.db2.gz WITQPGCGTLZPGK-QMMMGPOBSA-N 1 0 262.180 3.890 40 0 CHABRO CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000006324161 170191486 /nfs/dbraw/zinc/19/14/86/170191486.db2.gz PHQWTOVAZICUGG-UHFFFAOYSA-N 1 0 273.351 3.904 40 0 CHABRO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(OC)cc1 ZINC000006522522 170209537 /nfs/dbraw/zinc/20/95/37/170209537.db2.gz HHUWZLMTGJHFSK-QGZVFWFLSA-N 1 0 255.361 3.507 40 0 CHABRO c1cc2c(s1)[C@H]1CCCC[C@H]1O[C@@]21C[NH+]2CCC1CC2 ZINC000006668061 170224243 /nfs/dbraw/zinc/22/42/43/170224243.db2.gz YOTNJKHOKZAJDD-YSVLISHTSA-N 1 0 289.444 3.725 40 0 CHABRO CCOc1ccc(Br)cc1C[NH2+][C@H](C)CC ZINC000008325923 170331538 /nfs/dbraw/zinc/33/15/38/170331538.db2.gz NIFRYWJSKNMIJW-SNVBAGLBSA-N 1 0 286.213 3.736 40 0 CHABRO C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CCC[NH2+]2 ZINC000008615826 170343058 /nfs/dbraw/zinc/34/30/58/170343058.db2.gz GWLZIXUQGCRFNW-ZBLLQYKHSA-N 1 0 289.463 3.652 40 0 CHABRO CC1(C)Nc2ccc(Cl)cc2C(c2ccccc2)[N+]1=O ZINC000010150753 170398420 /nfs/dbraw/zinc/39/84/20/170398420.db2.gz ANDFAZOPEFWGGL-UHFFFAOYSA-N 1 0 286.762 3.849 40 0 CHABRO C[C@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc21 ZINC000013782373 170593553 /nfs/dbraw/zinc/59/35/53/170593553.db2.gz GIKPTWKWYXCBEC-ZETCQYMHSA-N 1 0 294.148 3.831 40 0 in-vitro CHABRO C[n+]1c(/C=C\c2ccccc2)sc2ccccc21 ZINC000031962121 171670869 /nfs/dbraw/zinc/67/08/69/171670869.db2.gz KJCPOALBXTXZKU-QXMHVHEDSA-N 1 0 252.362 3.896 40 0 CHABRO Clc1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1c1ccccc1O2 ZINC000034220187 171835072 /nfs/dbraw/zinc/83/50/72/171835072.db2.gz DQUCRGAOGUQHJQ-KBPBESRZSA-N 1 0 271.747 3.916 40 0 in-vitro CHABRO CC1CCN([C@@H](C[NH3+])c2cc(Cl)cc(Cl)c2)CC1 ZINC000037424716 173198922 /nfs/dbraw/zinc/19/89/22/173198922.db2.gz BYAKMENAVNZXMC-AWEZNQCLSA-N 1 0 287.234 3.725 40 0 CHABRO CC1CCN([C@@H](C[NH3+])c2ccc(Cl)c(Cl)c2)CC1 ZINC000039142596 174164539 /nfs/dbraw/zinc/16/45/39/174164539.db2.gz GLMIRNAVPZGQJZ-AWEZNQCLSA-N 1 0 287.234 3.725 40 0 CHABRO c1ccc(C(OC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000071256389 176095652 /nfs/dbraw/zinc/09/56/52/176095652.db2.gz RFAADNHELHYGFE-INIZCTEOSA-N 1 0 281.399 3.792 40 0 CHABRO Clc1ccc(Cl)c(COC[C@H]2CCC[NH2+]C2)c1 ZINC000072203673 176342054 /nfs/dbraw/zinc/34/20/54/176342054.db2.gz KTSWUMBOJPLPPG-JTQLQIEISA-N 1 0 274.191 3.510 40 0 CHABRO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000072348560 176373540 /nfs/dbraw/zinc/37/35/40/176373540.db2.gz AWEYGYLEOJNSNG-OAHLLOKOSA-N 1 0 282.387 3.566 40 0 CHABRO c1cn(-c2cccc([C@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000072378719 176385498 /nfs/dbraw/zinc/38/54/98/176385498.db2.gz YAYSPXXMOLNEMO-QGZVFWFLSA-N 1 0 296.418 3.737 40 0 CHABRO c1cnc2[nH]c(C3CCCC3)c(C[NH+]3CCCC3)c2c1 ZINC000072393342 176394465 /nfs/dbraw/zinc/39/44/65/176394465.db2.gz PGAIVOKNTQOBNA-UHFFFAOYSA-N 1 0 269.392 3.816 40 0 CHABRO C[C@@H](c1ccco1)N(C)Cc1cccn1-c1cc[nH+]cc1 ZINC000072397957 176395542 /nfs/dbraw/zinc/39/55/42/176395542.db2.gz SWEZNQJICSXDKR-AWEZNQCLSA-N 1 0 281.359 3.658 40 0 CHABRO [NH3+]Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000199826450 333209196 /nfs/dbraw/zinc/20/91/96/333209196.db2.gz PWIIEIMTTLITTL-UHFFFAOYSA-N 1 0 295.169 3.704 40 0 CHABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](CC(C)(C)C)C3)o2)cc1 ZINC000049169939 560084670 /nfs/dbraw/zinc/08/46/70/560084670.db2.gz HWOLSGSBGZBHAM-HNNXBMFYSA-N 1 0 299.418 3.880 40 0 biogenic,in-vitro CHABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1CC[C@H]1CCCC[NH2+]1 ZINC000211626074 566884472 /nfs/dbraw/zinc/88/44/72/566884472.db2.gz RMFTVQFBERWPGY-HUUCEWRRSA-N 1 0 296.455 3.698 40 0 CHABRO C[C@@H](C[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1)CC(C)(C)C ZINC000000171801 567073257 /nfs/dbraw/zinc/07/32/57/567073257.db2.gz HFXRXQYPTWPANL-HRCADAONSA-N 1 0 283.456 3.676 40 0 CHABRO CCOC(=O)CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000039988527 567084558 /nfs/dbraw/zinc/08/45/58/567084558.db2.gz BBDKGMMFFHIING-UHFFFAOYSA-N 1 0 297.398 3.642 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368627 567103809 /nfs/dbraw/zinc/10/38/09/567103809.db2.gz FIZLAPMVBYATNF-UKRRQHHQSA-N 1 0 261.413 3.839 40 0 CHABRO C1C[C@H]2C[C@@H]1C[C@@H]2[NH+]1CCC([NH+]2CCCCCC2)CC1 ZINC000000546969 567833190 /nfs/dbraw/zinc/83/31/90/567833190.db2.gz XCZBNZIWHQGJOM-RYRKJORJSA-N 1 0 276.468 3.515 40 0 CHABRO C[NH+]1CCC(=C2c3ccccc3C(O)c3ccccc32)CC1 ZINC000001481770 567837704 /nfs/dbraw/zinc/83/77/04/567837704.db2.gz HLBRHTFSMMEHPK-UHFFFAOYSA-N 1 0 291.394 3.609 40 0 in-man CHABRO Brc1ccc[n+](CCC2CCCCC2)c1 ZINC000001665288 567840844 /nfs/dbraw/zinc/84/08/44/567840844.db2.gz QCEXRXPUHUYSAA-UHFFFAOYSA-N 1 0 269.206 3.707 40 0 CHABRO CCCC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 ZINC000001667053 567840763 /nfs/dbraw/zinc/84/07/63/567840763.db2.gz OOKFNBJFELGWFO-RBUKOAKNSA-N 1 0 299.414 3.860 40 0 CHABRO CCCCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000001672300 567841101 /nfs/dbraw/zinc/84/11/01/567841101.db2.gz JAZILVNOHQJZKN-ZDUSSCGKSA-N 1 0 276.207 3.807 40 0 CHABRO C[NH+](C)CC[C@]1(c2ccccc2)C=Cc2ccccc21 ZINC000001678256 567841412 /nfs/dbraw/zinc/84/14/12/567841412.db2.gz KAQPNQMPHIRKJJ-IBGZPJMESA-N 1 0 263.384 3.951 40 0 in-man CHABRO COc1ccc([C@H]2[NH2+]CCC[C@H]2c2ccccc2)cc1 ZINC000001700405 567841824 /nfs/dbraw/zinc/84/18/24/567841824.db2.gz HOBHPIQVTRUWBT-ZWKOTPCHSA-N 1 0 267.372 3.904 40 0 CHABRO COc1ccc([C@@H](C)C[NH2+]Cc2ccccc2)cc1 ZINC000001712555 567842196 /nfs/dbraw/zinc/84/21/96/567842196.db2.gz JUMSAJVIOJPECG-AWEZNQCLSA-N 1 0 255.361 3.589 40 0 CHABRO C[NH+](C)Cc1cn(-c2ccccc2)c2ccccc12 ZINC000001713956 567842487 /nfs/dbraw/zinc/84/24/87/567842487.db2.gz YQRFNATTXLUGAO-UHFFFAOYSA-N 1 0 250.345 3.692 40 0 CHABRO C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000014193760 567868797 /nfs/dbraw/zinc/86/87/97/567868797.db2.gz WBAUQFATUPQGAL-LLVKDONJSA-N 1 0 268.198 3.681 40 0 CHABRO C[n+]1ccc(/C=C\c2csc3ccccc23)cc1 ZINC000017423089 567875559 /nfs/dbraw/zinc/87/55/59/567875559.db2.gz WJJQXHCDALWWAE-SREVYHEPSA-N 1 0 252.362 3.896 40 0 CHABRO c1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019373714 567877737 /nfs/dbraw/zinc/87/77/37/567877737.db2.gz PTSYNSVXXOTRDY-NCXUSEDFSA-N 1 0 283.415 3.505 40 0 CHABRO c1ccc([C@H]2[C@H]([NH2+]CC3=CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000019373718 567877972 /nfs/dbraw/zinc/87/79/72/567877972.db2.gz PTSYNSVXXOTRDY-WJFTUGDTSA-N 1 0 283.415 3.505 40 0 CHABRO CC(C)c1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccccc1 ZINC000019454265 567878173 /nfs/dbraw/zinc/87/81/73/567878173.db2.gz BRQNYTMTBOCHLP-QAPCUYQASA-N 1 0 293.414 3.862 40 0 CHABRO c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019373716 567878246 /nfs/dbraw/zinc/87/82/46/567878246.db2.gz PTSYNSVXXOTRDY-FCGDIQPGSA-N 1 0 283.415 3.505 40 0 CHABRO [NH3+][C@H](c1cccs1)c1ccc(Br)cc1 ZINC000019841988 567879204 /nfs/dbraw/zinc/87/92/04/567879204.db2.gz GSIUHOHMHXTASL-NSHDSACASA-N 1 0 268.179 3.559 40 0 CHABRO Cc1ncc([C@@H]2CCC[N@H+]2C)c2c3ccccc3[nH]c21 ZINC000000047467 567905687 /nfs/dbraw/zinc/90/56/87/567905687.db2.gz DIZAFWUMCZPYGF-HNNXBMFYSA-N 1 0 265.360 3.791 40 0 biogenic,in-vitro CHABRO COc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072211745 567917622 /nfs/dbraw/zinc/91/76/22/567917622.db2.gz ONPZDPJXCPXYMO-KRWDZBQOSA-N 1 0 282.387 3.817 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(OCC)nc1 ZINC000072211803 567917707 /nfs/dbraw/zinc/91/77/07/567917707.db2.gz YDCHWPGNUJLEBB-OAHLLOKOSA-N 1 0 262.397 3.807 40 0 CHABRO CCN(C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072212798 567918001 /nfs/dbraw/zinc/91/80/01/567918001.db2.gz UIZGWMKTAPBOJW-INIZCTEOSA-N 1 0 275.440 3.721 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)CC ZINC000072212801 567918107 /nfs/dbraw/zinc/91/81/07/567918107.db2.gz HBOBUTOYRPXWQG-INIZCTEOSA-N 1 0 275.440 3.865 40 0 CHABRO CCNc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213063 567918273 /nfs/dbraw/zinc/91/82/73/567918273.db2.gz WGKHQEBYJKKLFC-KRWDZBQOSA-N 1 0 281.403 3.851 40 0 CHABRO CC(C)N(c1ncccc1[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000072213030 567918285 /nfs/dbraw/zinc/91/82/85/567918285.db2.gz YMWDGNHZDNMBEL-INIZCTEOSA-N 1 0 275.440 3.862 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1OC(C)C ZINC000072211978 567918399 /nfs/dbraw/zinc/91/83/99/567918399.db2.gz XBPAHAWJYVGVIN-HNNXBMFYSA-N 1 0 262.397 3.806 40 0 CHABRO CC(C)CNc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213314 567918807 /nfs/dbraw/zinc/91/88/07/567918807.db2.gz DWVMLWIUNZSFFZ-OAHLLOKOSA-N 1 0 261.413 3.695 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213740 567918889 /nfs/dbraw/zinc/91/88/89/567918889.db2.gz GXWHTQNJNZIEAW-MRXNPFEDSA-N 1 0 273.424 3.839 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213800 567918895 /nfs/dbraw/zinc/91/88/95/567918895.db2.gz WQVMPVZAJJTJEW-MRXNPFEDSA-N 1 0 273.424 3.839 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213743 567919169 /nfs/dbraw/zinc/91/91/69/567919169.db2.gz SAGIRACAGZQNDB-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO CC[C@@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072213423 567919182 /nfs/dbraw/zinc/91/91/82/567919182.db2.gz XBZOOGRKJNEXNL-UKRRQHHQSA-N 1 0 261.413 3.839 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213797 567919218 /nfs/dbraw/zinc/91/92/18/567919218.db2.gz IIJCTIFSMHHDPY-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214392 567919451 /nfs/dbraw/zinc/91/94/51/567919451.db2.gz GICYPCORBSSIND-ZDUSSCGKSA-N 1 0 291.395 3.585 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216694 567920285 /nfs/dbraw/zinc/92/02/85/567920285.db2.gz AGPVEGNGTKERKU-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216717 567920491 /nfs/dbraw/zinc/92/04/91/567920491.db2.gz NFNINGTYYYOWGT-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215945 567920580 /nfs/dbraw/zinc/92/05/80/567920580.db2.gz PJJYMBMZBDOSSN-KRWDZBQOSA-N 1 0 287.451 3.865 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216103 567920797 /nfs/dbraw/zinc/92/07/97/567920797.db2.gz IGGSKFWJCFUHCB-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO Cc1cc(=S)[nH]cc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072218341 567921288 /nfs/dbraw/zinc/92/12/88/567921288.db2.gz KHBBNNUVICZPPS-CYBMUJFWSA-N 1 0 250.411 3.614 40 0 CHABRO CSc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072216963 567921378 /nfs/dbraw/zinc/92/13/78/567921378.db2.gz IKXRTGUYNPYBCK-CQSZACIVSA-N 1 0 264.438 3.987 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219152 567921690 /nfs/dbraw/zinc/92/16/90/567921690.db2.gz DQUPOMYJQNNXPT-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc(N2CCCC2)ncc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072218864 567921828 /nfs/dbraw/zinc/92/18/28/567921828.db2.gz ZNMFYJYTCDZHIA-QGZVFWFLSA-N 1 0 287.451 3.783 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218802 567921830 /nfs/dbraw/zinc/92/18/30/567921830.db2.gz MZCXUCMLZYRULS-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc([C@H](C)[NH3+])cnc1SC1CCCCC1 ZINC000072222799 567922379 /nfs/dbraw/zinc/92/23/79/567922379.db2.gz BDNXJUGOGFLWFI-NSHDSACASA-N 1 0 250.411 3.835 40 0 CHABRO CC[C@@H]([NH3+])c1ccc(N2CCCc3ccccc32)nc1 ZINC000072225794 567922807 /nfs/dbraw/zinc/92/28/07/567922807.db2.gz MUVHYIHFVZNVMO-OAHLLOKOSA-N 1 0 267.376 3.576 40 0 CHABRO [NH2+]=c1c2c(n(Cc3ccc(F)cc3)c3c1CCCC3)CCC2 ZINC000004467000 567932261 /nfs/dbraw/zinc/93/22/61/567932261.db2.gz XUKKFOCDAUQWAR-UHFFFAOYSA-N 1 0 296.389 3.522 40 0 CHABRO CC(C)CC[N@@H+]1C[C@@H](C)[C@](O)(c2ccccc2)C[C@@H]1C ZINC000003901498 567945792 /nfs/dbraw/zinc/94/57/92/567945792.db2.gz NRNKPUIJZXENIG-RYRKJORJSA-N 1 0 275.436 3.651 40 0 CHABRO C[C@H]1CCCC[N@@H+]1CCCCOc1ccc(C=O)cc1 ZINC000206991503 567946514 /nfs/dbraw/zinc/94/65/14/567946514.db2.gz CPBFCBUKTPVXSC-HNNXBMFYSA-N 1 0 275.392 3.533 40 0 CHABRO CCN(CC)CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000022863729 567948465 /nfs/dbraw/zinc/94/84/65/567948465.db2.gz JEORTHKQPXKVMO-HXUWFJFHSA-N 1 0 296.458 3.902 40 0 CHABRO CCCC[NH2+]Cc1cccn1[C@@H](C)c1ccccc1 ZINC000223691169 567950193 /nfs/dbraw/zinc/95/01/93/567950193.db2.gz XRNDRWKQYDDWST-HNNXBMFYSA-N 1 0 256.393 3.987 40 0 CHABRO CCCOc1ccc2c(c1)c(C[NH3+])c(C)n2CC(C)C ZINC000223756947 567950772 /nfs/dbraw/zinc/95/07/72/567950772.db2.gz VWHXVEUWEVEDCS-UHFFFAOYSA-N 1 0 274.408 3.853 40 0 CHABRO CCCCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000225167386 567952750 /nfs/dbraw/zinc/95/27/50/567952750.db2.gz UGDAUCKIQJGURM-RHSMWYFYSA-N 1 0 277.408 3.695 40 0 CHABRO COc1ccc2[nH]c3c(c2c1)c(C)c1c(c3C)CC[N@@H+](C)C1 ZINC000001662324 570383712 /nfs/dbraw/zinc/38/37/12/570383712.db2.gz CBTLFIIMNHKZFR-UHFFFAOYSA-N 1 0 294.398 3.934 40 0 CHABRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000199425237 1122648810 /nfs/dbraw/zinc/64/88/10/1122648810.db2.gz FAKZYZYSFVGBEY-UHFFFAOYSA-N 1 0 282.431 3.559 40 0 CHABRO [NH3+]C1(c2cc(Br)c3ccccc3c2)CC1 ZINC000575629296 1125258541 /nfs/dbraw/zinc/25/85/41/1125258541.db2.gz OVVGOBCEQMNDSP-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO CC(C)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096047905 185072312 /nfs/dbraw/zinc/07/23/12/185072312.db2.gz UEZBNGBNVWKXSF-INIZCTEOSA-N 1 0 291.410 3.853 40 0 CHABRO CO[C@@H]1CC[N@H+](Cc2cccs2)[C@H]1Cc1ccccc1 ZINC000096061571 185082351 /nfs/dbraw/zinc/08/23/51/185082351.db2.gz GZVVBEQDYOMKKM-DLBZAZTESA-N 1 0 287.428 3.580 40 0 CHABRO CCn1cc(C[NH2+]Cc2ccc(F)s2)c(C(C)C)n1 ZINC000256049525 190002400 /nfs/dbraw/zinc/00/24/00/190002400.db2.gz AIBLNYCHTMMMJY-UHFFFAOYSA-N 1 0 281.400 3.517 40 0 CHABRO CC(C)n1nc(C2CC2)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000256054623 190005623 /nfs/dbraw/zinc/00/56/23/190005623.db2.gz XBMDPZAQKGCCAR-UHFFFAOYSA-N 1 0 287.382 3.770 40 0 CHABRO CCc1cccc2cc(C[NH2+]Cc3cccs3)c(=O)[nH]c21 ZINC000257282872 190026559 /nfs/dbraw/zinc/02/65/59/190026559.db2.gz OVQALVUPBCLQFQ-UHFFFAOYSA-N 1 0 298.411 3.854 40 0 CHABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]Cc3cccs3)cc12 ZINC000257343509 190037496 /nfs/dbraw/zinc/03/74/96/190037496.db2.gz ZTHKGPDQUBRVJU-UHFFFAOYSA-N 1 0 298.411 3.909 40 0 CHABRO CC(C)(C)c1ccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225714411 256700236 /nfs/dbraw/zinc/70/02/36/256700236.db2.gz FAEJKDIDUFPESY-SJORKVTESA-N 1 0 272.436 3.705 40 0 CHABRO Cc1cc(N2CCCCC2)ncc1[C@H]1CCCC[N@H+]1C ZINC000072219235 256707743 /nfs/dbraw/zinc/70/77/43/256707743.db2.gz QAIJQHZQPHXPMR-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cccc[n+]1C1c2ccccc2-c2ccccc21 ZINC000004777605 170015770 /nfs/dbraw/zinc/01/57/70/170015770.db2.gz SWKNQIJYQPCBIR-UHFFFAOYSA-N 1 0 258.344 3.901 40 0 CHABRO C[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000005910012 170153688 /nfs/dbraw/zinc/15/36/88/170153688.db2.gz GTARXTKHPNEIBP-UHFFFAOYSA-N 1 0 297.807 3.709 40 0 CHABRO CC[NH+](CC)CC[C@@H](O)c1cccc2ccccc21 ZINC000006382382 170196776 /nfs/dbraw/zinc/19/67/76/170196776.db2.gz VQVAXOOFUIPAAC-QGZVFWFLSA-N 1 0 257.377 3.605 40 0 CHABRO CCCCC[NH2+]Cc1cc(Br)ccc1OC ZINC000006427698 170200644 /nfs/dbraw/zinc/20/06/44/170200644.db2.gz QMBDYFPOTUJWBS-UHFFFAOYSA-N 1 0 286.213 3.738 40 0 CHABRO CC[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000006497333 170207180 /nfs/dbraw/zinc/20/71/80/170207180.db2.gz LAESPISOUQUKSQ-UHFFFAOYSA-N 1 0 285.387 3.774 40 0 CHABRO CC[NH+](CC)CCCNc1nc2ccccc2n1C(C)C ZINC000006869478 170251450 /nfs/dbraw/zinc/25/14/50/170251450.db2.gz YBLCPDSCJQAGIL-UHFFFAOYSA-N 1 0 288.439 3.761 40 0 CHABRO CCCCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000007261234 170273702 /nfs/dbraw/zinc/27/37/02/170273702.db2.gz RXGITJZBIMFYAB-UHFFFAOYSA-N 1 0 271.788 3.637 40 0 CHABRO CCCCC[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC000007261294 170273958 /nfs/dbraw/zinc/27/39/58/170273958.db2.gz VUBJJZZNHTXCTA-UHFFFAOYSA-N 1 0 265.397 3.764 40 0 CHABRO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OC ZINC000008325893 170331591 /nfs/dbraw/zinc/33/15/91/170331591.db2.gz BBWKFIRFVCUASK-SNVBAGLBSA-N 1 0 271.788 3.635 40 0 CHABRO CC(C)n1c2ccc(Cl)cc2nc1CCCCC[NH3+] ZINC000037440621 173210208 /nfs/dbraw/zinc/21/02/08/173210208.db2.gz YZGREYTYOOWWHD-UHFFFAOYSA-N 1 0 279.815 3.942 40 0 CHABRO FC(F)(F)c1ccc([C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000038539307 174145563 /nfs/dbraw/zinc/14/55/63/174145563.db2.gz XYAGCMWYHMVCIG-QMMMGPOBSA-N 1 0 263.690 3.826 40 0 CHABRO CC1CCN([C@H](C[NH3+])c2ccc(Cl)cc2Cl)CC1 ZINC000039142594 174164578 /nfs/dbraw/zinc/16/45/78/174164578.db2.gz QAMHRNGQTWMTMW-CQSZACIVSA-N 1 0 287.234 3.725 40 0 CHABRO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072354412 176374602 /nfs/dbraw/zinc/37/46/02/176374602.db2.gz JPDZGSPFHKYVSM-INIZCTEOSA-N 1 0 284.378 3.587 40 0 CHABRO Cc1cc(Cc2ccccc2F)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072354410 176375233 /nfs/dbraw/zinc/37/52/33/176375233.db2.gz INZUIESASHMERN-INIZCTEOSA-N 1 0 284.378 3.587 40 0 CHABRO Clc1ccc(Cc2cccc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000072356430 176375688 /nfs/dbraw/zinc/37/56/88/176375688.db2.gz RSZGJWGZTQCTGB-HNNXBMFYSA-N 1 0 272.779 3.750 40 0 CHABRO FC(F)(F)c1cccc(-c2c[nH]nc2[C@H]2CCC[NH2+]2)c1 ZINC000072379961 176387130 /nfs/dbraw/zinc/38/71/30/176387130.db2.gz QBSDTTBSPJPACQ-GFCCVEGCSA-N 1 0 281.281 3.520 40 0 CHABRO Cc1nccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000072379992 176387163 /nfs/dbraw/zinc/38/71/63/176387163.db2.gz LXPAICJYVKKCAB-QGZVFWFLSA-N 1 0 267.376 3.512 40 0 CHABRO Cn1c(C[NH2+]CCCc2ccccc2)cc2sccc21 ZINC000072389375 176394055 /nfs/dbraw/zinc/39/40/55/176394055.db2.gz XPFUFLQQATVANH-UHFFFAOYSA-N 1 0 284.428 3.962 40 0 CHABRO CC[C@@H]1C[NH2+]Cc2cc3cccc(C(C)C)c3nc2O1 ZINC000072392285 176394508 /nfs/dbraw/zinc/39/45/08/176394508.db2.gz WGHLVBCHXHMVNK-CQSZACIVSA-N 1 0 270.376 3.619 40 0 CHABRO CCN(CC)CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000021801415 262342430 /nfs/dbraw/zinc/34/24/30/262342430.db2.gz WCNVREMNYPEYSX-UHFFFAOYSA-N 1 0 282.431 3.785 40 0 CHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCOc2ccccc2C=O)C1 ZINC000217796519 533797060 /nfs/dbraw/zinc/79/70/60/533797060.db2.gz CEXLILJLAPBTAC-IYBDPMFKSA-N 1 0 289.419 3.636 40 0 CHABRO C[NH2+]C[C@H](OC(C)C)c1cc(Cl)ccc1Cl ZINC000062711679 522075841 /nfs/dbraw/zinc/07/58/41/522075841.db2.gz DAXVUPUZULQQMA-LBPRGKRZSA-N 1 0 262.180 3.679 40 0 CHABRO C[NH2+]C[C@H](OC(C)C)c1ccc(Cl)cc1Cl ZINC000062711727 522076320 /nfs/dbraw/zinc/07/63/20/522076320.db2.gz ZEACSUMQHSFARU-LBPRGKRZSA-N 1 0 262.180 3.679 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(NCC(C)C)nc1 ZINC000072213316 567919224 /nfs/dbraw/zinc/91/92/24/567919224.db2.gz UIHGGULBFVLOJS-HNNXBMFYSA-N 1 0 261.413 3.696 40 0 CHABRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccccc2)cc1N ZINC000218282668 566841313 /nfs/dbraw/zinc/84/13/13/566841313.db2.gz SAWXNWQDVIAHPH-CQSZACIVSA-N 1 0 254.377 3.770 40 0 CHABRO Cc1cc(Nc2cccc(F)c2)c2ccccc2[nH+]1 ZINC000035067593 566974352 /nfs/dbraw/zinc/97/43/52/566974352.db2.gz MERCPMOQUZRMKJ-UHFFFAOYSA-N 1 0 252.292 3.848 40 0 CHABRO COc1ccc2ccccc2c1[C@H](C[NH3+])N1CCC(C)CC1 ZINC000032073465 567045085 /nfs/dbraw/zinc/04/50/85/567045085.db2.gz RCMQLXXIWTVYLE-KRWDZBQOSA-N 1 0 298.430 3.580 40 0 CHABRO [NH3+]Cc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000019263219 567046961 /nfs/dbraw/zinc/04/69/61/567046961.db2.gz HTMHOYPESLLYJM-UHFFFAOYSA-N 1 0 276.339 3.551 40 0 CHABRO O=C1CCC[C@H]1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000217464498 567170454 /nfs/dbraw/zinc/17/04/54/567170454.db2.gz OMWBVERYXPTJQI-IRXDYDNUSA-N 1 0 271.404 3.800 40 0 CHABRO c1[nH]c2ccccc2c1[C@H](c1ccccn1)[NH+]1CCCC1 ZINC000000101833 567818267 /nfs/dbraw/zinc/81/82/67/567818267.db2.gz KMUFNTCIBVGBFX-GOSISDBHSA-N 1 0 277.371 3.748 40 0 CHABRO C[N@@H+]1[C@@H](c2ccccc2)CC(C)(O)C[C@H]1c1ccccc1 ZINC000000208435 567822041 /nfs/dbraw/zinc/82/20/41/567822041.db2.gz YKVNCLSIBPRPTL-DFNIBXOVSA-N 1 0 281.399 3.946 40 0 CHABRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000000517047 567833356 /nfs/dbraw/zinc/83/33/56/567833356.db2.gz JNVVIQPMHUDYTJ-CQSZACIVSA-N 1 0 255.361 3.936 40 0 CHABRO C[N@@H+]1CC[C@@H](C(c2ccccc2)c2ccccc2)C1 ZINC000001569003 567838068 /nfs/dbraw/zinc/83/80/68/567838068.db2.gz RAMVHYAPKXXGBL-QGZVFWFLSA-N 1 0 251.373 3.770 40 0 CHABRO C[C@@H](c1ccccc1)c1ccccc1OCC[NH+](C)C ZINC000001586332 567838747 /nfs/dbraw/zinc/83/87/47/567838747.db2.gz PATHRCHITDYBRX-HNNXBMFYSA-N 1 0 269.388 3.779 40 0 CHABRO c1ccc2nc(C[n+]3cccc4ccccc43)ccc2c1 ZINC000001640981 567840181 /nfs/dbraw/zinc/84/01/81/567840181.db2.gz HFOFAFJUMSMARR-UHFFFAOYSA-N 1 0 271.343 3.724 40 0 CHABRO CCCC[NH+](CCCC)[C@H]1CCC[C@H](OC(=O)NC)C1 ZINC000001714563 567842444 /nfs/dbraw/zinc/84/24/44/567842444.db2.gz NTJFHLLKGBXEJW-GJZGRUSLSA-N 1 0 284.444 3.556 40 0 CHABRO Cc1cc2ccccc2[n+](C)c1-c1ccccc1F ZINC000001724715 567842773 /nfs/dbraw/zinc/84/27/73/567842773.db2.gz FIWIIGGNEBHNCJ-UHFFFAOYSA-N 1 0 252.312 3.779 40 0 CHABRO CC(C)[C@H](C(=O)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000001848526 567843824 /nfs/dbraw/zinc/84/38/24/567843824.db2.gz NTFQBQOOTJCIEC-HNNXBMFYSA-N 1 0 267.800 3.600 40 0 CHABRO C[N+]1=C(/C=C\c2ccc(N)cc2)C(C)(C)c2ccccc21 ZINC000004522482 567857626 /nfs/dbraw/zinc/85/76/26/567857626.db2.gz DRDNWQHFFHEDHQ-UHFFFAOYSA-O 1 0 277.391 3.988 40 0 CHABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000031938483 567860547 /nfs/dbraw/zinc/86/05/47/567860547.db2.gz JTNBVNQXAVLMMC-GOSISDBHSA-N 1 0 269.388 3.631 40 0 CHABRO CCn1cncc1C[NH2+]C1(c2ccccc2F)CCCC1 ZINC000012147594 567862343 /nfs/dbraw/zinc/86/23/43/567862343.db2.gz WBJOJYHBZKZQBV-UHFFFAOYSA-N 1 0 287.382 3.601 40 0 CHABRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000014193892 567868755 /nfs/dbraw/zinc/86/87/55/567868755.db2.gz UHXYFARSBSNTGR-LLVKDONJSA-N 1 0 268.198 3.824 40 0 CHABRO CC[C@@H](C)[NH2+]Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000032123276 567886113 /nfs/dbraw/zinc/88/61/13/567886113.db2.gz SVNDDZSCDFYYMP-CYBMUJFWSA-N 1 0 277.408 3.905 40 0 CHABRO CCCC[C@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000033946209 567886967 /nfs/dbraw/zinc/88/69/67/567886967.db2.gz YOSQVMGMENUCDX-MRXNPFEDSA-N 1 0 259.393 3.832 40 0 in-vitro CHABRO Clc1ccc(C[NH2+]CCOc2ccccn2)c(Cl)c1 ZINC000057353324 567895102 /nfs/dbraw/zinc/89/51/02/567895102.db2.gz SESGMIJTJRFNOR-UHFFFAOYSA-N 1 0 297.185 3.557 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096215263 567910083 /nfs/dbraw/zinc/91/00/83/567910083.db2.gz DTEUEBSEHFELKS-KRWDZBQOSA-N 1 0 292.492 3.692 40 0 CHABRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072211068 567917611 /nfs/dbraw/zinc/91/76/11/567917611.db2.gz POHOSRLWZRWRET-QGZVFWFLSA-N 1 0 252.361 3.727 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211918 567917644 /nfs/dbraw/zinc/91/76/44/567917644.db2.gz FAXOELMBIDKOOE-HNNXBMFYSA-N 1 0 262.397 3.806 40 0 CHABRO Cc1ccncc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211387 567917929 /nfs/dbraw/zinc/91/79/29/567917929.db2.gz SLWSFWBQMBDCQU-KRWDZBQOSA-N 1 0 252.361 3.727 40 0 CHABRO CCCNc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072213197 567918244 /nfs/dbraw/zinc/91/82/44/567918244.db2.gz FTILUARQIYMTLT-HNNXBMFYSA-N 1 0 261.413 3.696 40 0 CHABRO O=c1[nH]cccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212332 567918249 /nfs/dbraw/zinc/91/82/49/567918249.db2.gz ZRJGWUOQUBUWBO-MRXNPFEDSA-N 1 0 268.360 3.514 40 0 CHABRO CCCNc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072213214 567918299 /nfs/dbraw/zinc/91/82/99/567918299.db2.gz BIYOHDXNXRKWML-HNNXBMFYSA-N 1 0 261.413 3.839 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1NCC(C)C ZINC000072213255 567918361 /nfs/dbraw/zinc/91/83/61/567918361.db2.gz RQCYYUSWBMBGSB-OAHLLOKOSA-N 1 0 261.413 3.696 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(CC)CC)nc1 ZINC000072212855 567918479 /nfs/dbraw/zinc/91/84/79/567918479.db2.gz AWYCWRQBRWEDHG-INIZCTEOSA-N 1 0 275.440 3.865 40 0 CHABRO CCN(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212705 567918659 /nfs/dbraw/zinc/91/86/59/567918659.db2.gz DSSJXQPTAVBGID-SFHVURJKSA-N 1 0 295.430 3.875 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213736 567919254 /nfs/dbraw/zinc/91/92/54/567919254.db2.gz WXOVPOGHKWDDNV-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO CCCCNc1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072213598 567919258 /nfs/dbraw/zinc/91/92/58/567919258.db2.gz QUBWBFPNQFCHPG-OAHLLOKOSA-N 1 0 261.413 3.839 40 0 CHABRO CCCCNc1ncccc1[C@H]1CCC[N@@H+]1CCC ZINC000072213600 567919326 /nfs/dbraw/zinc/91/93/26/567919326.db2.gz KFHDIJORTGABBT-OAHLLOKOSA-N 1 0 261.413 3.841 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213973 567919344 /nfs/dbraw/zinc/91/93/44/567919344.db2.gz VXPHLIDMTIWLBX-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214069 567919648 /nfs/dbraw/zinc/91/96/48/567919648.db2.gz LZNMMZXZLYHCQA-MRXNPFEDSA-N 1 0 267.376 3.982 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214064 567919697 /nfs/dbraw/zinc/91/96/97/567919697.db2.gz XIIKQNIHMBFIOB-HNNXBMFYSA-N 1 0 253.349 3.592 40 0 CHABRO CN(c1ccccc1)c1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072214243 567919845 /nfs/dbraw/zinc/91/98/45/567919845.db2.gz VXEMHZBBJRHJPE-MRXNPFEDSA-N 1 0 267.376 3.616 40 0 CHABRO c1cnc(SC2CCCCC2)c([C@@H]2CCC[NH2+]2)c1 ZINC000072217283 567919914 /nfs/dbraw/zinc/91/99/14/567919914.db2.gz BPHGKWNKMISGQG-AWEZNQCLSA-N 1 0 262.422 3.931 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214129 567920039 /nfs/dbraw/zinc/92/00/39/567920039.db2.gz JLGZLQINNHAURH-MRXNPFEDSA-N 1 0 267.376 3.982 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(Cl)cc1C ZINC000072217846 567920149 /nfs/dbraw/zinc/92/01/49/567920149.db2.gz XLJFJBKWYUYPCV-ZDUSSCGKSA-N 1 0 252.789 3.980 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215987 567920229 /nfs/dbraw/zinc/92/02/29/567920229.db2.gz ASMHQXCDBNWZIE-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216101 567920384 /nfs/dbraw/zinc/92/03/84/567920384.db2.gz RNPBKBCUWLXFSK-MRXNPFEDSA-N 1 0 273.424 3.617 40 0 CHABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216041 567920727 /nfs/dbraw/zinc/92/07/27/567920727.db2.gz KPLKULCAKVVYMX-MRXNPFEDSA-N 1 0 273.424 3.617 40 0 CHABRO [NH3+]CC1(c2cc(-c3ccc(Cl)cc3)on2)CCCC1 ZINC000072220693 567921150 /nfs/dbraw/zinc/92/11/50/567921150.db2.gz XQCAQXLMFDHRQO-UHFFFAOYSA-N 1 0 276.767 3.766 40 0 CHABRO CCSc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072217180 567921411 /nfs/dbraw/zinc/92/14/11/567921411.db2.gz QYFNRYJOGHHVLV-ZDUSSCGKSA-N 1 0 250.411 3.739 40 0 CHABRO CNc1ncc([C@@H]2CCCC[N@@H+]2CC(C)C)cc1C ZINC000072219002 567921503 /nfs/dbraw/zinc/92/15/03/567921503.db2.gz LTDQLRXZNFJGMA-HNNXBMFYSA-N 1 0 261.413 3.615 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218862 567921548 /nfs/dbraw/zinc/92/15/48/567921548.db2.gz ZPQXPZZXYQWKDM-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N ZINC000072218467 567921905 /nfs/dbraw/zinc/92/19/05/567921905.db2.gz RJGYWBIHTYKHIT-QGZVFWFLSA-N 1 0 281.403 3.699 40 0 CHABRO CN(c1ccccc1)c1ccc([C@H]([NH3+])c2ccccc2)cn1 ZINC000072225332 567922335 /nfs/dbraw/zinc/92/23/35/567922335.db2.gz ILUBAKYXMAHTMH-LJQANCHMSA-N 1 0 289.382 3.898 40 0 CHABRO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]1C[C@H]2CCCC[C@H]2[C@H]31 ZINC000002124592 567932067 /nfs/dbraw/zinc/93/20/67/567932067.db2.gz HKCFIODYAGNXJQ-BBEGDGIKSA-N 1 0 296.414 3.896 40 0 CHABRO CCC(CC)[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100809762 567936933 /nfs/dbraw/zinc/93/69/33/567936933.db2.gz ZLXWNJLYNFKZQV-OKILXGFUSA-N 1 0 284.444 3.601 40 0 CHABRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000001214712 567937079 /nfs/dbraw/zinc/93/70/79/567937079.db2.gz CRUFBTYGTDNZMU-IKGGRYGDSA-N 1 0 259.393 3.611 40 0 CHABRO O[C@@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001665778 567937311 /nfs/dbraw/zinc/93/73/11/567937311.db2.gz ZGYPFPPCAPRYKE-OALUTQOASA-N 1 0 281.399 3.947 40 0 CHABRO O=C(CC[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000001724559 567937497 /nfs/dbraw/zinc/93/74/97/567937497.db2.gz SWVZNNNOKMRCOT-UHFFFAOYSA-N 1 0 267.372 3.899 40 0 CHABRO FC(F)(F)c1ccccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311692 567944633 /nfs/dbraw/zinc/94/46/33/567944633.db2.gz GICMFWRLGPFRKQ-FGWVZKOKSA-N 1 0 255.283 3.703 40 0 CHABRO Clc1ccc(Cl)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311686 567944780 /nfs/dbraw/zinc/94/47/80/567944780.db2.gz VOYSRMRTOGTYOK-UQPYNNQESA-N 1 0 256.176 3.991 40 0 CHABRO CCCC[NH2+][C@@H](CC)c1ccc(OC)cc1OC ZINC000222635533 567948862 /nfs/dbraw/zinc/94/88/62/567948862.db2.gz RSPWMIVYBGUBER-AWEZNQCLSA-N 1 0 251.370 3.545 40 0 CHABRO CCCC[NH2+][C@H](CC)c1cc(OC)ccc1OC ZINC000222635923 567948994 /nfs/dbraw/zinc/94/89/94/567948994.db2.gz PXPMVKUFUAJCKZ-CQSZACIVSA-N 1 0 251.370 3.545 40 0 CHABRO Cc1c(C[NH2+]C(C)C)c2cc(OC(C)C)ccc2n1C ZINC000223769582 567950784 /nfs/dbraw/zinc/95/07/84/567950784.db2.gz NXUSPMPVFYJDFM-UHFFFAOYSA-N 1 0 274.408 3.772 40 0 CHABRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1OC1CCCC1 ZINC000225162203 567952451 /nfs/dbraw/zinc/95/24/51/567952451.db2.gz RDERECKJMXNEPY-ZBFHGGJFSA-N 1 0 289.419 3.838 40 0 CHABRO CCCC[NH2+]Cc1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000066182005 570245092 /nfs/dbraw/zinc/24/50/92/570245092.db2.gz MTINXWRTYZPBNG-ZDUSSCGKSA-N 1 0 265.397 3.762 40 0 CHABRO CCCCOc1ccc(C[NH2+]C(C)C)cc1OCC ZINC000034651997 570316346 /nfs/dbraw/zinc/31/63/46/570316346.db2.gz JURMUYBGZMGKKC-UHFFFAOYSA-N 1 0 265.397 3.762 40 0 CHABRO Cc1cc2c(cc1C[N@@H+]1CC=CCC(C)(C)C1)OCO2 ZINC000013568397 1120227921 /nfs/dbraw/zinc/22/79/21/1120227921.db2.gz ZVQRICNSXZOMFH-UHFFFAOYSA-N 1 0 273.376 3.512 40 0 CHABRO CC[C@H](C)Oc1cccc([C@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000260572148 1120412215 /nfs/dbraw/zinc/41/22/15/1120412215.db2.gz JLUASHWRFHLWRX-GRDNDAEWSA-N 1 0 277.408 3.694 40 0 CHABRO Cn1cc(Oc2ccc(Cl)cc2)c(C(C)(C)C)[n+]1C ZINC000255188872 1121697039 /nfs/dbraw/zinc/69/70/39/1121697039.db2.gz MDJCWLBDMHGVBN-UHFFFAOYSA-N 1 0 279.791 3.593 40 0 CHABRO CCNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C)[nH+]1 ZINC000329060218 1125452977 /nfs/dbraw/zinc/45/29/77/1125452977.db2.gz WKHXOPUAGSLDNG-UHFFFAOYSA-N 1 0 296.418 3.515 40 0 CHABRO CO[C@@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1ccccc1 ZINC000096061572 185082663 /nfs/dbraw/zinc/08/26/63/185082663.db2.gz ZOXRJBHWJVHDKY-DLBZAZTESA-N 1 0 287.428 3.580 40 0 CHABRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc(OC2CCCC2)c1 ZINC000225167517 189745159 /nfs/dbraw/zinc/74/51/59/189745159.db2.gz LRNVTYKREVBMEX-KSSFIOAISA-N 1 0 289.419 3.838 40 0 CHABRO Cc1cc(=O)[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218166 256708143 /nfs/dbraw/zinc/70/81/43/256708143.db2.gz YXVBGJNEEKPYSG-KRWDZBQOSA-N 1 0 282.387 3.823 40 0 CHABRO c1cnc(SC2CCCCC2)c([C@H]2CCC[NH2+]2)c1 ZINC000072217284 256709350 /nfs/dbraw/zinc/70/93/50/256709350.db2.gz BPHGKWNKMISGQG-CQSZACIVSA-N 1 0 262.422 3.931 40 0 CHABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000054588536 256724533 /nfs/dbraw/zinc/72/45/33/256724533.db2.gz ZELGKUMJOLREBI-WMZOPIPTSA-N 1 0 267.372 3.589 40 0 CHABRO Cc1cc(N2CCCCC2)cc(C)[n+]1Cc1ccccc1 ZINC000001685134 134637800 /nfs/dbraw/zinc/63/78/00/134637800.db2.gz UDLAFTDPTNPXBV-UHFFFAOYSA-N 1 0 281.423 3.630 40 0 CHABRO COc1ccc2c(ccc3c2CC[C@]2(C)CC[NH+]=C32)c1 ZINC000005052839 170061975 /nfs/dbraw/zinc/06/19/75/170061975.db2.gz ZACAJAJLRYUXFS-GOSISDBHSA-N 1 0 265.356 3.994 40 0 CHABRO C[C@H]1C(O)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000005730032 170134314 /nfs/dbraw/zinc/13/43/14/170134314.db2.gz GGCLDJYYOISOSI-URAHIKNTSA-N 1 0 281.399 3.705 40 0 CHABRO COc1ccc(C2([C@H]3[NH2+]CCC4=C3CCCC4)CC2)cc1 ZINC000005766110 170138359 /nfs/dbraw/zinc/13/83/59/170138359.db2.gz OKPBMVNJXZSMGO-SFHVURJKSA-N 1 0 283.415 3.959 40 0 CHABRO CC[NH+](CC)C[C@@H](Oc1ccccc1)C(=O)c1ccccc1 ZINC000006382431 170196609 /nfs/dbraw/zinc/19/66/09/170196609.db2.gz QZQSOAHZXPHQCZ-GOSISDBHSA-N 1 0 297.398 3.659 40 0 CHABRO Cc1ccc([C@@H](C[NH+](C)C)C(=O)c2ccccc2)cc1C ZINC000006522837 170209398 /nfs/dbraw/zinc/20/93/98/170209398.db2.gz WCLJTAOTFJCZJL-GOSISDBHSA-N 1 0 281.399 3.832 40 0 CHABRO CCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000007262401 170274356 /nfs/dbraw/zinc/27/43/56/170274356.db2.gz QPGUJWKQIIICOX-UHFFFAOYSA-N 1 0 273.351 3.904 40 0 CHABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1 ZINC000007538840 170290137 /nfs/dbraw/zinc/29/01/37/170290137.db2.gz SMIPBQDDUCNCJA-UHFFFAOYSA-N 1 0 299.370 3.765 40 0 CHABRO Cc1c(C[NH+](C)C)cccc1[C@H](O)C1CCCCC1 ZINC000008618954 170343401 /nfs/dbraw/zinc/34/34/01/170343401.db2.gz SGJVHOSPVVRFED-QGZVFWFLSA-N 1 0 261.409 3.670 40 0 CHABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020594507 171263642 /nfs/dbraw/zinc/26/36/42/171263642.db2.gz DDJQFAXXZPWWOV-DOPJRALCSA-N 1 0 267.372 3.716 40 0 CHABRO CCCC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000035462434 172210850 /nfs/dbraw/zinc/21/08/50/172210850.db2.gz LQUFRKDVBOIIBV-GFCCVEGCSA-N 1 0 256.187 3.900 40 0 CHABRO C[C@H](C[NH2+]C1CCCCCCC1)C(=O)OC(C)(C)C ZINC000047219151 175405566 /nfs/dbraw/zinc/40/55/66/175405566.db2.gz PHXWVWIKWISESL-CYBMUJFWSA-N 1 0 269.429 3.667 40 0 CHABRO C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072348573 176373575 /nfs/dbraw/zinc/37/35/75/176373575.db2.gz JWUFYHSVNWVEOZ-OAHLLOKOSA-N 1 0 284.378 3.621 40 0 CHABRO CCCCO[C@@H]1C[C@H]2c3ccccc3[C@@H]1c1cccc[n+]12 ZINC000005120982 260017178 /nfs/dbraw/zinc/01/71/78/260017178.db2.gz VCJVDCDMNOMMRL-IPMKNSEASA-N 1 0 280.391 3.598 40 0 CHABRO CC(C)C[NH2+]Cc1cccn1-c1ccccc1Cl ZINC000223684411 567950247 /nfs/dbraw/zinc/95/02/47/567950247.db2.gz WGBWWPGNOQRMRD-UHFFFAOYSA-N 1 0 262.784 3.876 40 0 CHABRO Cc1ccc(C23C[C@H]4C[C@H](CC(C[NH3+])(C4)C2)C3)cc1 ZINC000011617100 566893601 /nfs/dbraw/zinc/89/36/01/566893601.db2.gz DSNJWBWIHZBKBY-BXXOZEPKSA-N 1 0 255.405 3.792 40 0 CHABRO COc1cc2[nH+]ccc(Nc3cccc(N)c3)c2cc1OC ZINC000064875365 567111113 /nfs/dbraw/zinc/11/11/13/567111113.db2.gz RMULSNZCRDUUCB-UHFFFAOYSA-N 1 0 295.342 3.578 40 0 CHABRO Brc1ccc(-c2csc3cccc[n+]32)cc1 ZINC000000157928 567820661 /nfs/dbraw/zinc/82/06/61/567820661.db2.gz CUNGZYWVXODATH-UHFFFAOYSA-N 1 0 291.193 3.916 40 0 CHABRO CCC[NH2+]Cc1ccc(O[C@@H](C)CC)c(OCC)c1 ZINC000034815811 567828066 /nfs/dbraw/zinc/82/80/66/567828066.db2.gz HZMLTWDSJPPVCN-ZDUSSCGKSA-N 1 0 265.397 3.762 40 0 CHABRO Cc1c(C[NH+](C)C)cccc1[C@@H](O)C1CCCCC1 ZINC000001604268 567839345 /nfs/dbraw/zinc/83/93/45/567839345.db2.gz SGJVHOSPVVRFED-KRWDZBQOSA-N 1 0 261.409 3.670 40 0 CHABRO CC[NH+](CC)C[C@H](O)c1cccc2cc(Cl)ccc21 ZINC000001628192 567839778 /nfs/dbraw/zinc/83/97/78/567839778.db2.gz AKAWUSJVGKOWBC-INIZCTEOSA-N 1 0 277.795 3.868 40 0 CHABRO Cc1cc(C)c(C)c(C(=O)OCC[NH+]2CCCCC2)c1C ZINC000001661315 567840399 /nfs/dbraw/zinc/84/03/99/567840399.db2.gz UHSUMQHGAZPWAI-UHFFFAOYSA-N 1 0 289.419 3.563 40 0 CHABRO CCCCOC(OCCCC)C(C)(C)C[NH+](C)C ZINC000001724879 567842949 /nfs/dbraw/zinc/84/29/49/567842949.db2.gz FLPFAJDQYYZFJD-UHFFFAOYSA-N 1 0 259.434 3.534 40 0 CHABRO Brc1ccccc1C[n+]1cccc2ccccc21 ZINC000001870598 567843855 /nfs/dbraw/zinc/84/38/55/567843855.db2.gz VLIRXLSMGBEEPY-UHFFFAOYSA-N 1 0 299.191 3.938 40 0 CHABRO C[C@@H]1CCCC[N@@H+]1CCCSC(=O)c1ccccc1 ZINC000002042393 567844319 /nfs/dbraw/zinc/84/43/19/567844319.db2.gz WWWKIGOKQIQJRK-CQSZACIVSA-N 1 0 277.433 3.825 40 0 CHABRO c1cnc2n[nH]c(C3CC[NH+](CC4CCCCC4)CC3)c2c1 ZINC000012186665 567862216 /nfs/dbraw/zinc/86/22/16/567862216.db2.gz CMJIVRRHNDCPNQ-UHFFFAOYSA-N 1 0 298.434 3.718 40 0 CHABRO CCCCN1CC[N@H+](CCCC)[C@H]2CCCC[C@@H]21 ZINC000019365564 567877323 /nfs/dbraw/zinc/87/73/23/567877323.db2.gz UYPHWUXYKSXDIF-HOTGVXAUSA-N 1 0 252.446 3.515 40 0 CHABRO Fc1ccccc1CC[NH2+]Cc1cccc(Cl)c1 ZINC000019912802 567879575 /nfs/dbraw/zinc/87/95/75/567879575.db2.gz WAFLXSWVOVGIHI-UHFFFAOYSA-N 1 0 263.743 3.811 40 0 CHABRO Nc1c(Br)cnc2cc(C(F)(F)F)ccc12 ZINC000041702277 567891302 /nfs/dbraw/zinc/89/13/02/567891302.db2.gz JNJZJPRNHZGOOD-UHFFFAOYSA-N 1 0 291.070 3.598 40 0 CHABRO CC(C)c1ccc2oc(C3=CC[N@H+](C)CC3)nc2c1 ZINC000073635997 567893029 /nfs/dbraw/zinc/89/30/29/567893029.db2.gz YWQBBBFWYSHALN-UHFFFAOYSA-N 1 0 256.349 3.670 40 0 CHABRO CCC[N@H+]1CC=C(c2nc3cc(CC)ccc3o2)CC1 ZINC000073636269 567893301 /nfs/dbraw/zinc/89/33/01/567893301.db2.gz ONTJCJDYNUBBRM-UHFFFAOYSA-N 1 0 270.376 3.889 40 0 CHABRO [NH3+]Cc1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000073638468 567893520 /nfs/dbraw/zinc/89/35/20/567893520.db2.gz RFBMPVQVMGFZCW-UHFFFAOYSA-N 1 0 286.556 3.821 40 0 CHABRO Clc1ccc(Br)cc1[C@H]1CCC[NH2+]1 ZINC000003732365 567905307 /nfs/dbraw/zinc/90/53/07/567905307.db2.gz HWGOBFOHCBTYIR-SNVBAGLBSA-N 1 0 260.562 3.527 40 0 CHABRO [NH3+]C1(n2sc(=S)c3c2CCCC3)CCCCC1 ZINC000100368025 567913081 /nfs/dbraw/zinc/91/30/81/567913081.db2.gz AQXILPRHZTYRIE-UHFFFAOYSA-N 1 0 268.451 3.779 40 0 CHABRO [NH3+]C1(c2cccc3cccc(Br)c32)CC1 ZINC000258670086 567917253 /nfs/dbraw/zinc/91/72/53/567917253.db2.gz VJAUMNLNOTUJMZ-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO CC(C)(C)[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC1 ZINC000072210205 567917603 /nfs/dbraw/zinc/91/76/03/567917603.db2.gz ZBUIOMZLVRDWLL-MRXNPFEDSA-N 1 0 256.393 3.877 40 0 CHABRO CCOC(=O)C[C@H](c1cccc(Cl)c1)[NH+](CC)CC ZINC000072210301 567917913 /nfs/dbraw/zinc/91/79/13/567917913.db2.gz DGDZCGBZISARCE-CQSZACIVSA-N 1 0 283.799 3.676 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(NCC)nc1 ZINC000072213099 567918072 /nfs/dbraw/zinc/91/80/72/567918072.db2.gz LENUPCVIHYELCI-HNNXBMFYSA-N 1 0 261.413 3.841 40 0 CHABRO CCNc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072213096 567918291 /nfs/dbraw/zinc/91/82/91/567918291.db2.gz BDKAJMKNMCCWIQ-HNNXBMFYSA-N 1 0 261.413 3.696 40 0 CHABRO CCCNc1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1 ZINC000072213212 567918559 /nfs/dbraw/zinc/91/85/59/567918559.db2.gz QJWLBMOLIOFMST-HNNXBMFYSA-N 1 0 261.413 3.841 40 0 CHABRO c1cnc(NC2CCCCC2)c(C2=[NH+]CCCC2)c1 ZINC000072214029 567919152 /nfs/dbraw/zinc/91/91/52/567919152.db2.gz WCGZCQPFFIOTLE-UHFFFAOYSA-N 1 0 257.381 3.799 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213783 567919319 /nfs/dbraw/zinc/91/93/19/567919319.db2.gz XTDVAMJHZSCTJI-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214309 567919715 /nfs/dbraw/zinc/91/97/15/567919715.db2.gz JYMVNBAHLKECBD-CYBMUJFWSA-N 1 0 291.395 3.585 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217799 567920360 /nfs/dbraw/zinc/92/03/60/567920360.db2.gz ZNHOHOOQWOUIOO-ZDUSSCGKSA-N 1 0 252.789 3.980 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216043 567920708 /nfs/dbraw/zinc/92/07/08/567920708.db2.gz QNOUUIAADGOAQS-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1SC ZINC000072216959 567921058 /nfs/dbraw/zinc/92/10/58/567921058.db2.gz NQOCQQMVFUAUAX-CYBMUJFWSA-N 1 0 250.411 3.741 40 0 CHABRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000072219447 567921563 /nfs/dbraw/zinc/92/15/63/567921563.db2.gz XLRWYEXAQQCLGG-KRWDZBQOSA-N 1 0 252.361 3.727 40 0 CHABRO CNc1cc(C)c([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072219030 567921880 /nfs/dbraw/zinc/92/18/80/567921880.db2.gz JIKHSVKCPHDXPW-QGZVFWFLSA-N 1 0 281.403 3.769 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218817 567921931 /nfs/dbraw/zinc/92/19/31/567921931.db2.gz GQWRDJAZQAGEKG-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]1C[C@H]2CCCC[C@@H]2[C@H]31 ZINC000004026531 567932362 /nfs/dbraw/zinc/93/23/62/567932362.db2.gz HKCFIODYAGNXJQ-SPKLELGKSA-N 1 0 296.414 3.896 40 0 CHABRO O[C@H](c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001665777 567937358 /nfs/dbraw/zinc/93/73/58/567937358.db2.gz ZGYPFPPCAPRYKE-RTBURBONSA-N 1 0 281.399 3.947 40 0 CHABRO Clc1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000096311699 567944630 /nfs/dbraw/zinc/94/46/30/567944630.db2.gz PZPRDDUDMDQGGU-PBINXNQUSA-N 1 0 256.176 3.991 40 0 CHABRO COCCC[NH2+]Cc1cccn1-c1cccc(Cl)c1C ZINC000223685806 567950255 /nfs/dbraw/zinc/95/02/55/567950255.db2.gz GGGBYJOOZUJRRF-UHFFFAOYSA-N 1 0 292.810 3.565 40 0 CHABRO CCC[NH2+]Cc1cc(C)n(Cc2ccc(C)cc2)c1C ZINC000223663347 567950435 /nfs/dbraw/zinc/95/04/35/567950435.db2.gz UARYDMLAXLISFO-UHFFFAOYSA-N 1 0 270.420 3.961 40 0 CHABRO CCC[NH2+]Cc1c(C)n(CC(C)C)c2ccc(O)cc12 ZINC000223765552 567950644 /nfs/dbraw/zinc/95/06/44/567950644.db2.gz PTHQETCRQWSDQO-UHFFFAOYSA-N 1 0 274.408 3.811 40 0 CHABRO C[C@H](Cc1ccccc1)[NH2+]C/C=C\c1ccccc1 ZINC000207682776 570298939 /nfs/dbraw/zinc/29/89/39/570298939.db2.gz NMMSKGCUFGCREC-LPDYGMJQSA-N 1 0 251.373 3.921 40 0 CHABRO C[NH2+]CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000002042606 570384143 /nfs/dbraw/zinc/38/41/43/570384143.db2.gz DVZMCGNRHJEGHP-LLVKDONJSA-N 1 0 277.799 3.688 40 0 CHABRO CC[C@H](C)Oc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000260571611 1120413055 /nfs/dbraw/zinc/41/30/55/1120413055.db2.gz AEGZFYICSOOIQG-RRFJBIMHSA-N 1 0 277.408 3.694 40 0 CHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCCOc2ccccc2C=O)C1 ZINC000217796455 230396784 /nfs/dbraw/zinc/39/67/84/230396784.db2.gz CEXLILJLAPBTAC-HZPDHXFCSA-N 1 0 289.419 3.636 40 0 CHABRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540982 529374623 /nfs/dbraw/zinc/37/46/23/529374623.db2.gz JKUGUMRUYXRVFE-OLZOCXBDSA-N 1 0 273.376 3.888 40 0 CHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](C(C)C)CO3)CC2)o1 ZINC000096047902 185072904 /nfs/dbraw/zinc/07/29/04/185072904.db2.gz LOGUFWAFNNODDT-HNNXBMFYSA-N 1 0 277.408 3.615 40 0 CHABRO c1csc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC000096049292 185073647 /nfs/dbraw/zinc/07/36/47/185073647.db2.gz IRVINRIJFMIJPD-UHFFFAOYSA-N 1 0 290.476 3.589 40 0 CHABRO Cc1nc(N2Cc3ccccc3C[C@@H]2C)cc(NC(C)C)[nH+]1 ZINC000329006756 136377191 /nfs/dbraw/zinc/37/71/91/136377191.db2.gz LEGDZCPYMCIQPR-ZDUSSCGKSA-N 1 0 296.418 3.557 40 0 CHABRO CC[C@H](C)Oc1ccc([C@H](C)[NH2+]CCCOC)cc1 ZINC000225170142 189745010 /nfs/dbraw/zinc/74/50/10/189745010.db2.gz WOOPXKSILOWVOP-KBPBESRZSA-N 1 0 265.397 3.551 40 0 CHABRO CC(C)n1nc(C2CC2)cc1C[NH2+]CCc1ccccc1 ZINC000256049497 190002233 /nfs/dbraw/zinc/00/22/33/190002233.db2.gz AESWHRLIKVZESH-UHFFFAOYSA-N 1 0 283.419 3.674 40 0 CHABRO CC(C)[N@@H+]1CCC[C@@H](c2ccc(-c3nccs3)cn2)C1 ZINC000257294530 190028202 /nfs/dbraw/zinc/02/82/02/190028202.db2.gz QUOZVFJKXMSBPA-CQSZACIVSA-N 1 0 287.432 3.793 40 0 CHABRO Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc2nccn21 ZINC000257319029 190033710 /nfs/dbraw/zinc/03/37/10/190033710.db2.gz VQJVMXJZACXGAF-MRXNPFEDSA-N 1 0 295.361 3.811 40 0 CHABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000242463508 256698853 /nfs/dbraw/zinc/69/88/53/256698853.db2.gz DDJQFAXXZPWWOV-KKXDTOCCSA-N 1 0 267.372 3.716 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213840 256712460 /nfs/dbraw/zinc/71/24/60/256712460.db2.gz XBHBAWNZMYOTPJ-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213901 256713276 /nfs/dbraw/zinc/71/32/76/256713276.db2.gz XRXHOJVCUNHNRM-MRXNPFEDSA-N 1 0 273.424 3.839 40 0 CHABRO C[C@@H]1C[NH+](C)C[C@@H](C)C1(O)CCc1ccc2ccccc2c1 ZINC000001425761 169704140 /nfs/dbraw/zinc/70/41/40/169704140.db2.gz KMNOSAADKQHMHJ-HZPDHXFCSA-N 1 0 297.442 3.721 40 0 CHABRO C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2[NH3+] ZINC000004217190 169944932 /nfs/dbraw/zinc/94/49/32/169944932.db2.gz OMKYOYBEVIPBMI-YISWTCPOSA-N 1 0 291.479 3.717 40 0 in-vitro CHABRO C[C@@](O)(c1ccccc1)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000004783480 170015997 /nfs/dbraw/zinc/01/59/97/170015997.db2.gz KDFJCXJFHLCCRU-XUVXKRRUSA-N 1 0 295.426 3.820 40 0 CHABRO CCCCCCOC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000005523992 170108206 /nfs/dbraw/zinc/10/82/06/170108206.db2.gz HVZIZJATIKUIKV-OAHLLOKOSA-N 1 0 286.460 3.803 40 0 CHABRO COc1ccc(C2C[C@H](c3ccccc3)C(C)(C)[N+]2=O)cc1 ZINC000005640892 170123078 /nfs/dbraw/zinc/12/30/78/170123078.db2.gz NZNKHJOMLMNGAW-QGZVFWFLSA-N 1 0 295.382 3.961 40 0 CHABRO O=C1c2ccc3ccccc3c2CC[C@@H]1[NH+]1CCCCC1 ZINC000005700724 170131050 /nfs/dbraw/zinc/13/10/50/170131050.db2.gz DEWCHKWQJYCBCB-SFHVURJKSA-N 1 0 279.383 3.823 40 0 CHABRO [NH3+]Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000005762952 170138202 /nfs/dbraw/zinc/13/82/02/170138202.db2.gz JQLZMRAHLKTQOJ-UHFFFAOYSA-N 1 0 251.251 3.831 40 0 CHABRO CCC1=C(C)CC[N@H+](C)[C@H]1Cc1ccc(OC)cc1 ZINC000005964890 170163289 /nfs/dbraw/zinc/16/32/89/170163289.db2.gz AHSPWXSKMOGFRH-KRWDZBQOSA-N 1 0 259.393 3.668 40 0 CHABRO CC[C@H](O)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000006411671 170199181 /nfs/dbraw/zinc/19/91/81/170199181.db2.gz WKQWJEXZFBJISX-IBGZPJMESA-N 1 0 297.442 3.695 40 0 CHABRO CC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000006497346 170207379 /nfs/dbraw/zinc/20/73/79/170207379.db2.gz IMJIKUUPHPBDOL-UHFFFAOYSA-N 1 0 259.324 3.514 40 0 CHABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OC ZINC000007538065 170290348 /nfs/dbraw/zinc/29/03/48/170290348.db2.gz RVJZGQPRNWXBKB-UHFFFAOYSA-N 1 0 285.387 3.692 40 0 CHABRO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCC ZINC000008253875 170327355 /nfs/dbraw/zinc/32/73/55/170327355.db2.gz QRLRBYHEFFKHSP-UHFFFAOYSA-N 1 0 285.815 3.883 40 0 CHABRO CCOc1ccc(C[NH2+]C2CCCCC2)cc1OC ZINC000008324683 170331227 /nfs/dbraw/zinc/33/12/27/170331227.db2.gz WTVHMQKWEVRQOC-UHFFFAOYSA-N 1 0 263.381 3.516 40 0 CHABRO Cn1cccc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008534561 170339391 /nfs/dbraw/zinc/33/93/91/170339391.db2.gz RWEQMTOXLAAIBO-JGAFYBCUSA-N 1 0 272.436 3.864 40 0 CHABRO CC[C@H]1CCCC[N@@H+]1CCCOc1ccc(C=O)cc1 ZINC000008731534 170351375 /nfs/dbraw/zinc/35/13/75/170351375.db2.gz FFJLQVVISDKCDX-INIZCTEOSA-N 1 0 275.392 3.533 40 0 CHABRO CCCC[NH2+]Cc1ccc(OCCC)c(OCC)c1 ZINC000020933207 171281135 /nfs/dbraw/zinc/28/11/35/171281135.db2.gz DWLKHXABRPOSDH-UHFFFAOYSA-N 1 0 265.397 3.764 40 0 CHABRO COc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000022005456 171348671 /nfs/dbraw/zinc/34/86/71/171348671.db2.gz DGODCJUPOVOBKP-UHFFFAOYSA-N 1 0 279.383 3.985 40 0 CHABRO CC[C@@H](C)n1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000040408311 174254089 /nfs/dbraw/zinc/25/40/89/174254089.db2.gz FRFYXETXTQLVLL-SNVBAGLBSA-N 1 0 265.788 3.552 40 0 CHABRO C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359278 176376671 /nfs/dbraw/zinc/37/66/71/176376671.db2.gz QQVMGTAWWUXOHI-ZDUSSCGKSA-N 1 0 287.794 3.606 40 0 CHABRO Clc1ccccc1-c1ccnc(C2CC[NH2+]CC2)c1 ZINC000072386798 176392007 /nfs/dbraw/zinc/39/20/07/176392007.db2.gz QHLBSWCUZKYWAL-UHFFFAOYSA-N 1 0 272.779 3.869 40 0 CHABRO C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC2)C1 ZINC000072393354 176394415 /nfs/dbraw/zinc/39/44/15/176394415.db2.gz KOACDBZYQWAWEP-GFCCVEGCSA-N 1 0 269.392 3.672 40 0 CHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(F)cc2)on1 ZINC000072395091 176394546 /nfs/dbraw/zinc/39/45/46/176394546.db2.gz VCNAMSVYMCTHEJ-WMLDXEAASA-N 1 0 288.366 3.623 40 0 CHABRO c1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]C[C@H]2CCOC2)cc1 ZINC000257207202 327122541 /nfs/dbraw/zinc/12/25/41/327122541.db2.gz BGTSCRBVFFYYHM-IQRFUGTFSA-N 1 0 285.431 3.585 40 0 CHABRO CC(C)(C)c1ccc(N2CC[NH2+][C@H]3CCCC[C@H]32)cc1 ZINC000218837577 333137097 /nfs/dbraw/zinc/13/70/97/333137097.db2.gz FAEJKDIDUFPESY-DLBZAZTESA-N 1 0 272.436 3.705 40 0 CHABRO CCSc1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072217185 567920872 /nfs/dbraw/zinc/92/08/72/567920872.db2.gz GAHLGKNYILYNJE-CQSZACIVSA-N 1 0 264.438 3.987 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213507 567919331 /nfs/dbraw/zinc/91/93/31/567919331.db2.gz FIZLAPMVBYATNF-DZGCQCFKSA-N 1 0 261.413 3.839 40 0 CHABRO Clc1ccc(COC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000028521982 566946352 /nfs/dbraw/zinc/94/63/52/566946352.db2.gz CEGNUXJEBIUJDL-LLVKDONJSA-N 1 0 274.191 3.510 40 0 CHABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1F ZINC000012342208 567073115 /nfs/dbraw/zinc/07/31/15/567073115.db2.gz RVQIYLDWJBKUAL-IHRRRGAJSA-N 1 0 293.382 3.634 40 0 CHABRO Clc1cccc(C[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000062718660 567109444 /nfs/dbraw/zinc/10/94/44/567109444.db2.gz GQHVEMQIKKLNJC-UHFFFAOYSA-N 1 0 299.805 3.939 40 0 CHABRO Cc1cc([C@@H](c2ccccc2)[NH+](C)C)cc(C)c1O ZINC000255189422 567110298 /nfs/dbraw/zinc/11/02/98/567110298.db2.gz PUBUITBGPJKZIK-MRXNPFEDSA-N 1 0 255.361 3.660 40 0 CHABRO C[C@H]1CCC[C@@H]([NH+]2CCN(C[C@H]3CC=CCC3)CC2)C1 ZINC000019900119 567121861 /nfs/dbraw/zinc/12/18/61/567121861.db2.gz PRIBEPJSCZVEBS-OKZBNKHCSA-N 1 0 276.468 3.539 40 0 CHABRO CC1=NN(c2ccccc2)[C@@H]2c3ccccc3[N+](=O)C(C)[C@H]12 ZINC000000162200 567820728 /nfs/dbraw/zinc/82/07/28/567820728.db2.gz BWMMOELXELJKRE-ZWKOTPCHSA-N 1 0 291.354 3.856 40 0 CHABRO c1c(-c2ccccc2)n(-c2ccccc2)c2cccc[n+]12 ZINC000000396031 567828914 /nfs/dbraw/zinc/82/89/14/567828914.db2.gz KDPUIFDPQYPQRK-UHFFFAOYSA-N 1 0 271.343 3.883 40 0 CHABRO C[NH+](C)CCOc1ccccc1Cc1cccc(Cl)c1 ZINC000001586331 567838769 /nfs/dbraw/zinc/83/87/69/567838769.db2.gz QPQOFPPOKWKBRZ-UHFFFAOYSA-N 1 0 289.806 3.871 40 0 CHABRO CCN(CC)c1ccc(C[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000001621072 567839607 /nfs/dbraw/zinc/83/96/07/567839607.db2.gz LQZWCVZVPZHHTD-XLIONFOSSA-N 1 0 295.426 3.981 40 0 CHABRO CC[C@@H](C)[C@H](C(=O)OCC[NH+](CC)CC)c1ccccc1 ZINC000001649105 567840112 /nfs/dbraw/zinc/84/01/12/567840112.db2.gz LKQUJKDIEHGPLY-WBVHZDCISA-N 1 0 291.435 3.701 40 0 CHABRO O[C@@H](c1cccc2cc(Cl)ccc21)[C@H]1CCCC[NH2+]1 ZINC000001655467 567840233 /nfs/dbraw/zinc/84/02/33/567840233.db2.gz UUUVXBQKOPGAGB-CVEARBPZSA-N 1 0 275.779 3.669 40 0 CHABRO O[C@@H](c1ccccc1)[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000001668059 567840578 /nfs/dbraw/zinc/84/05/78/567840578.db2.gz HUGKXSARDXPQDU-UXHICEINSA-N 1 0 295.426 3.817 40 0 CHABRO O[C@@H](c1ccccc1)[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000001668058 567840604 /nfs/dbraw/zinc/84/06/04/567840604.db2.gz HUGKXSARDXPQDU-PMACEKPBSA-N 1 0 295.426 3.817 40 0 CHABRO Cc1cc(C)c2c(c1)CC(C)(C)C[C@]2(O)[C@H]1CCCC[NH2+]1 ZINC000001668787 567840856 /nfs/dbraw/zinc/84/08/56/567840856.db2.gz GLZCSJATWRPEOC-APWZRJJASA-N 1 0 287.447 3.606 40 0 CHABRO CC[NH+](CC)CCO[C@H]1CCCC[C@@H]1Cc1ccccn1 ZINC000001675101 567841084 /nfs/dbraw/zinc/84/10/84/567841084.db2.gz FZAOVOGLQIIWGX-AEFFLSMTSA-N 1 0 290.451 3.541 40 0 CHABRO CC(C)C[NH+](CC(=O)Nc1cccc(Cl)c1)CC(C)C ZINC000001672729 567841155 /nfs/dbraw/zinc/84/11/55/567841155.db2.gz FVECHTHFSUFXBF-UHFFFAOYSA-N 1 0 296.842 3.893 40 0 CHABRO CC[C@@H](O)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001681952 567841273 /nfs/dbraw/zinc/84/12/73/567841273.db2.gz WKQWJEXZFBJISX-LJQANCHMSA-N 1 0 297.442 3.695 40 0 CHABRO O[C@H](c1cc2c(c3ccccc31)CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000001706373 567842079 /nfs/dbraw/zinc/84/20/79/567842079.db2.gz OBRVSZOCVKHAJH-VQTJNVASSA-N 1 0 295.426 3.894 40 0 CHABRO CCCC[NH+](CCCC)[C@@H]1CCC[C@H](OC(=O)NC)C1 ZINC000001714564 567842398 /nfs/dbraw/zinc/84/23/98/567842398.db2.gz NTJFHLLKGBXEJW-CABCVRRESA-N 1 0 284.444 3.556 40 0 CHABRO C[NH+](C)CC(C)(C)Oc1ccccc1Cc1ccccc1 ZINC000001718675 567842515 /nfs/dbraw/zinc/84/25/15/567842515.db2.gz ZVSLERSLGCJAFL-UHFFFAOYSA-N 1 0 283.415 3.996 40 0 CHABRO OC(C[NH2+]C1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001843022 567843474 /nfs/dbraw/zinc/84/34/74/567843474.db2.gz NNKPHUWXTHIMLW-UHFFFAOYSA-N 1 0 295.426 3.845 40 0 CHABRO CC[NH+](CC)C[C@@](CC)(c1ccccc1)C1(O)CCCC1 ZINC000002043277 567844356 /nfs/dbraw/zinc/84/43/56/567844356.db2.gz CTRJMWKCAXNZAW-SFHVURJKSA-N 1 0 289.463 3.981 40 0 CHABRO Nc1ccc(C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000002509736 567846279 /nfs/dbraw/zinc/84/62/79/567846279.db2.gz IFCBNARSMLNWNX-UHFFFAOYSA-N 1 0 280.415 3.691 40 0 CHABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH3+] ZINC000004451754 567857904 /nfs/dbraw/zinc/85/79/04/567857904.db2.gz SXFQJBRXNODJBV-LOVVWNRFSA-N 1 0 289.463 3.637 40 0 CHABRO CCc1cc2ccccc2nc1SCC[NH+]1CCCC1 ZINC000004929974 567859139 /nfs/dbraw/zinc/85/91/39/567859139.db2.gz XLTIXPHSSLZGQZ-UHFFFAOYSA-N 1 0 286.444 3.985 40 0 CHABRO COc1ccccc1C1C(C)=Nc2ccccc2[N-]C1=[NH2+] ZINC000013637109 567866631 /nfs/dbraw/zinc/86/66/31/567866631.db2.gz FXNINUUSDPTNMD-UHFFFAOYSA-N 1 0 279.343 3.541 40 0 CHABRO CC(C)(C)[N@@H+]1CCO[C@@H](c2cc3ccccc3o2)C1 ZINC000014982180 567870019 /nfs/dbraw/zinc/87/00/19/567870019.db2.gz FSLQAJDYQZJWQT-OAHLLOKOSA-N 1 0 259.349 3.605 40 0 CHABRO Cn1c(C=CC=Cc2ccccc2)[o+]c2ccccc21 ZINC000017157667 567874985 /nfs/dbraw/zinc/87/49/85/567874985.db2.gz DRZBHELREJXBBS-OWBBHAKYSA-N 1 0 262.332 3.984 40 0 CHABRO O[C@@H](/C=C/c1ccccc1)CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000017378387 567875839 /nfs/dbraw/zinc/87/58/39/567875839.db2.gz JYGDXORVNYESLN-MRUBZEKTSA-N 1 0 285.431 3.573 40 0 CHABRO [NH3+][C@@H](c1cccs1)c1ccc(Br)cc1 ZINC000019841991 567879220 /nfs/dbraw/zinc/87/92/20/567879220.db2.gz GSIUHOHMHXTASL-LLVKDONJSA-N 1 0 268.179 3.559 40 0 CHABRO [NH3+]Cc1ccc(-c2ccc(Cl)cc2)nc1Cl ZINC000089261635 567907347 /nfs/dbraw/zinc/90/73/47/567907347.db2.gz UQCVFXUHHNEUDS-UHFFFAOYSA-N 1 0 253.132 3.514 40 0 CHABRO O[C@H]1[C@@H]2CCC[C@H]1[C@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000100672325 567913713 /nfs/dbraw/zinc/91/37/13/567913713.db2.gz USAKVYHRWZXKIZ-LJDSDSDDSA-N 1 0 293.410 3.849 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(Br)nc1 ZINC000072211556 567917717 /nfs/dbraw/zinc/91/77/17/567917717.db2.gz YHHIFXGMOKGGGP-GFCCVEGCSA-N 1 0 283.213 3.637 40 0 CHABRO [NH3+]C1(c2ccc3cc(Br)ccc3c2)CC1 ZINC000258731432 567917283 /nfs/dbraw/zinc/91/72/83/567917283.db2.gz YETFJTWUJUGIFS-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO CCOC(=O)C[C@H](c1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000072210311 567917501 /nfs/dbraw/zinc/91/75/01/567917501.db2.gz RPTFEHKMIOQHFU-OAHLLOKOSA-N 1 0 295.810 3.820 40 0 CHABRO c1ccc(Oc2ncccc2[C@H]2CCCC[NH2+]2)cc1 ZINC000072212212 567918094 /nfs/dbraw/zinc/91/80/94/567918094.db2.gz XLBLZEAWCCWOOE-OAHLLOKOSA-N 1 0 254.333 3.689 40 0 CHABRO CCNc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072213097 567918657 /nfs/dbraw/zinc/91/86/57/567918657.db2.gz BDKAJMKNMCCWIQ-OAHLLOKOSA-N 1 0 261.413 3.696 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213949 567918804 /nfs/dbraw/zinc/91/88/04/567918804.db2.gz QEGUSAHYFCDTME-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216634 567920301 /nfs/dbraw/zinc/92/03/01/567920301.db2.gz NDGBCULDKIDPPN-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO c1ccc(Sc2ncccc2[C@H]2CCC[NH2+]2)cc1 ZINC000072217644 567920464 /nfs/dbraw/zinc/92/04/64/567920464.db2.gz ABJIBAJRYAOASR-CQSZACIVSA-N 1 0 256.374 3.657 40 0 CHABRO CCSc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072217137 567920920 /nfs/dbraw/zinc/92/09/20/567920920.db2.gz ASXFAWIRLBQIDB-CYBMUJFWSA-N 1 0 250.411 3.741 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218278 567920934 /nfs/dbraw/zinc/92/09/34/567920934.db2.gz YFOJOXFZSTVKJS-CYBMUJFWSA-N 1 0 250.411 3.616 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1SCC ZINC000072217183 567921123 /nfs/dbraw/zinc/92/11/23/567921123.db2.gz NRNJUOHPUWCFMS-ZDUSSCGKSA-N 1 0 250.411 3.741 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218818 567921517 /nfs/dbraw/zinc/92/15/17/567921517.db2.gz ZFXBBNMIPMTLQX-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(NC)c(C)c1 ZINC000072219004 567921754 /nfs/dbraw/zinc/92/17/54/567921754.db2.gz BWNHDBCHFGQOGQ-OAHLLOKOSA-N 1 0 261.413 3.759 40 0 CHABRO CC[C@H]([NH3+])c1cnc(Sc2ccccc2)c(C)c1 ZINC000072222152 567922392 /nfs/dbraw/zinc/92/23/92/567922392.db2.gz LQGNYGPUZJQSKM-AWEZNQCLSA-N 1 0 258.390 3.951 40 0 CHABRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013731513 567942053 /nfs/dbraw/zinc/94/20/53/567942053.db2.gz QQJOPKBZXNOJRJ-UHFFFAOYSA-N 1 0 297.373 3.921 40 0 CHABRO CCN(CC)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019364993 567944768 /nfs/dbraw/zinc/94/47/68/567944768.db2.gz JEORTHKQPXKVMO-FQEVSTJZSA-N 1 0 296.458 3.902 40 0 CHABRO COc1ccc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1 ZINC000019415865 567944813 /nfs/dbraw/zinc/94/48/13/567944813.db2.gz QJIFUHQJTOGINK-AWEZNQCLSA-N 1 0 281.277 3.762 40 0 CHABRO Cc1c(C[NH2+]C(C)C)c2cc(O)ccc2n1CC(C)C ZINC000223768618 567950601 /nfs/dbraw/zinc/95/06/01/567950601.db2.gz FYHCJVNUYAGWRA-UHFFFAOYSA-N 1 0 274.408 3.809 40 0 CHABRO CC[C@H](C)Oc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225162661 567952223 /nfs/dbraw/zinc/95/22/23/567952223.db2.gz AEGZFYICSOOIQG-KKUMJFAQSA-N 1 0 277.408 3.694 40 0 CHABRO C[C@@H](NC(=S)Nc1ccncc1)c1ccc(Cl)cc1 ZINC000225179163 567952727 /nfs/dbraw/zinc/95/27/27/567952727.db2.gz MWBOXJSJJVPBCB-SNVBAGLBSA-N 1 0 291.807 3.783 40 0 CHABRO CCCCOc1ccc(C[NH2+]CCC)cc1OCC ZINC000034652095 570223890 /nfs/dbraw/zinc/22/38/90/570223890.db2.gz PXCIEOJAMXEONH-UHFFFAOYSA-N 1 0 265.397 3.764 40 0 CHABRO CCC(=O)Nc1cc(N2[C@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216865050 570346793 /nfs/dbraw/zinc/34/67/93/570346793.db2.gz DNNMJZUXQMPDGO-BETUJISGSA-N 1 0 289.423 3.693 40 0 CHABRO Cc1ccc([C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000140727647 1128950525 /nfs/dbraw/zinc/95/05/25/1128950525.db2.gz MRJDEFWKIOSCAG-LPHOPBHVSA-N 1 0 281.399 3.957 40 0 CHABRO CNc1cc(N2Cc3ccccc3C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000329014411 136377618 /nfs/dbraw/zinc/37/76/18/136377618.db2.gz MWGDHZYXZNOWON-CYBMUJFWSA-N 1 0 296.418 3.593 40 0 CHABRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1OC1CCCC1 ZINC000225162245 189744616 /nfs/dbraw/zinc/74/46/16/189744616.db2.gz RDERECKJMXNEPY-HOCLYGCPSA-N 1 0 289.419 3.838 40 0 CHABRO CC[C@@H](C)Oc1ccccc1[C@H](C)[NH2+]CCCOC ZINC000225161724 189744640 /nfs/dbraw/zinc/74/46/40/189744640.db2.gz RVPYOISYUKKLEQ-KGLIPLIRSA-N 1 0 265.397 3.551 40 0 CHABRO [NH3+][C@@H]1CC2(CCC2)Sc2cc(Br)ccc21 ZINC000238678273 189901206 /nfs/dbraw/zinc/90/12/06/189901206.db2.gz IEODLMYQSBMIML-SNVBAGLBSA-N 1 0 284.222 3.867 40 0 CHABRO CC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)CC)cc1OC ZINC000066116161 184570580 /nfs/dbraw/zinc/57/05/80/184570580.db2.gz FYSYRBSXBBTMKZ-QWHCGFSZSA-N 1 0 265.397 3.761 40 0 CHABRO Cc1cc([C@H]2CCC[N@H+]2CC(C)C)cnc1N1CCCC1 ZINC000072218804 256708139 /nfs/dbraw/zinc/70/81/39/256708139.db2.gz UQXLOXOAIHYHLY-QGZVFWFLSA-N 1 0 287.451 3.783 40 0 CHABRO CCN(C)c1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072212738 256713998 /nfs/dbraw/zinc/71/39/98/256713998.db2.gz OGMORFPQSNTMLI-INIZCTEOSA-N 1 0 275.440 3.721 40 0 CHABRO CCC1=C(C)C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C1 ZINC000004972683 170047428 /nfs/dbraw/zinc/04/74/28/170047428.db2.gz PENYLLAPQCWEOG-INIZCTEOSA-N 1 0 287.403 3.733 40 0 CHABRO CC(C)COC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005962693 170163888 /nfs/dbraw/zinc/16/38/88/170163888.db2.gz HYIJHOKIEBOURB-KRWDZBQOSA-N 1 0 289.419 3.803 40 0 CHABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000005998916 170166347 /nfs/dbraw/zinc/16/63/47/170166347.db2.gz TYFMONSJHSLCIY-UHFFFAOYSA-N 1 0 280.371 3.535 40 0 CHABRO CC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1 ZINC000006326216 170191345 /nfs/dbraw/zinc/19/13/45/170191345.db2.gz FASSSMGFACQTKT-UHFFFAOYSA-N 1 0 285.387 3.774 40 0 CHABRO Cc1ccc(C(=O)O[C@@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC000006522473 170209302 /nfs/dbraw/zinc/20/93/02/170209302.db2.gz KYIJYDFEPPKQOH-SFHVURJKSA-N 1 0 297.398 3.845 40 0 CHABRO Cn1c2ccccc2nc1C[N@H+](C)CC1CCCCC1 ZINC000006677905 170225394 /nfs/dbraw/zinc/22/53/94/170225394.db2.gz HZCHJZIOHZOQNK-UHFFFAOYSA-N 1 0 271.408 3.585 40 0 CHABRO COc1ccc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000007521866 170288245 /nfs/dbraw/zinc/28/82/45/170288245.db2.gz LZTRJUNLGKVHCV-UHFFFAOYSA-N 1 0 277.408 3.906 40 0 CHABRO C[n+]1ccc(/C=C/c2c[nH]c3ccc(Cl)cc23)cc1 ZINC000009135236 170364200 /nfs/dbraw/zinc/36/42/00/170364200.db2.gz LMYZTPWMARBTEM-UHFFFAOYSA-O 1 0 269.755 3.816 40 0 CHABRO C[C@H](c1cccc(OCc2ccccc2)c1)[NH+](C)C ZINC000022051338 171350778 /nfs/dbraw/zinc/35/07/78/171350778.db2.gz KSGZYOKUQUKFBY-CQSZACIVSA-N 1 0 255.361 3.888 40 0 in-vitro CHABRO CC[C@@H](C)[NH2+]Cc1ccc(OCC(C)C)c(OC)c1 ZINC000032114238 171707998 /nfs/dbraw/zinc/70/79/98/171707998.db2.gz LTFQRZYFUWUXRO-CYBMUJFWSA-N 1 0 265.397 3.618 40 0 CHABRO Cc1ccc2oc([C@H]3CC[N@@H+](CC(C)C)C3)nc2c1 ZINC000035446495 172202645 /nfs/dbraw/zinc/20/26/45/172202645.db2.gz MWHROXCUEMHIAV-ZDUSSCGKSA-N 1 0 258.365 3.582 40 0 biogenic,in-vitro CHABRO CN(C)[C@@H](c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000039934033 174175955 /nfs/dbraw/zinc/17/59/55/174175955.db2.gz MYLJZKKJRGGLPH-ROUUACIJSA-N 1 0 268.404 3.592 40 0 CHABRO CC[N@H+](Cc1cc(Br)cs1)C(C)C ZINC000043687001 175094592 /nfs/dbraw/zinc/09/45/92/175094592.db2.gz ZUZMOYGVAPHYRT-UHFFFAOYSA-N 1 0 262.216 3.741 40 0 CHABRO CCCC[NH+](CCCC)Cc1ccc(-n2cnnc2)cc1 ZINC000057327802 175592201 /nfs/dbraw/zinc/59/22/01/175592201.db2.gz LYZIPPRYXBESMV-UHFFFAOYSA-N 1 0 286.423 3.670 40 0 CHABRO c1ccc(C(OC[C@@H]2CCCC[NH2+]2)c2ccccc2)cc1 ZINC000071256391 176095430 /nfs/dbraw/zinc/09/54/30/176095430.db2.gz ADYVVJDGFHEUSH-SFHVURJKSA-N 1 0 281.399 3.935 40 0 CHABRO FC(F)(F)c1ccc(-c2c[nH]nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000072379967 176387332 /nfs/dbraw/zinc/38/73/32/176387332.db2.gz JVMCJODKCQOQOG-NSHDSACASA-N 1 0 295.308 3.563 40 0 CHABRO CC[C@H]1C[NH2+]Cc2cc3cccc(C(C)C)c3nc2O1 ZINC000072392286 176394295 /nfs/dbraw/zinc/39/42/95/176394295.db2.gz WGHLVBCHXHMVNK-AWEZNQCLSA-N 1 0 270.376 3.619 40 0 CHABRO CCCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007261711 261378323 /nfs/dbraw/zinc/37/83/23/261378323.db2.gz PVEDOYLQROKOGD-UHFFFAOYSA-N 1 0 287.359 3.623 40 0 CHABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCCCC2)C1 ZINC000076330407 326923103 /nfs/dbraw/zinc/92/31/03/326923103.db2.gz PECOMPUWVKAXGD-CQSZACIVSA-N 1 0 296.455 3.556 40 0 CHABRO c1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]C[C@H]2CCOC2)cc1 ZINC000257207201 327122556 /nfs/dbraw/zinc/12/25/56/327122556.db2.gz BGTSCRBVFFYYHM-DBDQLMEASA-N 1 0 285.431 3.585 40 0 CHABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCOc1ccc(C=O)cc1 ZINC000217793736 533736400 /nfs/dbraw/zinc/73/64/00/533736400.db2.gz BIRFBPSQXSDJJD-HZPDHXFCSA-N 1 0 289.419 3.921 40 0 CHABRO CCOC(=O)C[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000072210302 567917422 /nfs/dbraw/zinc/91/74/22/567917422.db2.gz DUCXPIVTPBAUBK-AWEZNQCLSA-N 1 0 283.799 3.676 40 0 CHABRO C[n+]1cccc([C@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@@H]32)c1 ZINC000001321760 566975526 /nfs/dbraw/zinc/97/55/26/566975526.db2.gz RSUINDYISXUKNH-CADBVGFASA-N 1 0 284.423 3.868 40 0 CHABRO CCOP(=O)(OCC)C(F)(F)[C@H]([NH3+])c1ccccc1 ZINC000095637881 567090199 /nfs/dbraw/zinc/09/01/99/567090199.db2.gz VOMXDASMZHCKAZ-LLVKDONJSA-N 1 0 293.250 3.545 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N[C@H](C)CC ZINC000108368496 567103506 /nfs/dbraw/zinc/10/35/06/567103506.db2.gz NORPIJXUDNAOFT-HIFRSBDPSA-N 1 0 261.413 3.839 40 0 CHABRO CCC[C@@H]([NH2+]Cc1cnc(SC)nc1)c1ccccc1 ZINC000062717243 567109345 /nfs/dbraw/zinc/10/93/45/567109345.db2.gz CWMSLHSKHGNKAM-OAHLLOKOSA-N 1 0 287.432 3.830 40 0 CHABRO [NH3+][C@H]1C[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000070453058 567119169 /nfs/dbraw/zinc/11/91/69/567119169.db2.gz GWTLKBGRQVGFTJ-QWRGUYRKSA-N 1 0 267.250 3.780 40 0 CHABRO C[N@H+]1[C@H]2C=C(c3ccc(C(F)(F)F)cc3)C[C@@H]1CC2 ZINC000000007658 567816469 /nfs/dbraw/zinc/81/64/69/567816469.db2.gz DFCVUTKHIIFWKJ-KGLIPLIRSA-N 1 0 267.294 3.955 40 0 CHABRO CCO[C@@](C)(c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000001568032 567838107 /nfs/dbraw/zinc/83/81/07/567838107.db2.gz PNUYOXJICDSTHX-HNNXBMFYSA-N 1 0 267.800 3.591 40 0 CHABRO CCCC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001664843 567840251 /nfs/dbraw/zinc/84/02/51/567840251.db2.gz WPONIRRKFDYIEL-MSOLQXFVSA-N 1 0 269.388 3.851 40 0 CHABRO O[C@H](c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001668859 567840613 /nfs/dbraw/zinc/84/06/13/567840613.db2.gz ZJQDTSJAQWHKJT-VQTJNVASSA-N 1 0 295.426 3.990 40 0 CHABRO Cc1cc(C)c2c(c1)CC(C)(C)C[C@]2(O)[C@@H]1CCCC[NH2+]1 ZINC000001668789 567840742 /nfs/dbraw/zinc/84/07/42/567840742.db2.gz GLZCSJATWRPEOC-LPHOPBHVSA-N 1 0 287.447 3.606 40 0 CHABRO CC[NH+](CC)C[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001671247 567840957 /nfs/dbraw/zinc/84/09/57/567840957.db2.gz AJVAWAZHINELBV-RTBURBONSA-N 1 0 283.415 3.846 40 0 CHABRO CC[NH+](CC)C[C@](CC)(c1ccccc1)C1(O)CCCC1 ZINC000001670723 567841087 /nfs/dbraw/zinc/84/10/87/567841087.db2.gz CTRJMWKCAXNZAW-GOSISDBHSA-N 1 0 289.463 3.981 40 0 CHABRO C[NH+](C)CCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000001678375 567841243 /nfs/dbraw/zinc/84/12/43/567841243.db2.gz QIYMBRBOACGJMB-UHFFFAOYSA-N 1 0 289.806 3.871 40 0 CHABRO C[n+]1ccc(Nc2ccc(O)cc2)c2ccc(Cl)cc21 ZINC000001695616 567841713 /nfs/dbraw/zinc/84/17/13/567841713.db2.gz IPYDEOKUKGINPO-UHFFFAOYSA-O 1 0 285.754 3.767 40 0 CHABRO c1ccc(C[C@@H]2CCC[C@@H](Cc3ccccc3)[NH2+]2)cc1 ZINC000001747056 567843169 /nfs/dbraw/zinc/84/31/69/567843169.db2.gz VFXVLYPQEFIYDB-OALUTQOASA-N 1 0 265.400 3.983 40 0 CHABRO C[C@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000035093063 567843963 /nfs/dbraw/zinc/84/39/63/567843963.db2.gz ZLYUPXNPZUWJIQ-XHSDSOJGSA-N 1 0 297.483 3.596 40 0 CHABRO C[NH+](C)C(C)(C)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000004416395 567857442 /nfs/dbraw/zinc/85/74/42/567857442.db2.gz DTIKEEZPIDWSHF-IOASZLSFSA-N 1 0 253.430 3.558 40 0 CHABRO CCCCN(C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000408732815 567860869 /nfs/dbraw/zinc/86/08/69/567860869.db2.gz ZPMQESNNSUUNBC-INIZCTEOSA-N 1 0 260.425 3.635 40 0 CHABRO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012284623 567862633 /nfs/dbraw/zinc/86/26/33/567862633.db2.gz COBHCYTXHPGGSR-QGZVFWFLSA-N 1 0 294.398 3.537 40 0 CHABRO Cn1c(C=CC=Cc2ccccc2)[o+]c2ccccc21 ZINC000017157664 567874784 /nfs/dbraw/zinc/87/47/84/567874784.db2.gz DRZBHELREJXBBS-ZCVSKNPDSA-N 1 0 262.332 3.984 40 0 CHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC2CCCCC2)on1 ZINC000019120506 567877136 /nfs/dbraw/zinc/87/71/36/567877136.db2.gz RLMQEBMRGCVOEQ-DOTOQJQBSA-N 1 0 276.424 3.864 40 0 CHABRO CCCC[NH2+]Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000032123262 567885898 /nfs/dbraw/zinc/88/58/98/567885898.db2.gz WMMGJHUXFACVOP-UHFFFAOYSA-N 1 0 277.408 3.906 40 0 CHABRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1Br ZINC000042205988 567891213 /nfs/dbraw/zinc/89/12/13/567891213.db2.gz BOXLAPJBPBVZFU-LLVKDONJSA-N 1 0 268.198 3.824 40 0 CHABRO CC(C)CC[N@@H+]1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@H]1C ZINC000000086267 567905464 /nfs/dbraw/zinc/90/54/64/567905464.db2.gz NRNKPUIJZXENIG-JFIYKMOQSA-N 1 0 275.436 3.651 40 0 CHABRO Clc1ccc([C@H]2CCC[NH2+]2)c(Br)c1 ZINC000084623586 567906213 /nfs/dbraw/zinc/90/62/13/567906213.db2.gz LMURJLTUTXGEFZ-SNVBAGLBSA-N 1 0 260.562 3.527 40 0 CHABRO CC(C)(C)[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC1 ZINC000072210206 567917527 /nfs/dbraw/zinc/91/75/27/567917527.db2.gz ZBUIOMZLVRDWLL-INIZCTEOSA-N 1 0 256.393 3.877 40 0 CHABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccccn2)cc1 ZINC000072210993 567917692 /nfs/dbraw/zinc/91/76/92/567917692.db2.gz ZGNGBBMEYSSAIL-KRWDZBQOSA-N 1 0 252.361 3.809 40 0 CHABRO CCOc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072211802 567917823 /nfs/dbraw/zinc/91/78/23/567917823.db2.gz IBZRYTVPMNLIRI-OAHLLOKOSA-N 1 0 262.397 3.663 40 0 CHABRO CN(C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212623 567918385 /nfs/dbraw/zinc/91/83/85/567918385.db2.gz GETLSQLLUGEROE-GOSISDBHSA-N 1 0 295.430 3.875 40 0 CHABRO CCCNc1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072213138 567918388 /nfs/dbraw/zinc/91/83/88/567918388.db2.gz DLTCATKIGLNMNP-OAHLLOKOSA-N 1 0 261.413 3.696 40 0 CHABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213768 567918745 /nfs/dbraw/zinc/91/87/45/567918745.db2.gz WBMAGXOKSLEVFQ-SFHVURJKSA-N 1 0 293.414 3.993 40 0 CHABRO CCCCNc1ccc([C@@H]2CCC[N@@H+]2CCC)cn1 ZINC000072213659 567919081 /nfs/dbraw/zinc/91/90/81/567919081.db2.gz UAKJSCXNTOCCEC-HNNXBMFYSA-N 1 0 261.413 3.841 40 0 CHABRO CCCCNc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072213597 567919124 /nfs/dbraw/zinc/91/91/24/567919124.db2.gz QUBWBFPNQFCHPG-HNNXBMFYSA-N 1 0 261.413 3.839 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072216001 567920140 /nfs/dbraw/zinc/92/01/40/567920140.db2.gz BMQFPJHURSMONU-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072216004 567920422 /nfs/dbraw/zinc/92/04/22/567920422.db2.gz SGBPCIWUUUYJDB-QGZVFWFLSA-N 1 0 287.451 3.865 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217587 567920525 /nfs/dbraw/zinc/92/05/25/567920525.db2.gz CFFJOFAQCMJIDR-HNNXBMFYSA-N 1 0 270.401 4.000 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc[nH]c1=S ZINC000072217086 567921319 /nfs/dbraw/zinc/92/13/19/567921319.db2.gz KHYHNSPPXWBHPO-ZDUSSCGKSA-N 1 0 250.411 3.697 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219151 567921551 /nfs/dbraw/zinc/92/15/51/567921551.db2.gz DQUPOMYJQNNXPT-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc(N2CCCC2)ncc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072218859 567921708 /nfs/dbraw/zinc/92/17/08/567921708.db2.gz IGWTYMXQMZRNKD-INIZCTEOSA-N 1 0 273.424 3.536 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219161 567921780 /nfs/dbraw/zinc/92/17/80/567921780.db2.gz IMVGAVSCQWYUAC-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218921 567921914 /nfs/dbraw/zinc/92/19/14/567921914.db2.gz QSWQUQAZBFDLSP-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO [NH3+][C@H](c1ccccc1)c1ccc(Nc2ccccc2)nc1 ZINC000072225311 567922051 /nfs/dbraw/zinc/92/20/51/567922051.db2.gz OVHTVYYKRMZLTA-GOSISDBHSA-N 1 0 275.355 3.873 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cc(OC)ccc1OC ZINC000072221883 567922143 /nfs/dbraw/zinc/92/21/43/567922143.db2.gz NRXFBSZHTWEPNJ-OAHLLOKOSA-N 1 0 263.381 3.641 40 0 CHABRO CC[C@@H]([NH3+])c1ccc(Sc2ccccc2)nc1C ZINC000072224232 567922511 /nfs/dbraw/zinc/92/25/11/567922511.db2.gz DWVILWVTNZUHFO-CQSZACIVSA-N 1 0 258.390 3.951 40 0 CHABRO CC/C(=C/c1sc2ccc(C)cc2[n+]1CCO)SC ZINC000000343723 567929478 /nfs/dbraw/zinc/92/94/78/567929478.db2.gz XQFYHBLUNIAIHO-BENRWUELSA-N 1 0 294.465 3.603 40 0 CHABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453167 567930809 /nfs/dbraw/zinc/93/08/09/567930809.db2.gz HSFKHCXRMWCJII-RKDXNWHRSA-N 1 0 263.690 3.682 40 0 CHABRO C[NH2+]C[C@H]1C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453169 567930814 /nfs/dbraw/zinc/93/08/14/567930814.db2.gz HSFKHCXRMWCJII-BDAKNGLRSA-N 1 0 263.690 3.682 40 0 CHABRO CCCCOc1ccc(C(=O)CC[NH+](CC)CC)cc1 ZINC000003068311 567932192 /nfs/dbraw/zinc/93/21/92/567932192.db2.gz LPKOSRPOBBYLTA-UHFFFAOYSA-N 1 0 277.408 3.780 40 0 CHABRO O[C@H](C[NH2+]Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000016477360 567944333 /nfs/dbraw/zinc/94/43/33/567944333.db2.gz QNNLFCLLLIGVJI-OAHLLOKOSA-N 1 0 296.197 3.817 40 0 CHABRO O=Cc1ccc(OCCCC[NH+]2CCCCCC2)cc1 ZINC000206991575 567946509 /nfs/dbraw/zinc/94/65/09/567946509.db2.gz DCDPKUVLGQPWGB-UHFFFAOYSA-N 1 0 275.392 3.534 40 0 CHABRO CCC[NH2+]Cc1cccn1-c1cc(Cl)ccc1C ZINC000223686777 567950230 /nfs/dbraw/zinc/95/02/30/567950230.db2.gz POUDGAJYYUVKDY-UHFFFAOYSA-N 1 0 262.784 3.939 40 0 CHABRO CC(C)C[NH2+]Cc1ccn([C@H](C)c2ccccc2)c1 ZINC000223694865 567950407 /nfs/dbraw/zinc/95/04/07/567950407.db2.gz QEEPJCZOPWDEMT-OAHLLOKOSA-N 1 0 256.393 3.843 40 0 CHABRO CC[C@H](C)Oc1ccc2c(c1)c(C[NH2+]C)c(C)n2CC ZINC000223760521 567950803 /nfs/dbraw/zinc/95/08/03/567950803.db2.gz HXHPAWKJSIMUTK-LBPRGKRZSA-N 1 0 274.408 3.866 40 0 CHABRO COCCC[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1 ZINC000225166779 567952790 /nfs/dbraw/zinc/95/27/90/567952790.db2.gz CVAHMWZBMVZXDI-AWEZNQCLSA-N 1 0 277.408 3.695 40 0 CHABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H](C)c1cccc(Cl)c1 ZINC000079418690 570235139 /nfs/dbraw/zinc/23/51/39/570235139.db2.gz HOUGXEVCNRRANU-WFASDCNBSA-N 1 0 296.842 3.621 40 0 CHABRO C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219111 570237365 /nfs/dbraw/zinc/23/73/65/570237365.db2.gz PFAQPKYRXXXRNK-LSDHHAIUSA-N 1 0 291.435 3.575 40 0 CHABRO c1ccc(CN2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000068605323 570304216 /nfs/dbraw/zinc/30/42/16/570304216.db2.gz IGIUIKGIKDZXLT-UHFFFAOYSA-N 1 0 262.356 3.726 40 0 CHABRO c1nc2ccccc2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000033607704 570316086 /nfs/dbraw/zinc/31/60/86/570316086.db2.gz KYMRBSIZQUQJLF-UHFFFAOYSA-N 1 0 291.398 3.873 40 0 CHABRO C[N@@H+]1CCC[C@H]1Cc1c[nH]c2ccc(Br)cc12 ZINC000000016286 570319106 /nfs/dbraw/zinc/31/91/06/570319106.db2.gz JCXOJXALBTZEFE-LBPRGKRZSA-N 1 0 293.208 3.567 40 0 CHABRO CCCCn1c2ccc(Cl)cc2nc1[C@@H](C)[NH3+] ZINC000064874476 570392938 /nfs/dbraw/zinc/39/29/38/570392938.db2.gz IHQLKRTWNIYTSQ-SECBINFHSA-N 1 0 251.761 3.510 40 0 CHABRO COc1cccc(Nc2cc(C)[nH+]c3ccccc23)c1 ZINC000000256324 1128087165 /nfs/dbraw/zinc/08/71/65/1128087165.db2.gz LFTMKYWQWYEXEN-UHFFFAOYSA-N 1 0 264.328 3.717 40 0 CHABRO CC[NH+](CC)CCOc1ccccc1Cc1ccccc1 ZINC000000001407 1118275443 /nfs/dbraw/zinc/27/54/43/1118275443.db2.gz BPXIOWINQPQVOY-UHFFFAOYSA-N 1 0 283.415 3.998 40 0 in-man CHABRO CC(C)(C)OC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000060881665 1125264139 /nfs/dbraw/zinc/26/41/39/1125264139.db2.gz BBWXIYAIJMVPSG-UHFFFAOYSA-N 1 0 296.455 3.556 40 0 CHABRO COc1cc(OC2CCC(C)(C)CC2)c(F)cc1C[NH3+] ZINC000095802918 185028072 /nfs/dbraw/zinc/02/80/72/185028072.db2.gz BKIQGJQEBQFKFM-UHFFFAOYSA-N 1 0 281.371 3.641 40 0 CHABRO Cc1nn(C2CCCC2)cc1C[NH2+]Cc1ccccc1 ZINC000256052921 190004418 /nfs/dbraw/zinc/00/44/18/190004418.db2.gz PEJOYPVMOIFRFR-UHFFFAOYSA-N 1 0 269.392 3.596 40 0 CHABRO CCCn1cc(C[NH2+]Cc2ccc(F)s2)c(C2CC2)n1 ZINC000256054498 190005635 /nfs/dbraw/zinc/00/56/35/190005635.db2.gz WONCOLDFBBSCEI-UHFFFAOYSA-N 1 0 293.411 3.661 40 0 CHABRO c1cn2cnc([C@@H]3CC[N@@H+](C4CCCCC4)C3)c2s1 ZINC000257241829 190018718 /nfs/dbraw/zinc/01/87/18/190018718.db2.gz HZTZCLGJXJJGNA-GFCCVEGCSA-N 1 0 275.421 3.518 40 0 CHABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257303459 190030238 /nfs/dbraw/zinc/03/02/38/190030238.db2.gz SHIKPNBTUMSCHW-CQSZACIVSA-N 1 0 294.402 3.579 40 0 CHABRO COc1cccc(OC)c1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072221440 256706608 /nfs/dbraw/zinc/70/66/08/256706608.db2.gz WULYAXYJAFCRGZ-CQSZACIVSA-N 1 0 277.408 3.887 40 0 CHABRO CC[NH+](CC)C[C@H](O)C1CCC(c2ccccc2)CC1 ZINC000001593755 169720805 /nfs/dbraw/zinc/72/08/05/169720805.db2.gz KCPQCTKXSFRSEY-ABHNRTSZSA-N 1 0 275.436 3.663 40 0 CHABRO C[C@@H]([C@@H](O)c1cc2c(c3ccccc31)CCCC2)[NH+](C)C ZINC000001706356 169746152 /nfs/dbraw/zinc/74/61/52/169746152.db2.gz SDPZTOYYDSQEQV-ORAYPTAESA-N 1 0 283.415 3.702 40 0 CHABRO COc1ccc2c(c1)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1CC(C)=C(C)C3 ZINC000005158863 170072226 /nfs/dbraw/zinc/07/22/26/170072226.db2.gz OYGGFLRVKPKVSI-XUVXKRRUSA-N 1 0 297.442 3.940 40 0 CHABRO CC(C)[NH2+]C[C@H](O)CC(c1ccccc1)c1ccccc1 ZINC000005442097 170099537 /nfs/dbraw/zinc/09/95/37/170099537.db2.gz DAIZVBCVNQSHLI-GOSISDBHSA-N 1 0 283.415 3.568 40 0 in-man CHABRO CC[NH+](CC)C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000006382423 170196755 /nfs/dbraw/zinc/19/67/55/170196755.db2.gz FHDDQQUQUTVHET-SFHVURJKSA-N 1 0 269.388 3.729 40 0 CHABRO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC ZINC000007262336 170274455 /nfs/dbraw/zinc/27/44/55/170274455.db2.gz RFJYQSPOMQLONX-UHFFFAOYSA-N 1 0 262.180 3.892 40 0 CHABRO Brc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000007524941 170288734 /nfs/dbraw/zinc/28/87/34/170288734.db2.gz CYFQSVCEBZOKDM-UHFFFAOYSA-N 1 0 292.176 3.961 40 0 CHABRO CC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000008227250 170325824 /nfs/dbraw/zinc/32/58/24/170325824.db2.gz IJLIRVQBPFQJTP-UHFFFAOYSA-N 1 0 285.387 3.692 40 0 CHABRO CC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000008227246 170326078 /nfs/dbraw/zinc/32/60/78/170326078.db2.gz WLUBHSXAPYCBNW-UHFFFAOYSA-N 1 0 285.387 3.692 40 0 CHABRO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(C)cc1 ZINC000008550126 170339451 /nfs/dbraw/zinc/33/94/51/170339451.db2.gz KXYOMHYJIMULCK-UHFFFAOYSA-N 1 0 297.398 3.835 40 0 CHABRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000008880136 170358159 /nfs/dbraw/zinc/35/81/59/170358159.db2.gz XOXDIBPAIANJHB-ZDUSSCGKSA-N 1 0 297.446 3.767 40 0 CHABRO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000020092448 170991859 /nfs/dbraw/zinc/99/18/59/170991859.db2.gz HZESBAYBKQOVNF-WMLDXEAASA-N 1 0 277.408 3.551 40 0 CHABRO C[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020158551 171039964 /nfs/dbraw/zinc/03/99/64/171039964.db2.gz DMMFHPJPBXAZPV-UHFFFAOYSA-N 1 0 256.132 3.973 40 0 CHABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020594509 171263610 /nfs/dbraw/zinc/26/36/10/171263610.db2.gz DDJQFAXXZPWWOV-MORSLUCNSA-N 1 0 267.372 3.716 40 0 CHABRO C[NH2+][C@@H](Cc1ccccc1)c1ccc(Br)cc1 ZINC000035463036 172211080 /nfs/dbraw/zinc/21/10/80/172211080.db2.gz AAFFPYMHLOUAIZ-HNNXBMFYSA-N 1 0 290.204 3.952 40 0 CHABRO Clc1ccc(Cc2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072343736 176372225 /nfs/dbraw/zinc/37/22/25/176372225.db2.gz JVQGUQUSJLGCGB-AWEZNQCLSA-N 1 0 286.806 3.793 40 0 CHABRO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072354411 176374843 /nfs/dbraw/zinc/37/48/43/176374843.db2.gz JPDZGSPFHKYVSM-MRXNPFEDSA-N 1 0 284.378 3.587 40 0 CHABRO Clc1ccc(Cc2cccc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000072356431 176375599 /nfs/dbraw/zinc/37/55/99/176375599.db2.gz RSZGJWGZTQCTGB-OAHLLOKOSA-N 1 0 272.779 3.750 40 0 CHABRO CC(C)[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359296 176377113 /nfs/dbraw/zinc/37/71/13/176377113.db2.gz ZMKGJLOTGSMCRX-UHFFFAOYSA-N 1 0 299.393 3.871 40 0 CHABRO Cc1sc2c([C@@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2c1C ZINC000072367725 176382615 /nfs/dbraw/zinc/38/26/15/176382615.db2.gz LWUDJBFLPAXBCU-CQSZACIVSA-N 1 0 291.464 3.909 40 0 CHABRO Cc1ccccc1-c1ccnc(C2CC[NH2+]CC2)c1 ZINC000072386624 176391966 /nfs/dbraw/zinc/39/19/66/176391966.db2.gz FQMCMDBHIUZIII-UHFFFAOYSA-N 1 0 252.361 3.524 40 0 CHABRO c1ccc(CN[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000066066509 329111802 /nfs/dbraw/zinc/11/18/02/329111802.db2.gz SJBYIGXWWGSEES-BGYRXZFFSA-N 1 0 294.442 3.877 40 0 CHABRO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[NH3+] ZINC000245229301 334185531 /nfs/dbraw/zinc/18/55/31/334185531.db2.gz SXFQJBRXNODJBV-NVTXSZTESA-N 1 0 289.463 3.637 40 0 CHABRO CC[C@@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072213393 567919025 /nfs/dbraw/zinc/91/90/25/567919025.db2.gz KLGIBIMDMHAGNL-UKRRQHHQSA-N 1 0 261.413 3.837 40 0 CHABRO COc1cc(C)c([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072218038 567919475 /nfs/dbraw/zinc/91/94/75/567919475.db2.gz RQRUZLNFZAGSEI-HNNXBMFYSA-N 1 0 262.397 3.582 40 0 CHABRO CCCC[C@H](C(=O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000601024743 570274620 /nfs/dbraw/zinc/27/46/20/570274620.db2.gz BCJXLSGKMNRRKO-OAHLLOKOSA-N 1 0 263.356 3.663 40 0 in-vitro CHABRO c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000049168848 560084792 /nfs/dbraw/zinc/08/47/92/560084792.db2.gz MRVXUAMZAXSKSU-HNNXBMFYSA-N 1 0 278.355 3.817 40 0 biogenic,in-vitro CHABRO C[C@H]1CCCN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)C1 ZINC000019806667 566880256 /nfs/dbraw/zinc/88/02/56/566880256.db2.gz GKTKLFLXYDSQAX-GWCFXTLKSA-N 1 0 287.234 3.725 40 0 CHABRO Clc1ccc(COC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000028521934 566945938 /nfs/dbraw/zinc/94/59/38/566945938.db2.gz DPPWDCSDDCSVPZ-NSHDSACASA-N 1 0 274.191 3.652 40 0 CHABRO C[C@@H](C[NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000062718675 567109111 /nfs/dbraw/zinc/10/91/11/567109111.db2.gz QZZUCSHMYZKKSU-HNNXBMFYSA-N 1 0 293.414 3.889 40 0 CHABRO COc1ccc2c(Nc3cccc(N)c3)cc[nH+]c2c1 ZINC000064875384 567111139 /nfs/dbraw/zinc/11/11/39/567111139.db2.gz UDOMDSVSDHXXBF-UHFFFAOYSA-N 1 0 265.316 3.569 40 0 CHABRO CCCCC[C@H](C(=O)c1ccccc1)[NH+]1CCCC1 ZINC000096024583 567136332 /nfs/dbraw/zinc/13/63/32/567136332.db2.gz DLRWKNLMJAIFQB-MRXNPFEDSA-N 1 0 259.393 3.914 40 0 in-vitro CHABRO CC(C)=CC[N@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C ZINC000000000596 567816464 /nfs/dbraw/zinc/81/64/64/567816464.db2.gz VOKSWYLNZZRQPF-GDIGMMSISA-N 1 0 285.431 3.883 40 0 fda CHABRO Cc1ccc(C(=O)CC[NH+]2CC3CCC(CC3)C2)c(C)c1 ZINC000001615784 567839452 /nfs/dbraw/zinc/83/94/52/567839452.db2.gz AJAIRWSDVSLRSN-UHFFFAOYSA-N 1 0 285.431 3.998 40 0 CHABRO c1ccc(CN(CC[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000001602367 567839512 /nfs/dbraw/zinc/83/95/12/567839512.db2.gz AEFHEVVEKKHJHN-UHFFFAOYSA-N 1 0 295.430 3.574 40 0 CHABRO O[C@H](c1ccccc1)[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000001668056 567840835 /nfs/dbraw/zinc/84/08/35/567840835.db2.gz HUGKXSARDXPQDU-VQTJNVASSA-N 1 0 295.426 3.817 40 0 CHABRO CC[NH+](CC)CCO[C@H]1CCCC[C@H]1Cc1ccccn1 ZINC000001675099 567841085 /nfs/dbraw/zinc/84/10/85/567841085.db2.gz FZAOVOGLQIIWGX-WMZOPIPTSA-N 1 0 290.451 3.541 40 0 CHABRO CC[NH+](CC)CCOC(=O)C1(CC(C)C)CCCCC1 ZINC000001719279 567842411 /nfs/dbraw/zinc/84/24/11/567842411.db2.gz KWZXRLYIJVZVLX-UHFFFAOYSA-N 1 0 283.456 3.868 40 0 CHABRO CC[C@@H]1[C@@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004119590 567855544 /nfs/dbraw/zinc/85/55/44/567855544.db2.gz OKNRTYWYWMOJGO-AKHDSKFASA-N 1 0 281.399 3.849 40 0 CHABRO Fc1ccc(C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000012113954 567862326 /nfs/dbraw/zinc/86/23/26/567862326.db2.gz XURLKIVSAQCQLY-UHFFFAOYSA-N 1 0 270.351 3.600 40 0 CHABRO COc1ccc(-c2cc([C@H]3CCCCC[NH2+]3)no2)cc1 ZINC000012185175 567862422 /nfs/dbraw/zinc/86/24/22/567862422.db2.gz SNDXHBVPZYXADZ-CQSZACIVSA-N 1 0 272.348 3.555 40 0 CHABRO C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)C1 ZINC000019496568 567877842 /nfs/dbraw/zinc/87/78/42/567877842.db2.gz VDPLXOGYOJQZNK-CZUORRHYSA-N 1 0 299.418 3.646 40 0 CHABRO ClC(Cl)(Cl)[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000023583904 567881868 /nfs/dbraw/zinc/88/18/68/567881868.db2.gz DPPAKKMPHBZNQA-LLVKDONJSA-N 1 0 289.593 3.725 40 0 in-vitro CHABRO C[NH+](C)Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000034091027 567886828 /nfs/dbraw/zinc/88/68/28/567886828.db2.gz RRKLFSJBPYZCJV-UHFFFAOYSA-N 1 0 280.371 3.809 40 0 in-vitro CHABRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1Br ZINC000042205991 567891252 /nfs/dbraw/zinc/89/12/52/567891252.db2.gz BOXLAPJBPBVZFU-NSHDSACASA-N 1 0 268.198 3.824 40 0 CHABRO CC[C@H]([NH3+])c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC000096509789 567897451 /nfs/dbraw/zinc/89/74/51/567897451.db2.gz ASFMTXUFPSDTNE-LBPRGKRZSA-N 1 0 274.364 3.834 40 0 CHABRO COc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1C[NH3+] ZINC000089263420 567907379 /nfs/dbraw/zinc/90/73/79/567907379.db2.gz IVEJJAKDZKCMBX-UHFFFAOYSA-N 1 0 296.292 3.543 40 0 CHABRO [NH3+]Cc1cnc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000089261631 567907512 /nfs/dbraw/zinc/90/75/12/567907512.db2.gz XYRJYQFJZQIRLC-UHFFFAOYSA-N 1 0 286.684 3.880 40 0 CHABRO C([C@@H]1CO[C@@]2(CC[C@H]3CCCC[C@@H]3C2)O1)[NH+]1CCCCC1 ZINC000101120272 567914649 /nfs/dbraw/zinc/91/46/49/567914649.db2.gz XBGMCAWJVPHBRD-TVFCKZIOSA-N 1 0 293.451 3.574 40 0 CHABRO CCOc1ccc(/[NH+]=c2/ccn3ccccc3c2)cc1 ZINC000104209201 567916409 /nfs/dbraw/zinc/91/64/09/567916409.db2.gz OPFQXKLFMQIVPQ-SDXDJHTJSA-N 1 0 264.328 3.570 40 0 CHABRO [NH3+]C1(c2ccc3c(Br)cccc3c2)CC1 ZINC000258407214 567917173 /nfs/dbraw/zinc/91/71/73/567917173.db2.gz FNNRVDXMXXLEDN-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO [NH3+]C1(c2ccc3cccc(Br)c3c2)CC1 ZINC000258487618 567917310 /nfs/dbraw/zinc/91/73/10/567917310.db2.gz KCJXFRIRKXCTHT-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO c1[nH]c2ccccc2c1[C@@H]1CCCC[C@@H]1[NH2+]C1CC1 ZINC000072210197 567917433 /nfs/dbraw/zinc/91/74/33/567917433.db2.gz PANGFHOBYNCCJF-YOEHRIQHSA-N 1 0 254.377 3.946 40 0 CHABRO CCOc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211828 567917637 /nfs/dbraw/zinc/91/76/37/567917637.db2.gz SMRHPFVMGLYGHO-KRWDZBQOSA-N 1 0 282.387 3.817 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1NCCC ZINC000072213139 567918264 /nfs/dbraw/zinc/91/82/64/567918264.db2.gz QMZAOKKRICTAQZ-OAHLLOKOSA-N 1 0 261.413 3.841 40 0 CHABRO CCNc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213064 567918341 /nfs/dbraw/zinc/91/83/41/567918341.db2.gz WGKHQEBYJKKLFC-QGZVFWFLSA-N 1 0 281.403 3.851 40 0 CHABRO CC(C)CNc1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072213257 567918377 /nfs/dbraw/zinc/91/83/77/567918377.db2.gz LCZCELLFRAPVLK-INIZCTEOSA-N 1 0 275.440 3.942 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213950 567918968 /nfs/dbraw/zinc/91/89/68/567918968.db2.gz QEGUSAHYFCDTME-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214333 567919737 /nfs/dbraw/zinc/91/97/37/567919737.db2.gz XAXNSOLNWQQLST-CYBMUJFWSA-N 1 0 291.395 3.585 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217646 567920399 /nfs/dbraw/zinc/92/03/99/567920399.db2.gz VVNMLPSOUFGIAW-OAHLLOKOSA-N 1 0 270.401 4.000 40 0 CHABRO CNc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)c(C)n1 ZINC000072219123 567921712 /nfs/dbraw/zinc/92/17/12/567921712.db2.gz ZYHWPTSKSAAZQI-OAHLLOKOSA-N 1 0 261.413 3.615 40 0 CHABRO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072219279 567921766 /nfs/dbraw/zinc/92/17/66/567921766.db2.gz PUKHKJFUFFNVJN-KRWDZBQOSA-N 1 0 287.451 3.926 40 0 CHABRO CN(c1ccccc1)c1ccc([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072225333 567922019 /nfs/dbraw/zinc/92/20/19/567922019.db2.gz ILUBAKYXMAHTMH-IBGZPJMESA-N 1 0 289.382 3.898 40 0 CHABRO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]1C[C@H]2CCCC[C@H]2[C@@H]31 ZINC000004026529 567932420 /nfs/dbraw/zinc/93/24/20/567932420.db2.gz HKCFIODYAGNXJQ-TVZGQMOCSA-N 1 0 296.414 3.896 40 0 CHABRO CCCC[NH+](CCCC)C[C@](C)(O)c1ccccc1 ZINC000001682346 567937458 /nfs/dbraw/zinc/93/74/58/567937458.db2.gz ZTEXDCBRMUKYRD-KRWDZBQOSA-N 1 0 263.425 3.796 40 0 CHABRO COc1cc2c(cc1OCc1ccccc1)[C@H](C)[N@H+](C)CC2 ZINC000003847232 567938045 /nfs/dbraw/zinc/93/80/45/567938045.db2.gz MNDZGPSZJCVZEO-AWEZNQCLSA-N 1 0 297.398 3.823 40 0 CHABRO CCCC[NH2+][C@@H](CC)c1cc(OC)ccc1OC ZINC000222635857 567948963 /nfs/dbraw/zinc/94/89/63/567948963.db2.gz PXPMVKUFUAJCKZ-AWEZNQCLSA-N 1 0 251.370 3.545 40 0 CHABRO Cc1cc(C[NH2+]CC(C)C)c(C)n1Cc1ccccc1 ZINC000223661646 567950225 /nfs/dbraw/zinc/95/02/25/567950225.db2.gz NCSHMYHEVWFCFO-UHFFFAOYSA-N 1 0 270.420 3.899 40 0 CHABRO Cc1ccc(-n2cccc2C[NH2+]CC(C)C)c(C)c1 ZINC000223681052 567950341 /nfs/dbraw/zinc/95/03/41/567950341.db2.gz CNHMVJZTBJXKHH-UHFFFAOYSA-N 1 0 256.393 3.840 40 0 CHABRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(OC2CCCC2)cc1 ZINC000225170384 567952609 /nfs/dbraw/zinc/95/26/09/567952609.db2.gz GYUQTINHPPYZEQ-KDOFPFPSSA-N 1 0 289.419 3.838 40 0 CHABRO C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(OC2CCCC2)c1 ZINC000225167593 567952774 /nfs/dbraw/zinc/95/27/74/567952774.db2.gz LRNVTYKREVBMEX-KBXCAEBGSA-N 1 0 289.419 3.838 40 0 CHABRO CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000225170229 567952812 /nfs/dbraw/zinc/95/28/12/567952812.db2.gz SOKGFMQEYUVEBR-PBHICJAKSA-N 1 0 277.408 3.695 40 0 CHABRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(OC2CCCC2)cc1 ZINC000225170489 567952833 /nfs/dbraw/zinc/95/28/33/567952833.db2.gz GYUQTINHPPYZEQ-KBXCAEBGSA-N 1 0 289.419 3.838 40 0 CHABRO Cc1ccc(-n2cccc2C[NH+]2CCCCC2)cc1 ZINC000225309493 567953111 /nfs/dbraw/zinc/95/31/11/567953111.db2.gz ATEHKEUPRGMGCE-UHFFFAOYSA-N 1 0 254.377 3.772 40 0 CHABRO CCn1c(C[NH2+]Cc2ccccc2)ccc1Cc1ccco1 ZINC000226021656 567955350 /nfs/dbraw/zinc/95/53/50/567955350.db2.gz IDVIOUCSAXUYLF-UHFFFAOYSA-N 1 0 294.398 3.982 40 0 CHABRO COc1ccc(C[NH2+]Cc2ccc(CC(C)C)n2C)cc1 ZINC000226020248 567955368 /nfs/dbraw/zinc/95/53/68/567955368.db2.gz IGVVCEOAVOGGNX-UHFFFAOYSA-N 1 0 286.419 3.522 40 0 CHABRO CCCc1ccc(C[NH2+]Cc2ccc(OC)cc2)n1CC ZINC000226020985 567955414 /nfs/dbraw/zinc/95/54/14/567955414.db2.gz OYLZUWZVCXAMQV-UHFFFAOYSA-N 1 0 286.419 3.759 40 0 CHABRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219109 570237228 /nfs/dbraw/zinc/23/72/28/570237228.db2.gz PFAQPKYRXXXRNK-HUUCEWRRSA-N 1 0 291.435 3.575 40 0 CHABRO CC(C)C[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000095097455 570285506 /nfs/dbraw/zinc/28/55/06/570285506.db2.gz WWAAXUULUFRROS-UHFFFAOYSA-N 1 0 295.224 3.719 40 0 CHABRO FC(F)(F)c1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000096311683 570289954 /nfs/dbraw/zinc/28/99/54/570289954.db2.gz PMQCGRDAYMZMQH-VGPLMAKISA-N 1 0 255.283 3.703 40 0 CHABRO CCCC1CC(C[NH3+])(c2ccc(Br)cc2)C1 ZINC000083175899 570357577 /nfs/dbraw/zinc/35/75/77/570357577.db2.gz COVPMAXAAVUKHD-UHFFFAOYSA-N 1 0 282.225 3.856 40 0 CHABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]CC2CCCC2)CC1 ZINC000238192492 1125566829 /nfs/dbraw/zinc/56/68/29/1125566829.db2.gz WTUFEALJAPPSMK-SHTZXODSSA-N 1 0 296.455 3.602 40 0 CHABRO COc1ccc2ccccc2c1[C@@H](CN)[N@@H+]1CCC[C@H](C)C1 ZINC000108349928 1120154217 /nfs/dbraw/zinc/15/42/17/1120154217.db2.gz IYHLFVKGPZPWHN-WMLDXEAASA-N 1 0 298.430 3.580 40 0 CHABRO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000017009342 1120393369 /nfs/dbraw/zinc/39/33/69/1120393369.db2.gz MOAYJGSEGKYGEV-STQMWFEESA-N 1 0 284.403 3.922 40 0 CHABRO C[C@H]1CCC[C@H](C)[NH+]1CCCCOc1cccc(C=O)c1 ZINC000217795127 230396765 /nfs/dbraw/zinc/39/67/65/230396765.db2.gz DMMOKWRPHDEISO-HOTGVXAUSA-N 1 0 289.419 3.921 40 0 CHABRO CCCCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225162017 189744337 /nfs/dbraw/zinc/74/43/37/189744337.db2.gz HIVCPSLTVHCDSA-CABCVRRESA-N 1 0 277.408 3.695 40 0 CHABRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc(OC2CCCC2)c1 ZINC000225167552 189744925 /nfs/dbraw/zinc/74/49/25/189744925.db2.gz LRNVTYKREVBMEX-RDTXWAMCSA-N 1 0 289.419 3.838 40 0 CHABRO COc1ccc(C[NH2+]Cc2cc(C3CC3)nn2C(C)C)cc1 ZINC000256050286 190002956 /nfs/dbraw/zinc/00/29/56/190002956.db2.gz DMKLTFCPDMZBSL-UHFFFAOYSA-N 1 0 299.418 3.640 40 0 CHABRO Fc1ccc(C[NH2+]Cc2cccc(Cl)c2)s1 ZINC000256052749 190004063 /nfs/dbraw/zinc/00/40/63/190004063.db2.gz OMFDBIYCGHEIFG-UHFFFAOYSA-N 1 0 255.745 3.830 40 0 CHABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2ccsc2)ccn1 ZINC000257253150 190020946 /nfs/dbraw/zinc/02/09/46/190020946.db2.gz JXTUTLFCFLPFEM-CQSZACIVSA-N 1 0 273.405 3.522 40 0 CHABRO CC[NH+](CC)CCSc1nc2ccccc2cc1C ZINC000004929930 184532219 /nfs/dbraw/zinc/53/22/19/184532219.db2.gz NKUYHZQXDPGCAT-UHFFFAOYSA-N 1 0 274.433 3.977 40 0 CHABRO CC[C@H]([NH3+])c1cnc(N(C)c2ccccc2)c(C)c1 ZINC000072222310 256705684 /nfs/dbraw/zinc/70/56/84/256705684.db2.gz ZQFDJRIRGMHVOA-HNNXBMFYSA-N 1 0 255.365 3.568 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219176 256707038 /nfs/dbraw/zinc/70/70/38/256707038.db2.gz GNGLWESGCAOIIN-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO CN(c1ccccc1)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072214211 256711850 /nfs/dbraw/zinc/71/18/50/256711850.db2.gz DHVCRWDBVBCLIM-MRXNPFEDSA-N 1 0 267.376 3.664 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213008 256713562 /nfs/dbraw/zinc/71/35/62/256713562.db2.gz KIWSFQSCLWRYQQ-INIZCTEOSA-N 1 0 275.440 3.862 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213007 256714339 /nfs/dbraw/zinc/71/43/39/256714339.db2.gz KIWSFQSCLWRYQQ-MRXNPFEDSA-N 1 0 275.440 3.862 40 0 CHABRO CC[NH+](CC)CCn1c2ccccc2nc1C(C)(C)C ZINC000001636916 169730349 /nfs/dbraw/zinc/73/03/49/169730349.db2.gz IZJHSKBOIFMRER-UHFFFAOYSA-N 1 0 273.424 3.676 40 0 CHABRO C[NH+](C)CCCN1c2ccccc2CCc2cc(O)ccc21 ZINC000005140429 170070327 /nfs/dbraw/zinc/07/03/27/170070327.db2.gz ROTCPJFWLNDKHU-UHFFFAOYSA-N 1 0 296.414 3.581 40 0 world CHABRO CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000005907270 170153527 /nfs/dbraw/zinc/15/35/27/170153527.db2.gz WITQPGCGTLZPGK-MRVPVSSYSA-N 1 0 262.180 3.890 40 0 CHABRO CC(SCC[NH3+])(c1ccccc1)c1ccccc1 ZINC000006050118 170172247 /nfs/dbraw/zinc/17/22/47/170172247.db2.gz JJJUJZRAJMGOIW-UHFFFAOYSA-N 1 0 257.402 3.642 40 0 CHABRO Cc1ccc([C@H](C[NH+](C)C)C(=O)c2ccccc2)cc1 ZINC000006522720 170209593 /nfs/dbraw/zinc/20/95/93/170209593.db2.gz MTMMTHHYFQNUKN-KRWDZBQOSA-N 1 0 267.372 3.523 40 0 CHABRO CC(C)C[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000006883634 170252695 /nfs/dbraw/zinc/25/26/95/170252695.db2.gz XTQMODWFVCJFIG-ZDUSSCGKSA-N 1 0 273.376 3.746 40 0 CHABRO CCC[NH2+]Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000007262389 170274403 /nfs/dbraw/zinc/27/44/03/170274403.db2.gz GSMLPBHXEVZDGX-UHFFFAOYSA-N 1 0 287.359 3.623 40 0 CHABRO CCOCCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000008253193 170327195 /nfs/dbraw/zinc/32/71/95/170327195.db2.gz HCZBIGLPWDPMBM-UHFFFAOYSA-N 1 0 269.388 3.870 40 0 CHABRO CCOc1c(C[NH2+]C2CCCCC2)cccc1OC ZINC000008253458 170327258 /nfs/dbraw/zinc/32/72/58/170327258.db2.gz QIFNWFRLIZKSDJ-UHFFFAOYSA-N 1 0 263.381 3.516 40 0 CHABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OC ZINC000008254366 170327505 /nfs/dbraw/zinc/32/75/05/170327505.db2.gz KGBUIKSFEHSLDI-AWEZNQCLSA-N 1 0 285.387 3.945 40 0 CHABRO CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC)cc1OC ZINC000008326654 170331341 /nfs/dbraw/zinc/33/13/41/170331341.db2.gz IDUXLJPHAHNYIS-JTQLQIEISA-N 1 0 271.788 3.635 40 0 CHABRO c1cc2c(cccc2C[NH2+]CCc2c[nH]c3ccccc23)[nH]1 ZINC000015423517 170665912 /nfs/dbraw/zinc/66/59/12/170665912.db2.gz JAIAWAOWCKYYLF-UHFFFAOYSA-N 1 0 289.382 3.982 40 0 CHABRO CCCC[NH2+]Cc1cccn1Cc1ccccc1C ZINC000035727299 172380478 /nfs/dbraw/zinc/38/04/78/172380478.db2.gz HJLBFWPALMQRNA-UHFFFAOYSA-N 1 0 256.393 3.735 40 0 CHABRO CC1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2Cl)CC1 ZINC000039142591 174164424 /nfs/dbraw/zinc/16/44/24/174164424.db2.gz QAMHRNGQTWMTMW-AWEZNQCLSA-N 1 0 287.234 3.725 40 0 CHABRO COc1cccc(-c2cccc([C@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072348557 176373712 /nfs/dbraw/zinc/37/37/12/176373712.db2.gz INNQXLRLCGSBCD-HNNXBMFYSA-N 1 0 282.387 3.566 40 0 CHABRO CC(C)[N@@H+]1CCC[C@@H](Cc2cccc(Br)n2)C1 ZINC000072363352 176377460 /nfs/dbraw/zinc/37/74/60/176377460.db2.gz PVZVDGJSUZKDBO-LBPRGKRZSA-N 1 0 297.240 3.507 40 0 CHABRO Cc1cccc(-c2nccnc2C2CC[NH+](C)CC2)c1C ZINC000072365360 176380797 /nfs/dbraw/zinc/38/07/97/176380797.db2.gz CBIAKWLZWOUMOV-UHFFFAOYSA-N 1 0 281.403 3.570 40 0 CHABRO c1cn(-c2cccc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000072378718 176386061 /nfs/dbraw/zinc/38/60/61/176386061.db2.gz YAYSPXXMOLNEMO-KRWDZBQOSA-N 1 0 296.418 3.737 40 0 CHABRO C[NH2+]CCCCOc1ccccc1Cc1ccccc1 ZINC000001542896 260005575 /nfs/dbraw/zinc/00/55/75/260005575.db2.gz QSQQPMHPCBLLGX-UHFFFAOYSA-N 1 0 269.388 3.656 40 0 investigational CHABRO CC[C@H](C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000260571722 327856400 /nfs/dbraw/zinc/85/64/00/327856400.db2.gz BHVLXDWIQYEEEP-GRDNDAEWSA-N 1 0 277.408 3.694 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211616 567917647 /nfs/dbraw/zinc/91/76/47/567917647.db2.gz ZHLXFBDEFRXDAR-GFCCVEGCSA-N 1 0 283.213 3.781 40 0 CHABRO CCCC[C@@H](C(=O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000601024742 570274613 /nfs/dbraw/zinc/27/46/13/570274613.db2.gz BCJXLSGKMNRRKO-HNNXBMFYSA-N 1 0 263.356 3.663 40 0 in-vitro CHABRO CC(C)(C)C[N@@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169349 560084320 /nfs/dbraw/zinc/08/43/20/560084320.db2.gz GYFRJEQWIUECKK-AWEZNQCLSA-N 1 0 285.391 3.572 40 0 biogenic,in-vitro CHABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000049171149 560084369 /nfs/dbraw/zinc/08/43/69/560084369.db2.gz CRTIKDCLFIPRSY-INIZCTEOSA-N 1 0 291.398 3.563 40 0 biogenic,in-vitro CHABRO c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)nc1 ZINC000049168952 560084905 /nfs/dbraw/zinc/08/49/05/560084905.db2.gz MFJWGYFVAFNPDF-ZDUSSCGKSA-N 1 0 295.411 3.681 40 0 biogenic,in-vitro CHABRO CC(C)(C)OC(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC000067801195 566949960 /nfs/dbraw/zinc/94/99/60/566949960.db2.gz KALPCHIUXSWUCQ-UHFFFAOYSA-N 1 0 296.455 3.556 40 0 CHABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)c(Cl)c2)C1 ZINC000020081650 567113182 /nfs/dbraw/zinc/11/31/82/567113182.db2.gz QUIZRRFSKOTIJC-YGRLFVJLSA-N 1 0 287.234 3.725 40 0 CHABRO C[C@H]1CCCC[C@@H]1[NH+]1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019900112 567123203 /nfs/dbraw/zinc/12/32/03/567123203.db2.gz ADQAWJJCVOTDOE-BZSNNMDCSA-N 1 0 276.468 3.539 40 0 CHABRO C[NH+]1CCC(=C2c3ccccc3Oc3ncccc32)CC1 ZINC000000000978 567816423 /nfs/dbraw/zinc/81/64/23/567816423.db2.gz ALIOEEFZPKWPAV-UHFFFAOYSA-N 1 0 278.355 3.715 40 0 in-man CHABRO O[C@H]1c2c(ccc3ccccc32)CC[C@H]1[NH+]1CCCCC1 ZINC000001569697 567838114 /nfs/dbraw/zinc/83/81/14/567838114.db2.gz BYQHQQHJLPNULE-IEBWSBKVSA-N 1 0 281.399 3.674 40 0 CHABRO C[NH2+]CCCC12CC(c3ccccc31)c1ccccc12 ZINC000001570787 567838384 /nfs/dbraw/zinc/83/83/84/567838384.db2.gz GNHHEQNIAAPGJW-UHFFFAOYSA-N 1 0 263.384 3.821 40 0 CHABRO CCCC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 ZINC000001667056 567840656 /nfs/dbraw/zinc/84/06/56/567840656.db2.gz OOKFNBJFELGWFO-MOPGFXCFSA-N 1 0 299.414 3.860 40 0 CHABRO Cc1ccc([C@@H](C[NH+](C)C)C(=O)c2ccccc2)cc1 ZINC000001665769 567840710 /nfs/dbraw/zinc/84/07/10/567840710.db2.gz MTMMTHHYFQNUKN-QGZVFWFLSA-N 1 0 267.372 3.523 40 0 CHABRO CCCCN(CCCC)C(=[NH2+])c1ccc(OC)cc1 ZINC000001733630 567842709 /nfs/dbraw/zinc/84/27/09/567842709.db2.gz WWVHXEKXBBIELY-UHFFFAOYSA-N 1 0 262.397 3.923 40 0 CHABRO CC1=C[C@H](C)[C@@H](C[N@H+]2CCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000002296810 567845643 /nfs/dbraw/zinc/84/56/43/567845643.db2.gz ZINAYKAEPVIUEM-ZJIFWQFVSA-N 1 0 251.414 3.539 40 0 CHABRO Cc1ccc2cc(C[NH2+][C@@H]3CCCC[C@@H]3C)c(=O)[nH]c2c1 ZINC000004130447 567855520 /nfs/dbraw/zinc/85/55/20/567855520.db2.gz FRGXALQPKZYEGR-XJKSGUPXSA-N 1 0 284.403 3.505 40 0 CHABRO c1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019373866 567877856 /nfs/dbraw/zinc/87/78/56/567877856.db2.gz JKBWPCKVBNIZSK-ZRNYENFQSA-N 1 0 297.442 3.895 40 0 CHABRO CCCCO[C@H]1OC[N@@H+](C2CCCCC2)CC1(C)C ZINC000061916436 567897236 /nfs/dbraw/zinc/89/72/36/567897236.db2.gz QTUOZAGXZXTNCK-HNNXBMFYSA-N 1 0 269.429 3.778 40 0 CHABRO Cc1ncc([C@H]2CCC[N@H+]2C)c2c3ccccc3[nH]c21 ZINC000000047466 567905938 /nfs/dbraw/zinc/90/59/38/567905938.db2.gz DIZAFWUMCZPYGF-OAHLLOKOSA-N 1 0 265.360 3.791 40 0 biogenic CHABRO CC(C)C[N@@H+]1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096215264 567910141 /nfs/dbraw/zinc/91/01/41/567910141.db2.gz DTEUEBSEHFELKS-QGZVFWFLSA-N 1 0 292.492 3.692 40 0 CHABRO C([C@H]1CO[C@]2(CC[C@H]3CCCC[C@@H]3C2)O1)[NH+]1CCCCC1 ZINC000101120270 567914610 /nfs/dbraw/zinc/91/46/10/567914610.db2.gz XBGMCAWJVPHBRD-ZJPYXAASSA-N 1 0 293.451 3.574 40 0 CHABRO C([C@H]1CO[C@@]2(CC[C@H]3CCCC[C@@H]3C2)O1)[NH+]1CCCCC1 ZINC000101120275 567914683 /nfs/dbraw/zinc/91/46/83/567914683.db2.gz XBGMCAWJVPHBRD-BDXSIMOUSA-N 1 0 293.451 3.574 40 0 CHABRO COc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211689 567917458 /nfs/dbraw/zinc/91/74/58/567917458.db2.gz IIQADJJBRGAKIV-KRWDZBQOSA-N 1 0 282.387 3.817 40 0 CHABRO CCOc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072211862 567917887 /nfs/dbraw/zinc/91/78/87/567917887.db2.gz ILNUDXWJUZUNGI-OAHLLOKOSA-N 1 0 262.397 3.663 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211615 567917923 /nfs/dbraw/zinc/91/79/23/567917923.db2.gz JXWLYYIGNWYILH-LBPRGKRZSA-N 1 0 283.213 3.637 40 0 CHABRO CCN(CC)c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072212856 567918549 /nfs/dbraw/zinc/91/85/49/567918549.db2.gz QTLWPMIWGWHSRB-INIZCTEOSA-N 1 0 275.440 3.863 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213858 567918748 /nfs/dbraw/zinc/91/87/48/567918748.db2.gz YCIFGKQBDORCGC-MRXNPFEDSA-N 1 0 273.424 3.981 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213742 567918789 /nfs/dbraw/zinc/91/87/89/567918789.db2.gz SAGIRACAGZQNDB-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO CC[C@@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213503 567918802 /nfs/dbraw/zinc/91/88/02/567918802.db2.gz OBRGPSBTKPREKR-HIFRSBDPSA-N 1 0 261.413 3.837 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213855 567919138 /nfs/dbraw/zinc/91/91/38/567919138.db2.gz YNSLOTZERRBIHA-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO c1cnc(NC2CCCCC2)c([C@H]2CCCC[NH2+]2)c1 ZINC000072214031 567919537 /nfs/dbraw/zinc/91/95/37/567919537.db2.gz LOFUKWMDHHUUGW-OAHLLOKOSA-N 1 0 259.397 3.641 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214369 567920058 /nfs/dbraw/zinc/92/00/58/567920058.db2.gz KWXYDFAYPOVDCN-CYBMUJFWSA-N 1 0 291.395 3.585 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217845 567920734 /nfs/dbraw/zinc/92/07/34/567920734.db2.gz XLJFJBKWYUYPCV-CYBMUJFWSA-N 1 0 252.789 3.980 40 0 CHABRO Cc1[nH]c(=S)ccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072218400 567920893 /nfs/dbraw/zinc/92/08/93/567920893.db2.gz IVKXZLREVGYWDR-ZDUSSCGKSA-N 1 0 250.411 3.614 40 0 CHABRO Cc1ccc(-c2cc(C3(C[NH3+])CCCC3)no2)c(C)c1 ZINC000072220690 567921044 /nfs/dbraw/zinc/92/10/44/567921044.db2.gz SFRNIKBASONDJZ-UHFFFAOYSA-N 1 0 270.376 3.729 40 0 CHABRO Cc1[nH]c(=S)ccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218403 567921092 /nfs/dbraw/zinc/92/10/92/567921092.db2.gz TURJPXZTDGOQDZ-CQSZACIVSA-N 1 0 264.438 3.862 40 0 CHABRO Cc1cc([C@H]2CCCC[N@H+]2C(C)C)c[nH]c1=S ZINC000072218281 567921154 /nfs/dbraw/zinc/92/11/54/567921154.db2.gz PFBKRGPFROJBQN-CYBMUJFWSA-N 1 0 250.411 3.614 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218805 567921605 /nfs/dbraw/zinc/92/16/05/567921605.db2.gz LEVQCMVCSIHQKM-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO Cc1nc(N2CCCCC2)ccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072219280 567921615 /nfs/dbraw/zinc/92/16/15/567921615.db2.gz PUKHKJFUFFNVJN-QGZVFWFLSA-N 1 0 287.451 3.926 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218704 567921693 /nfs/dbraw/zinc/92/16/93/567921693.db2.gz FXSICGKCPXRCTN-MRXNPFEDSA-N 1 0 275.440 3.783 40 0 CHABRO CNc1cc(C)c([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072219029 567921721 /nfs/dbraw/zinc/92/17/21/567921721.db2.gz JIKHSVKCPHDXPW-KRWDZBQOSA-N 1 0 281.403 3.769 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218926 567921826 /nfs/dbraw/zinc/92/18/26/567921826.db2.gz YDVNFHVQAPIRFL-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218806 567921861 /nfs/dbraw/zinc/92/18/61/567921861.db2.gz LEVQCMVCSIHQKM-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1NC(C)(C)C ZINC000072222937 567922216 /nfs/dbraw/zinc/92/22/16/567922216.db2.gz LTWPMTCFBIOUAR-HNNXBMFYSA-N 1 0 269.392 3.649 40 0 CHABRO C[NH2+]CCCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453170 567930684 /nfs/dbraw/zinc/93/06/84/567930684.db2.gz LUXUTUOOXPOZPF-UHFFFAOYSA-N 1 0 251.679 3.511 40 0 CHABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453168 567930761 /nfs/dbraw/zinc/93/07/61/567930761.db2.gz HSFKHCXRMWCJII-IUCAKERBSA-N 1 0 263.690 3.682 40 0 CHABRO COc1ccc2nc(Cl)c(C[NH2+]C3CCCC3)cc2c1 ZINC000004436372 567932505 /nfs/dbraw/zinc/93/25/05/567932505.db2.gz IGLSEDAKZNSEGN-UHFFFAOYSA-N 1 0 290.794 3.929 40 0 CHABRO c1ccc(C[n+]2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000000405532 567936267 /nfs/dbraw/zinc/93/62/67/567936267.db2.gz KKNQYCKHPHVGFZ-UHFFFAOYSA-O 1 0 286.358 3.566 40 0 CHABRO CC[NH+]1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000001683345 567937317 /nfs/dbraw/zinc/93/73/17/567937317.db2.gz IZTXOLYDQAZEMI-UHFFFAOYSA-N 1 0 289.810 3.784 40 0 CHABRO CCOC(=O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000002035974 567937568 /nfs/dbraw/zinc/93/75/68/567937568.db2.gz YFNGCKXAIRGJTA-UHFFFAOYSA-N 1 0 267.413 3.517 40 0 CHABRO C[n+]1cccc([C@H]2O[C@@H]3CCCC[C@@H]3C3=CCCC[C@H]32)c1 ZINC000012655907 567940453 /nfs/dbraw/zinc/94/04/53/567940453.db2.gz RSUINDYISXUKNH-NCXUSEDFSA-N 1 0 284.423 3.868 40 0 CHABRO CC[C@H]([NH2+]C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000222636565 567948841 /nfs/dbraw/zinc/94/88/41/567948841.db2.gz BGTBQYSDOSTYME-INIZCTEOSA-N 1 0 285.387 3.945 40 0 CHABRO CCOc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CC ZINC000223769176 567950682 /nfs/dbraw/zinc/95/06/82/567950682.db2.gz GJVQCFVCIARZDX-UHFFFAOYSA-N 1 0 274.408 3.866 40 0 CHABRO Cc1[nH]c2ccc(OC(C)C)cc2c1C[NH2+]C(C)C ZINC000223769504 567950733 /nfs/dbraw/zinc/95/07/33/567950733.db2.gz JYDJOCUNODMSNG-UHFFFAOYSA-N 1 0 260.381 3.762 40 0 CHABRO CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000225170339 567952762 /nfs/dbraw/zinc/95/27/62/567952762.db2.gz SOKGFMQEYUVEBR-WMLDXEAASA-N 1 0 277.408 3.695 40 0 CHABRO CCCCOc1cccc([C@@H](C)[NH2+]CCCOC)c1 ZINC000225166688 567952776 /nfs/dbraw/zinc/95/27/76/567952776.db2.gz OVLCUWUURLYGNN-CQSZACIVSA-N 1 0 265.397 3.553 40 0 CHABRO CCCCOc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000032114205 567955795 /nfs/dbraw/zinc/95/57/95/567955795.db2.gz GYMWHKXCXTVVRN-UHFFFAOYSA-N 1 0 265.397 3.620 40 0 CHABRO CCCCn1c2ccc(Cl)cc2nc1[C@H](C)[NH3+] ZINC000064874477 570392872 /nfs/dbraw/zinc/39/28/72/570392872.db2.gz IHQLKRTWNIYTSQ-VIFPVBQESA-N 1 0 251.761 3.510 40 0 CHABRO C[NH+]1CCC(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000174465769 1126770997 /nfs/dbraw/zinc/77/09/97/1126770997.db2.gz WSIROINKJIPLSC-UHFFFAOYSA-N 1 0 294.398 3.634 40 0 CHABRO OC[C@H](c1cccc(Cl)c1Cl)N1CCCCC1 ZINC000070453286 1118294834 /nfs/dbraw/zinc/29/48/34/1118294834.db2.gz JNWZHNNYQCKSDD-GFCCVEGCSA-N 1 0 274.191 3.513 40 0 CHABRO NC(=[NH2+])c1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000199742559 1118697050 /nfs/dbraw/zinc/69/70/50/1118697050.db2.gz BYSXBNWXLMHYRE-UHFFFAOYSA-N 1 0 257.935 3.584 40 0 CHABRO c1sc2c(c1CC[NH2+]Cc1ccccc1)CCCC2 ZINC000012376482 1121070817 /nfs/dbraw/zinc/07/08/17/1121070817.db2.gz XEUXLXKBEYCJHW-UHFFFAOYSA-N 1 0 271.429 3.959 40 0 CHABRO CC[C@@H](C)Nc1nc(N[C@H](C)CC)[nH+]c(N[C@H](C)CC)n1 ZINC000255189169 1121696447 /nfs/dbraw/zinc/69/64/47/1121696447.db2.gz OEPDXZREYVLSAP-IJLUTSLNSA-N 1 0 294.447 3.503 40 0 CHABRO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000096058308 185078805 /nfs/dbraw/zinc/07/88/05/185078805.db2.gz CAEWSVAAPWBPMF-BZSNNMDCSA-N 1 0 298.455 3.580 40 0 CHABRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1OC1CCCC1 ZINC000225162280 189744412 /nfs/dbraw/zinc/74/44/12/189744412.db2.gz RDERECKJMXNEPY-GDBMZVCRSA-N 1 0 289.419 3.838 40 0 CHABRO CC[n+]1cccc(-c2nc3c(cccc3C)s2)c1 ZINC000226776625 189778287 /nfs/dbraw/zinc/77/82/87/189778287.db2.gz BWLRMELYTFAVJC-UHFFFAOYSA-N 1 0 255.366 3.579 40 0 CHABRO Cc1cnc(C2(C)CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000257212948 190013049 /nfs/dbraw/zinc/01/30/49/190013049.db2.gz CFNXVWBWOVRESA-UHFFFAOYSA-N 1 0 292.370 3.757 40 0 CHABRO CCCn1nccc1-c1cccc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257333898 190035724 /nfs/dbraw/zinc/03/57/24/190035724.db2.gz YDOXMKLIDPCZCG-QGZVFWFLSA-N 1 0 298.434 3.900 40 0 CHABRO CC[C@@H]([NH3+])c1ccc(SCc2ccccc2)nc1 ZINC000072225417 256703598 /nfs/dbraw/zinc/70/35/98/256703598.db2.gz NCHRGSXLELQBPL-CQSZACIVSA-N 1 0 258.390 3.784 40 0 CHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+][C@@H]3CCCC[C@H]3C)cc2c1 ZINC000004130497 169936461 /nfs/dbraw/zinc/93/64/61/169936461.db2.gz MOVBEKVSGZJPOK-CXAGYDPISA-N 1 0 298.430 3.813 40 0 CHABRO C([C@H]1CO[C@@]2(CC[C@@H]3CCCC[C@@H]3C2)O1)[NH+]1CCCCC1 ZINC000004713523 170003509 /nfs/dbraw/zinc/00/35/09/170003509.db2.gz XBGMCAWJVPHBRD-MHORFTMASA-N 1 0 293.451 3.574 40 0 CHABRO Cc1ccc([C@H]2C[N@H+](C)CC[C@]2(O)c2ccc(C)cc2)cc1 ZINC000004963709 170045932 /nfs/dbraw/zinc/04/59/32/170045932.db2.gz BVTSSYHMGQTDKX-UXHICEINSA-N 1 0 295.426 3.610 40 0 CHABRO CC[C@@]1(C)C[C@H]([C@H](CC[NH3+])c2ccccc2)CCO1 ZINC000005908341 170153400 /nfs/dbraw/zinc/15/34/00/170153400.db2.gz XFYDEOVNLBSXAJ-ZACQAIPSSA-N 1 0 261.409 3.714 40 0 CHABRO CCCC[C@H](C(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000006379731 170196190 /nfs/dbraw/zinc/19/61/90/170196190.db2.gz ACEVRBWGLLSTDJ-MRXNPFEDSA-N 1 0 259.393 3.914 40 0 CHABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OC ZINC000008254368 170327425 /nfs/dbraw/zinc/32/74/25/170327425.db2.gz KGBUIKSFEHSLDI-CQSZACIVSA-N 1 0 285.387 3.945 40 0 CHABRO CCOc1ccc(C[NH2+]C2CCCCCC2)cc1OC ZINC000008324684 170331440 /nfs/dbraw/zinc/33/14/40/170331440.db2.gz YLTGLQYNTVXPLD-UHFFFAOYSA-N 1 0 277.408 3.906 40 0 CHABRO CCOc1ccc2ccccc2c1C[NH2+]CC(C)C ZINC000008325073 170331555 /nfs/dbraw/zinc/33/15/55/170331555.db2.gz FTXVSVSEKZWIOY-UHFFFAOYSA-N 1 0 257.377 3.984 40 0 CHABRO COc1ccc(Cl)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000022076430 171352008 /nfs/dbraw/zinc/35/20/08/171352008.db2.gz CMMWGALIYNONJL-UHFFFAOYSA-N 1 0 293.769 3.820 40 0 CHABRO C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]1CCC[NH2+]2 ZINC000033702323 171818265 /nfs/dbraw/zinc/81/82/65/171818265.db2.gz GWLZIXUQGCRFNW-PKRLLGJHSA-N 1 0 289.463 3.652 40 0 CHABRO CCCC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000035462431 172210907 /nfs/dbraw/zinc/21/09/07/172210907.db2.gz LQUFRKDVBOIIBV-LBPRGKRZSA-N 1 0 256.187 3.900 40 0 CHABRO c1ccc(CN[C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000038274347 174138250 /nfs/dbraw/zinc/13/82/50/174138250.db2.gz SJBYIGXWWGSEES-PMACEKPBSA-N 1 0 294.442 3.877 40 0 CHABRO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OC(C)C ZINC000040728711 174388070 /nfs/dbraw/zinc/38/80/70/174388070.db2.gz GUEHBIBJCSAVIL-ZDUSSCGKSA-N 1 0 265.397 3.761 40 0 CHABRO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OC(C)C ZINC000040728709 174388100 /nfs/dbraw/zinc/38/81/00/174388100.db2.gz GUEHBIBJCSAVIL-CYBMUJFWSA-N 1 0 265.397 3.761 40 0 CHABRO C[NH+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000072238806 176347309 /nfs/dbraw/zinc/34/73/09/176347309.db2.gz WCBXDBDMOKDCJS-UHFFFAOYSA-N 1 0 283.400 3.662 40 0 CHABRO [NH3+]CCCCc1c2ccccc2[nH]c1-c1ccncc1 ZINC000006258086 260022508 /nfs/dbraw/zinc/02/25/08/260022508.db2.gz OXSPAFHPBZTZKD-UHFFFAOYSA-N 1 0 265.360 3.511 40 0 CHABRO CC(C)[NH2+]Cc1ccc(OCCC(F)(F)F)cc1 ZINC000080936585 260182345 /nfs/dbraw/zinc/18/23/45/260182345.db2.gz CRKIOPNTJZQNOS-UHFFFAOYSA-N 1 0 261.287 3.516 40 0 CHABRO CCC[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000035576749 330247920 /nfs/dbraw/zinc/24/79/20/330247920.db2.gz YARKSZQSDLYPST-GOSISDBHSA-N 1 0 269.388 3.979 40 0 CHABRO CC[NH+](CC)Cc1ccc(NC(=O)/C=C/c2ccco2)cc1 ZINC000000568296 528190673 /nfs/dbraw/zinc/19/06/73/528190673.db2.gz KAXGXOFEAXDOHQ-VAWYXSNFSA-N 1 0 298.386 3.773 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218279 567921301 /nfs/dbraw/zinc/92/13/01/567921301.db2.gz YFOJOXFZSTVKJS-ZDUSSCGKSA-N 1 0 250.411 3.616 40 0 CHABRO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](CCC(C)C)C3)o2)cc1 ZINC000049169928 560084563 /nfs/dbraw/zinc/08/45/63/560084563.db2.gz ZPXXPLBSCIBGNL-INIZCTEOSA-N 1 0 299.418 3.880 40 0 biogenic,in-vitro CHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368632 567104115 /nfs/dbraw/zinc/10/41/15/567104115.db2.gz FIZLAPMVBYATNF-HIFRSBDPSA-N 1 0 261.413 3.839 40 0 CHABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)cc2Cl)C1 ZINC000020081646 567112789 /nfs/dbraw/zinc/11/27/89/567112789.db2.gz UJGDOGDFIJTPLX-YGRLFVJLSA-N 1 0 287.234 3.725 40 0 CHABRO CCCCC[C@@H](C(=O)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000096032893 567138328 /nfs/dbraw/zinc/13/83/28/567138328.db2.gz HYDJQOYJALXHLU-KRWDZBQOSA-N 1 0 289.419 3.923 40 0 in-vitro CHABRO Brc1ccc([C@@H]2C[C@H]2C[NH+]2CCCC2)cc1 ZINC000217809359 567175400 /nfs/dbraw/zinc/17/54/00/567175400.db2.gz XRBKNTXOIJFLEF-JSGCOSHPSA-N 1 0 280.209 3.648 40 0 CHABRO Clc1ccccc1C[N+]1=Cc2ccsc2CC1 ZINC000065739349 567220129 /nfs/dbraw/zinc/22/01/29/567220129.db2.gz RLTCLQFOWWSHJX-UHFFFAOYSA-N 1 0 262.785 3.589 40 0 endogenous,world CHABRO CC[n+]1c(/C=C(\C)SC)sc2ccccc21 ZINC000000294965 567824248 /nfs/dbraw/zinc/82/42/48/567824248.db2.gz OYTDDSBUXRFUKL-MDZDMXLPSA-N 1 0 250.412 3.933 40 0 CHABRO CC(=O)C(CCC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001577619 567838232 /nfs/dbraw/zinc/83/82/32/567838232.db2.gz HOJTUKADSAKTEA-UHFFFAOYSA-N 1 0 295.426 3.904 40 0 CHABRO CC[NH+](CC)C[C@H](Oc1ccccc1)C(=O)c1ccccc1 ZINC000001648434 567839935 /nfs/dbraw/zinc/83/99/35/567839935.db2.gz QZQSOAHZXPHQCZ-SFHVURJKSA-N 1 0 297.398 3.659 40 0 CHABRO Cc1[o+]c2cc(C)c(C)cc2n1Cc1ccccc1 ZINC000001655663 567840381 /nfs/dbraw/zinc/84/03/81/567840381.db2.gz UEAFIGLMISBPDB-UHFFFAOYSA-N 1 0 252.337 3.694 40 0 CHABRO Cc1ccc(C(C)C)cc1[C@@H](O)C[NH+]1CCCCC1 ZINC000001667135 567840729 /nfs/dbraw/zinc/84/07/29/567840729.db2.gz KYZKBGNXPBDDHT-KRWDZBQOSA-N 1 0 261.409 3.638 40 0 CHABRO CC[NH+](CC)C[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001671249 567841162 /nfs/dbraw/zinc/84/11/62/567841162.db2.gz AJVAWAZHINELBV-MOPGFXCFSA-N 1 0 283.415 3.846 40 0 CHABRO Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccccn1 ZINC000001685129 567841415 /nfs/dbraw/zinc/84/14/15/567841415.db2.gz KWPRKXDMQWZUCB-UHFFFAOYSA-N 1 0 261.348 3.642 40 0 CHABRO O=C(CC[NH+]1CCCCC1)c1csc2ccccc12 ZINC000001701087 567842052 /nfs/dbraw/zinc/84/20/52/567842052.db2.gz IVQOCTZDCXKGHW-UHFFFAOYSA-N 1 0 273.401 3.960 40 0 in-vitro CHABRO Cc1ccc([C@@H]2C[N@H+](C)CC[C@]2(O)c2ccc(C)cc2)cc1 ZINC000001719766 567842313 /nfs/dbraw/zinc/84/23/13/567842313.db2.gz BVTSSYHMGQTDKX-PMACEKPBSA-N 1 0 295.426 3.610 40 0 CHABRO Brc1ccccc1C[n+]1ccc2ccccc2c1 ZINC000001870595 567843730 /nfs/dbraw/zinc/84/37/30/567843730.db2.gz MTSBIDXSNQCMLP-UHFFFAOYSA-N 1 0 299.191 3.938 40 0 CHABRO C[C@H]1C[C@]2(C[C@H](C)[N@@H+](C)C[C@@H]2C)Nc2ccccc21 ZINC000004006410 567854759 /nfs/dbraw/zinc/85/47/59/567854759.db2.gz DSXWYDFCIRWJDM-AYMQEEERSA-N 1 0 258.409 3.705 40 0 CHABRO C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000004119585 567855477 /nfs/dbraw/zinc/85/54/77/567855477.db2.gz GGCLDJYYOISOSI-HMWCEDEHSA-N 1 0 281.399 3.705 40 0 CHABRO O=C(c1ccccc1)[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000004228022 567856212 /nfs/dbraw/zinc/85/62/12/567856212.db2.gz PEARTEASXPIIQB-LJQANCHMSA-N 1 0 293.410 3.967 40 0 CHABRO FC(F)(F)c1cc(NC2CC[NH2+]CC2)ccc1Cl ZINC000004312838 567856528 /nfs/dbraw/zinc/85/65/28/567856528.db2.gz ZRBWLTRPLYOSKZ-UHFFFAOYSA-N 1 0 278.705 3.523 40 0 CHABRO COc1cc2cccnc2c(NCCC[C@@H]2CCCC[NH2+]2)c1 ZINC000004365377 567856971 /nfs/dbraw/zinc/85/69/71/567856971.db2.gz BMOWBCJBOOAZSL-HNNXBMFYSA-N 1 0 299.418 3.578 40 0 CHABRO CC[NH+](CC)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000004416394 567857419 /nfs/dbraw/zinc/85/74/19/567857419.db2.gz KHAVOAZXCFZPQI-YCPHGPKFSA-N 1 0 253.430 3.560 40 0 CHABRO CCCCc1ccc(C2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000079030370 567861464 /nfs/dbraw/zinc/86/14/64/567861464.db2.gz UMCAHWKVBUNZSN-UHFFFAOYSA-N 1 0 275.436 3.721 40 0 CHABRO CCCn1c(/C=C/C2=CC[N@H+](C)CC2)nc2ccccc21 ZINC000012115900 567862383 /nfs/dbraw/zinc/86/23/83/567862383.db2.gz DJKCLFVTIYZPRJ-CMDGGOBGSA-N 1 0 281.403 3.721 40 0 CHABRO CC(C)(C)[N@@H+]1CCO[C@H](c2cc3ccccc3o2)C1 ZINC000014982182 567869979 /nfs/dbraw/zinc/86/99/79/567869979.db2.gz FSLQAJDYQZJWQT-HNNXBMFYSA-N 1 0 259.349 3.605 40 0 CHABRO c1ccc(COc2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000016480395 567872974 /nfs/dbraw/zinc/87/29/74/567872974.db2.gz YNSUOZJVQSBFBF-UHFFFAOYSA-N 1 0 253.345 3.518 40 0 CHABRO c1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019373869 567877976 /nfs/dbraw/zinc/87/79/76/567877976.db2.gz JKBWPCKVBNIZSK-MUGJNUQGSA-N 1 0 297.442 3.895 40 0 CHABRO CC[C@H](C)[NH2+]Cc1ccc(OCC(C)C)c(OC)c1 ZINC000032114239 567886075 /nfs/dbraw/zinc/88/60/75/567886075.db2.gz LTFQRZYFUWUXRO-ZDUSSCGKSA-N 1 0 265.397 3.618 40 0 CHABRO C[NH2+][C@H](C)C[C@]12C[C@H]3C[C@H](C[C@](Br)(C3)C1)C2 ZINC000100262101 567912708 /nfs/dbraw/zinc/91/27/08/567912708.db2.gz TYGZLRGXVVMQMY-RKQHYHRCSA-N 1 0 286.257 3.718 40 0 CHABRO Cc1ccc2[nH]c(=O)c(C[NH2+][C@H](C)c3ccccc3)cc2c1 ZINC000013998778 567912916 /nfs/dbraw/zinc/91/29/16/567912916.db2.gz GBFWEBZFSUQTBA-CQSZACIVSA-N 1 0 292.382 3.687 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211903 567917464 /nfs/dbraw/zinc/91/74/64/567917464.db2.gz POQNGYIIPFTQAI-HNNXBMFYSA-N 1 0 262.397 3.662 40 0 CHABRO CCOC(=O)C[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000072210304 567917863 /nfs/dbraw/zinc/91/78/63/567917863.db2.gz OSCYBWFDNQMSBS-HNNXBMFYSA-N 1 0 295.810 3.820 40 0 CHABRO Cc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211281 567917897 /nfs/dbraw/zinc/91/78/97/567917897.db2.gz AQBUYNFMAJUPBL-QGZVFWFLSA-N 1 0 252.361 3.727 40 0 CHABRO CCN(C)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212765 567918044 /nfs/dbraw/zinc/91/80/44/567918044.db2.gz TXDISWLOLSHQDY-SFHVURJKSA-N 1 0 295.430 3.875 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212010 567918188 /nfs/dbraw/zinc/91/81/88/567918188.db2.gz NAWKIGLSDYEGQW-QGZVFWFLSA-N 1 0 282.387 3.817 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212184 567918347 /nfs/dbraw/zinc/91/83/47/567918347.db2.gz XTYQFACUIFRVSP-OAHLLOKOSA-N 1 0 254.333 3.641 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212124 567918414 /nfs/dbraw/zinc/91/84/14/567918414.db2.gz HHESBKMRILLWOC-OAHLLOKOSA-N 1 0 254.333 3.641 40 0 CHABRO CCN(CC)c1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072212916 567918501 /nfs/dbraw/zinc/91/85/01/567918501.db2.gz JUEIRAGVQPAVOU-INIZCTEOSA-N 1 0 275.440 3.863 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1OC(C)C ZINC000072211962 567918594 /nfs/dbraw/zinc/91/85/94/567918594.db2.gz FRCYRFSDMRZTJJ-OAHLLOKOSA-N 1 0 262.397 3.662 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212033 567918616 /nfs/dbraw/zinc/91/86/16/567918616.db2.gz VHHASBILFTZSES-QGZVFWFLSA-N 1 0 282.387 3.817 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213914 567918814 /nfs/dbraw/zinc/91/88/14/567918814.db2.gz QIQPXMKILYEWBF-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213903 567918914 /nfs/dbraw/zinc/91/89/14/567918914.db2.gz ULRGLZRRGOLEMO-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213975 567919066 /nfs/dbraw/zinc/91/90/66/567919066.db2.gz ONIVZYZQKWPHHG-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213508 567919202 /nfs/dbraw/zinc/91/92/02/567919202.db2.gz FIZLAPMVBYATNF-ZFWWWQNUSA-N 1 0 261.413 3.839 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214310 567919482 /nfs/dbraw/zinc/91/94/82/567919482.db2.gz JYMVNBAHLKECBD-ZDUSSCGKSA-N 1 0 291.395 3.585 40 0 CHABRO CN(c1ccccc1)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072214210 567919895 /nfs/dbraw/zinc/91/98/95/567919895.db2.gz DHVCRWDBVBCLIM-INIZCTEOSA-N 1 0 267.376 3.664 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215940 567920250 /nfs/dbraw/zinc/92/02/50/567920250.db2.gz BDRMMKLYWLGGIK-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO COc1ncc([C@@H]2CCCC[N@@H+]2CC(C)C)cc1C ZINC000072217743 567920636 /nfs/dbraw/zinc/92/06/36/567920636.db2.gz RJJOSEROBQVSAB-HNNXBMFYSA-N 1 0 262.397 3.582 40 0 CHABRO Cc1nc(Cl)ccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072217920 567920716 /nfs/dbraw/zinc/92/07/16/567920716.db2.gz BNUMWGABLJBQDM-ZDUSSCGKSA-N 1 0 252.789 3.979 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216045 567920722 /nfs/dbraw/zinc/92/07/22/567920722.db2.gz NEDNRMHCNBMXJV-QGZVFWFLSA-N 1 0 287.451 3.865 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215941 567920784 /nfs/dbraw/zinc/92/07/84/567920784.db2.gz BDRMMKLYWLGGIK-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218265 567921200 /nfs/dbraw/zinc/92/12/00/567921200.db2.gz VNMOGWIENVPLDT-CYBMUJFWSA-N 1 0 250.411 3.616 40 0 CHABRO S=c1[nH]cccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072217050 567921317 /nfs/dbraw/zinc/92/13/17/567921317.db2.gz LUWLKJZPTKEDJC-OAHLLOKOSA-N 1 0 270.401 3.707 40 0 CHABRO Cc1nc(N2CCCCC2)ccc1[C@H]1CCCC[N@H+]1C ZINC000072219295 567921683 /nfs/dbraw/zinc/92/16/83/567921683.db2.gz UYHMXXMEPCPVBC-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218939 567921843 /nfs/dbraw/zinc/92/18/43/567921843.db2.gz LCDGNVWIVDILDQ-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218922 567921863 /nfs/dbraw/zinc/92/18/63/567921863.db2.gz QSWQUQAZBFDLSP-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc([C@H]2CCCC[N@H+]2C)cnc1N1CCCCC1 ZINC000072219175 567921887 /nfs/dbraw/zinc/92/18/87/567921887.db2.gz NCUPKNJPVVDCFO-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO CC[C@@H]([NH3+])c1cnc(Sc2ccccc2)cc1C ZINC000072223189 567922229 /nfs/dbraw/zinc/92/22/29/567922229.db2.gz PIJLTQXFNZPZDW-CQSZACIVSA-N 1 0 258.390 3.951 40 0 CHABRO CCOc1ccc([C@](O)(CC)CC[NH+]2CCCCC2)cc1 ZINC000000201375 567929470 /nfs/dbraw/zinc/92/94/70/567929470.db2.gz DDZMHXQGKGEGKL-SFHVURJKSA-N 1 0 291.435 3.559 40 0 CHABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H]([NH3+])CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000013424195 567941661 /nfs/dbraw/zinc/94/16/61/567941661.db2.gz WMEBIWWUBWHAOJ-VXZRPZIYSA-N 1 0 291.479 3.717 40 0 CHABRO CC[NH2+]Cc1cc(C)n(Cc2cccc(C)c2)c1C ZINC000223662694 567950249 /nfs/dbraw/zinc/95/02/49/567950249.db2.gz WIVUSJJSMUUMGE-UHFFFAOYSA-N 1 0 256.393 3.571 40 0 CHABRO CCCCn1c(C)c(C[NH3+])c2cc(OC(C)C)ccc21 ZINC000223756408 567950534 /nfs/dbraw/zinc/95/05/34/567950534.db2.gz FFSYMLNQGNSAGH-UHFFFAOYSA-N 1 0 274.408 3.996 40 0 CHABRO CCCCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000225162137 567952354 /nfs/dbraw/zinc/95/23/54/567952354.db2.gz HIVCPSLTVHCDSA-LSDHHAIUSA-N 1 0 277.408 3.695 40 0 CHABRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(OC2CCCC2)cc1 ZINC000225170458 567952707 /nfs/dbraw/zinc/95/27/07/567952707.db2.gz GYUQTINHPPYZEQ-RDTXWAMCSA-N 1 0 289.419 3.838 40 0 CHABRO CC(C)Cc1ccc(C[NH2+]Cc2ccccc2)n1C ZINC000226020233 567955559 /nfs/dbraw/zinc/95/55/59/567955559.db2.gz CCYUNOORNWRETN-UHFFFAOYSA-N 1 0 256.393 3.513 40 0 CHABRO CC[NH+](CC)CCOC(=O)C[C@@H](C)c1cc(C)ccc1C ZINC000255190705 570323282 /nfs/dbraw/zinc/32/32/82/570323282.db2.gz YXNWRLYGRLVNMZ-MRXNPFEDSA-N 1 0 291.435 3.682 40 0 CHABRO C[C@H]1CCC[C@H](C)[NH+]1CCCOc1ccc(C=O)cc1 ZINC000217790399 230396740 /nfs/dbraw/zinc/39/67/40/230396740.db2.gz PFGDLLKEWPKCDC-GJZGRUSLSA-N 1 0 275.392 3.531 40 0 CHABRO C[C@H]1C[C@H](C)C[NH+](CCCCOc2ccccc2C=O)C1 ZINC000217796592 230396819 /nfs/dbraw/zinc/39/68/19/230396819.db2.gz CEXLILJLAPBTAC-HOTGVXAUSA-N 1 0 289.419 3.636 40 0 CHABRO CC(C)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047899 185073163 /nfs/dbraw/zinc/07/31/63/185073163.db2.gz QPMSFUGQSTYCKY-AWEZNQCLSA-N 1 0 279.449 3.775 40 0 CHABRO c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019373732 184534293 /nfs/dbraw/zinc/53/42/93/184534293.db2.gz GWXPQEXEPYMTMU-FCGDIQPGSA-N 1 0 278.399 3.754 40 0 CHABRO CC[C@@H]([NH3+])c1ccc(N(C)c2ccccc2)nc1C ZINC000072224392 256704957 /nfs/dbraw/zinc/70/49/57/256704957.db2.gz CNOPEWJPWKPGDQ-OAHLLOKOSA-N 1 0 255.365 3.568 40 0 CHABRO Cc1nc(Cl)ccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072217903 256709449 /nfs/dbraw/zinc/70/94/49/256709449.db2.gz PXAMAPUTXROFOZ-ZDUSSCGKSA-N 1 0 252.789 3.836 40 0 CHABRO CSc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072216903 256710668 /nfs/dbraw/zinc/71/06/68/256710668.db2.gz ODKADYXKFLWGLT-CQSZACIVSA-N 1 0 264.438 3.987 40 0 CHABRO [NH2+]=C(N1CCCc2ccccc21)N1CCCc2ccccc21 ZINC000001683826 134637551 /nfs/dbraw/zinc/63/75/51/134637551.db2.gz YTBDBLBPMFQPCP-UHFFFAOYSA-N 1 0 291.398 3.827 40 0 CHABRO Cc1cc(C)c(C[NH+](C)C)c(C[C@@H](O)c2ccccc2)c1 ZINC000001713604 169748704 /nfs/dbraw/zinc/74/87/04/169748704.db2.gz AATDXFHWKWWEBE-LJQANCHMSA-N 1 0 283.415 3.641 40 0 CHABRO CCN1CCC(c2ccccc2)(c2ccccc2)C1=[NH2+] ZINC000001717945 169749545 /nfs/dbraw/zinc/74/95/45/169749545.db2.gz YGHFNGFMAADBPA-UHFFFAOYSA-N 1 0 264.372 3.676 40 0 CHABRO CC[NH+](CC)CCCOC(=O)c1cc2ccccc2s1 ZINC000001871099 169761500 /nfs/dbraw/zinc/76/15/00/169761500.db2.gz MCXZBVXOYPRAKB-UHFFFAOYSA-N 1 0 291.416 3.790 40 0 CHABRO CC1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C1 ZINC000004889361 170036467 /nfs/dbraw/zinc/03/64/67/170036467.db2.gz GPNLJAZAPSEYDT-JWTNVVGKSA-N 1 0 267.372 3.603 40 0 CHABRO CC(C)=CC[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3CC[C@@H]2C1 ZINC000005158797 170072205 /nfs/dbraw/zinc/07/22/05/170072205.db2.gz UBKGPRKTCCVVBP-VQIMIIECSA-N 1 0 285.431 3.884 40 0 CHABRO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+]1CCCC1 ZINC000005687130 170129144 /nfs/dbraw/zinc/12/91/44/170129144.db2.gz NMVXLKPEQJFIJB-UHFFFAOYSA-N 1 0 290.794 3.806 40 0 CHABRO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)c1 ZINC000005697538 170130467 /nfs/dbraw/zinc/13/04/67/170130467.db2.gz SHQXUKQYDKBFSW-MRXNPFEDSA-N 1 0 288.435 3.671 40 0 CHABRO CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000006430993 170200783 /nfs/dbraw/zinc/20/07/83/170200783.db2.gz DOTQVYCNQKHGAJ-UHFFFAOYSA-N 1 0 255.361 3.765 40 0 CHABRO O[C@@H](CC[NH+]1CC2CCC(CC2)C1)c1ccc(Cl)cc1 ZINC000006536143 170211309 /nfs/dbraw/zinc/21/13/09/170211309.db2.gz HOFIIDWONAPDKX-KVULBXGLSA-N 1 0 293.838 3.886 40 0 CHABRO CC(C)C[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000006883632 170252760 /nfs/dbraw/zinc/25/27/60/170252760.db2.gz XTQMODWFVCJFIG-CYBMUJFWSA-N 1 0 273.376 3.746 40 0 CHABRO CCOCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000008253200 170326966 /nfs/dbraw/zinc/32/69/66/170326966.db2.gz BJQPRAISPXEGID-UHFFFAOYSA-N 1 0 262.180 3.510 40 0 CHABRO CCOc1c(Cl)cc(C[NH2+]C2CCCC2)cc1OC ZINC000008253377 170327034 /nfs/dbraw/zinc/32/70/34/170327034.db2.gz SEXBHJRUDCBWDI-UHFFFAOYSA-N 1 0 283.799 3.780 40 0 CHABRO COc1ccc(CC[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC000015424181 170665649 /nfs/dbraw/zinc/66/56/49/170665649.db2.gz JJXZMRPKHTYSCS-UHFFFAOYSA-N 1 0 280.371 3.509 40 0 CHABRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000034265338 171835928 /nfs/dbraw/zinc/83/59/28/171835928.db2.gz OMJHYGQXULQISO-HUUCEWRRSA-N 1 0 269.388 3.977 40 0 in-vitro CHABRO CC[C@@H](C)n1c2ccc(Cl)cc2nc1[C@@H](C)[NH3+] ZINC000040408267 174254047 /nfs/dbraw/zinc/25/40/47/174254047.db2.gz UTULRFIGBDTCCG-RKDXNWHRSA-N 1 0 251.761 3.680 40 0 CHABRO C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072348569 176373891 /nfs/dbraw/zinc/37/38/91/176373891.db2.gz AVNFRMNLXUIGIJ-HNNXBMFYSA-N 1 0 284.378 3.621 40 0 CHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccs2)on1 ZINC000072395092 176394383 /nfs/dbraw/zinc/39/43/83/176394383.db2.gz OASYFUMENCDVER-SWLSCSKDSA-N 1 0 276.405 3.546 40 0 CHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCc2ccccc2)on1 ZINC000072395101 176394422 /nfs/dbraw/zinc/39/44/22/176394422.db2.gz WUQLCNDYMPPRCM-PKOBYXMFSA-N 1 0 298.430 3.917 40 0 CHABRO FC(F)(F)Oc1ccccc1C[C@H]1CCCC[NH2+]C1 ZINC000077293298 177250183 /nfs/dbraw/zinc/25/01/83/177250183.db2.gz VMCUMPJCUKKCAZ-LLVKDONJSA-N 1 0 273.298 3.517 40 0 in-vitro CHABRO CCCCO[C@H]1C[C@H]2c3ccccc3[C@@H]1c1cccc[n+]12 ZINC000005120983 260017171 /nfs/dbraw/zinc/01/71/71/260017171.db2.gz VCJVDCDMNOMMRL-GBESFXJTSA-N 1 0 280.391 3.598 40 0 CHABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCOc1ccc(C=O)cc1 ZINC000217790314 533826641 /nfs/dbraw/zinc/82/66/41/533826641.db2.gz PFGDLLKEWPKCDC-GASCZTMLSA-N 1 0 275.392 3.531 40 0 CHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2)cc1 ZINC000000568251 528193114 /nfs/dbraw/zinc/19/31/14/528193114.db2.gz HSYWKISLWCMZKJ-UHFFFAOYSA-N 1 0 282.387 3.781 40 0 CHABRO C[C@@H]([NH2+]C(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000041610006 566842721 /nfs/dbraw/zinc/84/27/21/566842721.db2.gz MXUDEADPGZWZCH-MRVPVSSYSA-N 1 0 274.191 3.953 40 0 in-vivo CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000057621209 566843862 /nfs/dbraw/zinc/84/38/62/566843862.db2.gz YUEUWBBCKUTPEO-OAHLLOKOSA-N 1 0 263.381 3.641 40 0 CHABRO COc1ccc(/C=C\c2ccc3ccccc3[n+]2C)cc1 ZINC000016998604 566897064 /nfs/dbraw/zinc/89/70/64/566897064.db2.gz LWTHOCBZFFQOLY-XFFZJAGNSA-N 1 0 276.359 3.843 40 0 CHABRO c1ccc(-c2ccc(-c3noc4c3C[NH2+]CC4)cc2)cc1 ZINC000019200223 566941865 /nfs/dbraw/zinc/94/18/65/566941865.db2.gz NDUPVZLQAFWMNS-UHFFFAOYSA-N 1 0 276.339 3.654 40 0 CHABRO CCc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000062718651 567109493 /nfs/dbraw/zinc/10/94/93/567109493.db2.gz VTDCBGNNAZOLSR-UHFFFAOYSA-N 1 0 293.414 3.848 40 0 CHABRO [NH3+][C@H](Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000021015761 567136025 /nfs/dbraw/zinc/13/60/25/567136025.db2.gz BIXMJSZZOSNAGV-CQSZACIVSA-N 1 0 299.761 3.633 40 0 CHABRO CO/C(=C\c1sc2ccccc2[n+]1C)Cc1ccccc1 ZINC000000844804 567835144 /nfs/dbraw/zinc/83/51/44/567835144.db2.gz NMXHHQGAWKQMHM-SQFISAMPSA-N 1 0 296.415 3.956 40 0 CHABRO c1ccc2c[n+](Cc3ccnc4ccccc34)ccc2c1 ZINC000001501066 567837491 /nfs/dbraw/zinc/83/74/91/567837491.db2.gz LQYIGOGIVWBFNA-UHFFFAOYSA-N 1 0 271.343 3.724 40 0 in-vitro CHABRO CC1(C)c2ccccc2-c2nc3ccccc3c(N)c2[C@H]1O ZINC000001580669 567838350 /nfs/dbraw/zinc/83/83/50/567838350.db2.gz VHOMWMZEFVOMIU-GOSISDBHSA-N 1 0 290.366 3.809 40 0 CHABRO C[NH+](C)Cc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC000001598256 567838916 /nfs/dbraw/zinc/83/89/16/567838916.db2.gz ARPLSLHBKDIBNO-UHFFFAOYSA-N 1 0 280.371 3.809 40 0 CHABRO C[NH+](C)CC[C@H](c1ccccc1)c1cc(Cl)ccn1 ZINC000001598685 567839092 /nfs/dbraw/zinc/83/90/92/567839092.db2.gz DMMWCJKQHYDWJU-OAHLLOKOSA-N 1 0 274.795 3.819 40 0 CHABRO O=C1[C@@H](c2ccccc2)CCC[C@H]1C[NH+]1CCCCC1 ZINC000001637849 567840150 /nfs/dbraw/zinc/84/01/50/567840150.db2.gz YZZLWLVHJAYMRB-DLBZAZTESA-N 1 0 271.404 3.625 40 0 CHABRO O[C@@H](c1cccc2cc(Cl)ccc21)[C@@H]1CCCC[NH2+]1 ZINC000001655469 567840426 /nfs/dbraw/zinc/84/04/26/567840426.db2.gz UUUVXBQKOPGAGB-HOTGVXAUSA-N 1 0 275.779 3.669 40 0 CHABRO C[NH+](C)CCCN1CCC2(CC1)CCC(C)(C)CC2 ZINC000001680249 567841355 /nfs/dbraw/zinc/84/13/55/567841355.db2.gz YJDQGKDHWFUIGT-UHFFFAOYSA-N 1 0 266.473 3.621 40 0 CHABRO CCCCN(CCCC)C(=[NH2+])c1cc(OC)ccc1OC ZINC000001733631 567842859 /nfs/dbraw/zinc/84/28/59/567842859.db2.gz FFYWIINNLNGMTR-UHFFFAOYSA-N 1 0 292.423 3.931 40 0 CHABRO NC(=[NH2+])c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000001745988 567843156 /nfs/dbraw/zinc/84/31/56/567843156.db2.gz QLAFLUSXWDXDLB-UHFFFAOYSA-N 1 0 295.169 3.856 40 0 CHABRO CC(C)N(C(=O)c1ccccc1-c1c[nH+]ccc1N)C(C)C ZINC000002540023 567847824 /nfs/dbraw/zinc/84/78/24/567847824.db2.gz KRDXCIKACUMFSP-UHFFFAOYSA-N 1 0 297.402 3.590 40 0 CHABRO CCOc1cc2c(cc1OC)CC[N@H+](C)[C@H]2CC(C)C ZINC000003847398 567853992 /nfs/dbraw/zinc/85/39/92/567853992.db2.gz SVKASDAOKTXBIR-HNNXBMFYSA-N 1 0 277.408 3.669 40 0 CHABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc(C(C)(C)C)no3)C2)c1 ZINC000019234947 567877171 /nfs/dbraw/zinc/87/71/71/567877171.db2.gz WHZHZJXFJUHVRH-HNNXBMFYSA-N 1 0 299.418 3.665 40 0 CHABRO C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1 ZINC000019496566 567877899 /nfs/dbraw/zinc/87/78/99/567877899.db2.gz VDPLXOGYOJQZNK-CJNGLKHVSA-N 1 0 299.418 3.646 40 0 CHABRO C[C@@H](NCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000023476859 567882107 /nfs/dbraw/zinc/88/21/07/567882107.db2.gz LVJYSFUNASCGCN-IYBDPMFKSA-N 1 0 268.404 3.688 40 0 CHABRO CC(C)(C)c1ccc(-c2nc(CO)c3ccccn32)cc1 ZINC000036644035 567889746 /nfs/dbraw/zinc/88/97/46/567889746.db2.gz BNUZLJCLYDNXJL-UHFFFAOYSA-N 1 0 280.371 3.791 40 0 CHABRO CCOc1cc(Cl)c(C[NH2+]C(C)C)cc1OCC ZINC000013915577 567892467 /nfs/dbraw/zinc/89/24/67/567892467.db2.gz MIPBWPUTKZQORI-UHFFFAOYSA-N 1 0 271.788 3.635 40 0 CHABRO CCC[N@H+]1CC=C(c2nc3cc(C)ccc3o2)CC1 ZINC000073636259 567892961 /nfs/dbraw/zinc/89/29/61/567892961.db2.gz RXCVLBISAKMHEZ-UHFFFAOYSA-N 1 0 256.349 3.635 40 0 CHABRO CCC[N@H+]1CC=C(c2nc3cc(C)c(C)cc3o2)CC1 ZINC000073636273 567893138 /nfs/dbraw/zinc/89/31/38/567893138.db2.gz HWKILRNTHYKZSE-UHFFFAOYSA-N 1 0 270.376 3.944 40 0 CHABRO C[C@H](Cc1ccccc1)[NH2+]C/C=C/c1ccccc1 ZINC000062185975 567897324 /nfs/dbraw/zinc/89/73/24/567897324.db2.gz NMMSKGCUFGCREC-WDBUWWRISA-N 1 0 251.373 3.921 40 0 CHABRO Cc1[nH+]c(-c2ccccc2Br)c(N)n1C1CC1 ZINC000100761331 567913816 /nfs/dbraw/zinc/91/38/16/567913816.db2.gz DJAPUQIAWWQWLA-UHFFFAOYSA-N 1 0 292.180 3.538 40 0 CHABRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072211067 567917674 /nfs/dbraw/zinc/91/76/74/567917674.db2.gz POHOSRLWZRWRET-KRWDZBQOSA-N 1 0 252.361 3.727 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(Cl)nc1 ZINC000072211466 567917800 /nfs/dbraw/zinc/91/78/00/567917800.db2.gz NXMZQKFCVOUEDO-ZDUSSCGKSA-N 1 0 252.789 3.918 40 0 CHABRO CC(C)Oc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072211979 567918522 /nfs/dbraw/zinc/91/85/22/567918522.db2.gz BEMMMKCMKCGQSW-OAHLLOKOSA-N 1 0 262.397 3.804 40 0 CHABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213958 567919023 /nfs/dbraw/zinc/91/90/23/567919023.db2.gz HDYUWITYBLBAHW-INIZCTEOSA-N 1 0 273.424 3.981 40 0 CHABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213837 567919153 /nfs/dbraw/zinc/91/91/53/567919153.db2.gz DJGPUCFARRPBDB-OAHLLOKOSA-N 1 0 259.397 3.591 40 0 CHABRO COc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)c(C)n1 ZINC000072218098 567919540 /nfs/dbraw/zinc/91/95/40/567919540.db2.gz KNAMMSCLYHKFRE-HNNXBMFYSA-N 1 0 262.397 3.582 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214152 567919575 /nfs/dbraw/zinc/91/95/75/567919575.db2.gz QFGZUVMZLOAUSK-MRXNPFEDSA-N 1 0 267.376 3.982 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214370 567919588 /nfs/dbraw/zinc/91/95/88/567919588.db2.gz KWXYDFAYPOVDCN-ZDUSSCGKSA-N 1 0 291.395 3.585 40 0 CHABRO c1ccc(Nc2ncccc2C2=[NH+]CCCC2)cc1 ZINC000072214149 567919693 /nfs/dbraw/zinc/91/96/93/567919693.db2.gz PJIJGBOUANQOIM-UHFFFAOYSA-N 1 0 251.333 3.798 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217346 567919723 /nfs/dbraw/zinc/91/97/23/567919723.db2.gz CJOBJSYONVQAGN-LBPRGKRZSA-N 1 0 250.411 3.739 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214332 567919856 /nfs/dbraw/zinc/91/98/56/567919856.db2.gz XAXNSOLNWQQLST-ZDUSSCGKSA-N 1 0 291.395 3.585 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215927 567920154 /nfs/dbraw/zinc/92/01/54/567920154.db2.gz QUDITTSCFOGEQE-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(SCC)nc1 ZINC000072217123 567921424 /nfs/dbraw/zinc/92/14/24/567921424.db2.gz HTKYFDSUNVNCOG-ZDUSSCGKSA-N 1 0 250.411 3.741 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218878 567921584 /nfs/dbraw/zinc/92/15/84/567921584.db2.gz HOSRDVYCYHVWGG-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072219219 567921883 /nfs/dbraw/zinc/92/18/83/567921883.db2.gz HIDUAEMOURONMU-KRWDZBQOSA-N 1 0 287.451 3.926 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218938 567921924 /nfs/dbraw/zinc/92/19/24/567921924.db2.gz LCDGNVWIVDILDQ-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO [NH3+][C@@H](c1ccccc1)c1ccc(Nc2ccccc2)nc1 ZINC000072225310 567922326 /nfs/dbraw/zinc/92/23/26/567922326.db2.gz OVHTVYYKRMZLTA-SFHVURJKSA-N 1 0 275.355 3.873 40 0 CHABRO Cc1ccc2ccccc2c1NC(=O)C[NH+]1CCCCC1 ZINC000000411581 567929756 /nfs/dbraw/zinc/92/97/56/567929756.db2.gz BNUWZDCJOHCBIP-UHFFFAOYSA-N 1 0 282.387 3.573 40 0 CHABRO CCn1c(C=CNc2ccccc2)[o+]c2ccccc21 ZINC000000357783 567931252 /nfs/dbraw/zinc/93/12/52/567931252.db2.gz OVGXYOVQSWFWGU-UHFFFAOYSA-O 1 0 265.336 3.823 40 0 CHABRO C[C@H]1C[NH+](C)C[C@H](C)C1(O)CCc1ccc2ccccc2c1 ZINC000001425762 567931590 /nfs/dbraw/zinc/93/15/90/567931590.db2.gz KMNOSAADKQHMHJ-HOTGVXAUSA-N 1 0 297.442 3.721 40 0 CHABRO COc1cc(C[NH2+]C2CC2)ccc1OCc1cccc(C)c1 ZINC000016349274 567944541 /nfs/dbraw/zinc/94/45/41/567944541.db2.gz POKSQEUNXFIQNR-UHFFFAOYSA-N 1 0 297.398 3.835 40 0 CHABRO C[NH2+]CCCNc1ccnc2c(Cl)c(Cl)ccc12 ZINC000222680426 567949013 /nfs/dbraw/zinc/94/90/13/567949013.db2.gz YLSPIKOQQCONJQ-UHFFFAOYSA-N 1 0 284.190 3.563 40 0 CHABRO CCCC[NH2+][C@@H](CC)c1ccc(OCC)c(OC)c1 ZINC000222638475 567949084 /nfs/dbraw/zinc/94/90/84/567949084.db2.gz BUPLGEJTHLMBNT-AWEZNQCLSA-N 1 0 265.397 3.935 40 0 CHABRO CCCC[NH2+]Cc1cccn1-c1cccc(C)c1C ZINC000223680451 567950344 /nfs/dbraw/zinc/95/03/44/567950344.db2.gz ZMGVYVSPZKLWMW-UHFFFAOYSA-N 1 0 256.393 3.984 40 0 CHABRO COCCC[NH2+]Cc1cccn1-c1ccc(Cl)cc1C ZINC000223686453 567950386 /nfs/dbraw/zinc/95/03/86/567950386.db2.gz JDHJBJTUPVMAFB-UHFFFAOYSA-N 1 0 292.810 3.565 40 0 CHABRO CCCCn1c(C)c(C[NH2+]C)c2cc(OCC)ccc21 ZINC000223759062 567950819 /nfs/dbraw/zinc/95/08/19/567950819.db2.gz KDHUMRULYZRJAB-UHFFFAOYSA-N 1 0 274.408 3.868 40 0 CHABRO CC[C@H](C)Oc1ccccc1[C@@H](C)[NH2+]CCCOC ZINC000225161690 567952511 /nfs/dbraw/zinc/95/25/11/567952511.db2.gz RVPYOISYUKKLEQ-UONOGXRCSA-N 1 0 265.397 3.551 40 0 CHABRO CC[C@@H](C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000225170553 567952697 /nfs/dbraw/zinc/95/26/97/567952697.db2.gz BHVLXDWIQYEEEP-CPUCHLNUSA-N 1 0 277.408 3.694 40 0 CHABRO [NH3+]C1(c2cc3ccccc3cc2Br)CC1 ZINC000575628845 570350182 /nfs/dbraw/zinc/35/01/82/570350182.db2.gz DCXNJOKFIAGKSL-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO CCO[C@](C)(c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000001568033 1118345630 /nfs/dbraw/zinc/34/56/30/1118345630.db2.gz PNUYOXJICDSTHX-OAHLLOKOSA-N 1 0 267.800 3.591 40 0 CHABRO C[NH+](C)CCOc1cccc(F)c1Oc1ccccc1 ZINC000585265011 1118909394 /nfs/dbraw/zinc/90/93/94/1118909394.db2.gz CCRKDVOBXACOIX-UHFFFAOYSA-N 1 0 275.323 3.558 40 0 CHABRO C[NH+](C)CCCN1c2ccccc2Cc2ccccc21 ZINC000001677753 1121239260 /nfs/dbraw/zinc/23/92/60/1121239260.db2.gz PIRAQJMOVRSLRB-UHFFFAOYSA-N 1 0 266.388 3.681 40 0 CHABRO [NH3+]C1(c2cc(Br)cc3ccccc32)CC1 ZINC000575629389 1125258598 /nfs/dbraw/zinc/25/85/98/1125258598.db2.gz UXROSEIQDJZLIA-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO C[C@H]1CCC[C@H](C)[NH+]1CCCCOc1ccccc1C=O ZINC000217796253 230396723 /nfs/dbraw/zinc/39/67/23/230396723.db2.gz YUHRPNBHESYHBU-HOTGVXAUSA-N 1 0 289.419 3.921 40 0 CHABRO C#[N+]c1c(Br)cc(F)cc1Br ZINC000095698224 185018494 /nfs/dbraw/zinc/01/84/94/185018494.db2.gz NKVUKZMXDUUNSR-UHFFFAOYSA-N 1 0 278.906 3.901 40 0 CHABRO C[NH2+][C@@H](C)C[C@]12C[C@H]3C[C@H](C[C@](Br)(C3)C1)C2 ZINC000100262095 185710261 /nfs/dbraw/zinc/71/02/61/185710261.db2.gz TYGZLRGXVVMQMY-HPCHECBXSA-N 1 0 286.257 3.718 40 0 CHABRO CC(C)(C)OC(=O)n1cc(C(C)(C)C[NH3+])c2ccccc21 ZINC000091297536 180125183 /nfs/dbraw/zinc/12/51/83/180125183.db2.gz QKNNTRWRJFJHCT-UHFFFAOYSA-N 1 0 288.391 3.661 40 0 CHABRO CC[n+]1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000226773230 189778459 /nfs/dbraw/zinc/77/84/59/189778459.db2.gz IABJPKWDOCUCRG-UHFFFAOYSA-N 1 0 255.366 3.579 40 0 CHABRO c1cn2c(cccc2[C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257215963 190013483 /nfs/dbraw/zinc/01/34/83/190013483.db2.gz CSLJTBNOEUKIDP-CQSZACIVSA-N 1 0 283.400 3.733 40 0 CHABRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cc1 ZINC000257234329 190017173 /nfs/dbraw/zinc/01/71/73/190017173.db2.gz GTAGFRXLSYQFJS-QGZVFWFLSA-N 1 0 267.376 3.512 40 0 CHABRO Cc1ccsc1C[N@@H+]1CCCC[C@H]1c1ccncn1 ZINC000257253035 190020767 /nfs/dbraw/zinc/02/07/67/190020767.db2.gz JXIOJOIJGYNWRD-AWEZNQCLSA-N 1 0 273.405 3.574 40 0 CHABRO c1cc2ccc(C[N@@H+]3CCCC[C@@H]3c3ccncn3)cc2[nH]1 ZINC000257287094 190026871 /nfs/dbraw/zinc/02/68/71/190026871.db2.gz POMRNMLUINEGAE-GOSISDBHSA-N 1 0 292.386 3.685 40 0 CHABRO CC(C)[NH2+]C[C@@H](O)CC(c1ccccc1)c1ccccc1 ZINC000000000243 169502324 /nfs/dbraw/zinc/50/23/24/169502324.db2.gz DAIZVBCVNQSHLI-SFHVURJKSA-N 1 0 283.415 3.568 40 0 in-man CHABRO c1ccc(CN(CC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000001534 169503132 /nfs/dbraw/zinc/50/31/32/169503132.db2.gz MXHODDGKGSGCDI-UHFFFAOYSA-N 1 0 280.415 3.789 40 0 in-man CHABRO Fc1ccc2c(c1)C1(CN2)CC[NH+](Cc2ccccc2)CC1 ZINC000095631330 256745377 /nfs/dbraw/zinc/74/53/77/256745377.db2.gz KJLQHGCZOLCTGK-UHFFFAOYSA-N 1 0 296.389 3.785 40 0 CHABRO C[NH2+]CCC[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000001596762 169721817 /nfs/dbraw/zinc/72/18/17/169721817.db2.gz DVZMCGNRHJEGHP-NSHDSACASA-N 1 0 277.799 3.688 40 0 CHABRO CCc1ccc([C@@H](O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004934803 170042175 /nfs/dbraw/zinc/04/21/75/170042175.db2.gz VMSXDIVIIRJUEP-LNLFQRSKSA-N 1 0 287.447 3.795 40 0 CHABRO CCOc1ccc2c(c1)c(C)cc[n+]2Cc1ccccc1 ZINC000005466678 170102063 /nfs/dbraw/zinc/10/20/63/170102063.db2.gz UEZIKSQNEQXBOQ-UHFFFAOYSA-N 1 0 278.375 3.883 40 0 CHABRO Cc1ccc(C(=O)O[C@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC000005573055 170114988 /nfs/dbraw/zinc/11/49/88/170114988.db2.gz KYIJYDFEPPKQOH-GOSISDBHSA-N 1 0 297.398 3.845 40 0 CHABRO Cc1cc(C)[n+](-c2cccc3cccc(N)c32)c(C)c1 ZINC000005792754 170140679 /nfs/dbraw/zinc/14/06/79/170140679.db2.gz HFPMOIZFRVEINO-UHFFFAOYSA-N 1 0 263.364 3.624 40 0 CHABRO CC(C)c1ccc([C@@H](Cc2ccccc2)[NH2+]CCO)cc1 ZINC000005963399 170163296 /nfs/dbraw/zinc/16/32/96/170163296.db2.gz IITFQIXOUXZPGR-LJQANCHMSA-N 1 0 283.415 3.676 40 0 CHABRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C(C)C)cc1 ZINC000005962978 170163605 /nfs/dbraw/zinc/16/36/05/170163605.db2.gz ZHGBQLQLVBPUJF-GOSISDBHSA-N 1 0 269.388 3.977 40 0 CHABRO c1cc2c(s1)[C@H]1CCCC[C@H]1O[C@]21C[NH+]2CCC1CC2 ZINC000006668060 170224330 /nfs/dbraw/zinc/22/43/30/170224330.db2.gz YOTNJKHOKZAJDD-LXZKKBNFSA-N 1 0 289.444 3.725 40 0 CHABRO COc1ccc(CC[NH2+]C/C=C/c2ccccc2)cc1OC ZINC000008493557 170337993 /nfs/dbraw/zinc/33/79/93/170337993.db2.gz YHDICZKBOYKLRU-RMKNXTFCSA-N 1 0 297.398 3.549 40 0 CHABRO COc1ccc([C@H](C[NH+](C)C)C2=CCCCC2)cc1 ZINC000022055568 171351187 /nfs/dbraw/zinc/35/11/87/171351187.db2.gz OARSYJZOOXFPDU-QGZVFWFLSA-N 1 0 259.393 3.841 40 0 in-vitro CHABRO [NH3+]Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000022145026 171356340 /nfs/dbraw/zinc/35/63/40/171356340.db2.gz URAHAZXXXLKJGX-UHFFFAOYSA-N 1 0 276.339 3.551 40 0 CHABRO Cc1cc(C)c([C@@H](c2ccccc2)N2CC[NH2+]CC2)c(C)c1 ZINC000022793204 171398816 /nfs/dbraw/zinc/39/88/16/171398816.db2.gz FXZOPXCXLYXBPO-HXUWFJFHSA-N 1 0 294.442 3.606 40 0 CHABRO Clc1ccc(COC[C@H]2CCCC[NH2+]2)cc1Cl ZINC000028521937 171561528 /nfs/dbraw/zinc/56/15/28/171561528.db2.gz DPPWDCSDDCSVPZ-LLVKDONJSA-N 1 0 274.191 3.652 40 0 CHABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(N)cc2Br)C1 ZINC000037515908 173247319 /nfs/dbraw/zinc/24/73/19/173247319.db2.gz DYZRRTDXJJNUOE-QWRGUYRKSA-N 1 0 297.240 3.509 40 0 CHABRO CC[C@H](C)n1c2ccc(Cl)cc2nc1[C@@H](C)[NH3+] ZINC000040408270 174254198 /nfs/dbraw/zinc/25/41/98/174254198.db2.gz UTULRFIGBDTCCG-DTWKUNHWSA-N 1 0 251.761 3.680 40 0 CHABRO Cc1cccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072343726 176371968 /nfs/dbraw/zinc/37/19/68/176371968.db2.gz MQTGIXTUENESDK-HNNXBMFYSA-N 1 0 252.361 3.524 40 0 CHABRO C[N@@H+]1CCC[C@H](c2cnc(-c3ccccc3Cl)cn2)C1 ZINC000072382918 176388458 /nfs/dbraw/zinc/38/84/58/176388458.db2.gz HGACKBMYPPLRHE-LBPRGKRZSA-N 1 0 287.794 3.606 40 0 CHABRO Cc1nc(-c2ccccc2Cl)cc(C2CC[NH2+]CC2)n1 ZINC000072386800 176392100 /nfs/dbraw/zinc/39/21/00/176392100.db2.gz UKXVKRJSNGVXMY-UHFFFAOYSA-N 1 0 287.794 3.572 40 0 CHABRO CC[NH+](CC)Cc1c2cccnc2[nH]c1C(C)(C)C ZINC000072393628 176394373 /nfs/dbraw/zinc/39/43/73/176394373.db2.gz ILOKQRTVADOEIN-UHFFFAOYSA-N 1 0 259.397 3.702 40 0 CHABRO c1cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)co1 ZINC000096241729 265346104 /nfs/dbraw/zinc/34/61/04/265346104.db2.gz RBPNVQGIBSCDNU-UHFFFAOYSA-N 1 0 253.345 3.514 40 0 CHABRO CCC[C@H]([NH2+]Cc1cnc(NCC)nc1)c1ccccc1 ZINC000062717559 333175744 /nfs/dbraw/zinc/17/57/44/333175744.db2.gz OERWXDBLCLMWAV-INIZCTEOSA-N 1 0 284.407 3.539 40 0 CHABRO CCCC[NH2+]Cc1cccn1Cc1ccc(C)cc1 ZINC000223678849 520692989 /nfs/dbraw/zinc/69/29/89/520692989.db2.gz BYKDUNJKZFXBPT-UHFFFAOYSA-N 1 0 256.393 3.735 40 0 CHABRO C[NH2+]C[C@@H](OC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000062711716 522036198 /nfs/dbraw/zinc/03/61/98/522036198.db2.gz BDLZMVNVCWLPPD-GFCCVEGCSA-N 1 0 262.180 3.679 40 0 CHABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCOc1ccc(C=O)cc1 ZINC000217793803 533827555 /nfs/dbraw/zinc/82/75/55/533827555.db2.gz BIRFBPSQXSDJJD-IYBDPMFKSA-N 1 0 289.419 3.921 40 0 CHABRO CCNc1cc(N2CCc3ccccc3C2)nc(C(C)C)[nH+]1 ZINC000316249284 535522022 /nfs/dbraw/zinc/52/20/22/535522022.db2.gz RFXSHFXPLLUCEC-UHFFFAOYSA-N 1 0 296.418 3.595 40 0 CHABRO CCOP(=O)(OCC)C(F)(F)[C@@H]([NH3+])c1ccccc1 ZINC000095637458 567909393 /nfs/dbraw/zinc/90/93/93/567909393.db2.gz VOMXDASMZHCKAZ-NSHDSACASA-N 1 0 293.250 3.545 40 0 CHABRO Clc1cccc(Cl)c1COC[C@H]1CCC[NH2+]C1 ZINC000028521997 566946278 /nfs/dbraw/zinc/94/62/78/566946278.db2.gz SEHFRHBSVAZJOJ-JTQLQIEISA-N 1 0 274.191 3.510 40 0 CHABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cccc(F)c1 ZINC000012342211 567073397 /nfs/dbraw/zinc/07/33/97/567073397.db2.gz UBNHRPVZGCZIMM-IHRRRGAJSA-N 1 0 293.382 3.634 40 0 CHABRO C[C@H](C[NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000062718678 567109427 /nfs/dbraw/zinc/10/94/27/567109427.db2.gz QZZUCSHMYZKKSU-OAHLLOKOSA-N 1 0 293.414 3.889 40 0 CHABRO CCC(C(=O)CC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001593250 567839039 /nfs/dbraw/zinc/83/90/39/567839039.db2.gz XBBAATZGISSKRH-UHFFFAOYSA-N 1 0 295.426 3.904 40 0 CHABRO COc1cc2cccnc2c(NCCC[C@H]2CCCC[NH2+]2)c1 ZINC000001640909 567839939 /nfs/dbraw/zinc/83/99/39/567839939.db2.gz BMOWBCJBOOAZSL-OAHLLOKOSA-N 1 0 299.418 3.578 40 0 CHABRO CC[NH+](CC)CCNc1cc(Cl)cc2cccnc21 ZINC000001653198 567840380 /nfs/dbraw/zinc/84/03/80/567840380.db2.gz VDZUFVNIVVQEBG-UHFFFAOYSA-N 1 0 277.799 3.642 40 0 CHABRO CCCC[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001664841 567840436 /nfs/dbraw/zinc/84/04/36/567840436.db2.gz WPONIRRKFDYIEL-QZTJIDSGSA-N 1 0 269.388 3.851 40 0 CHABRO CCCC[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 ZINC000001667055 567840800 /nfs/dbraw/zinc/84/08/00/567840800.db2.gz OOKFNBJFELGWFO-OALUTQOASA-N 1 0 299.414 3.860 40 0 CHABRO CCC[C@@](C)(C(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000002042015 567844575 /nfs/dbraw/zinc/84/45/75/567844575.db2.gz GTOCZCPMZCJJJG-KRWDZBQOSA-N 1 0 259.393 3.914 40 0 CHABRO CC(C)[NH+](CCc1c[nH]c2cccc(O)c12)C(C)C ZINC000002539054 567847712 /nfs/dbraw/zinc/84/77/12/567847712.db2.gz KBRYKXCBGISXQV-UHFFFAOYSA-N 1 0 260.381 3.535 40 0 in-vitro CHABRO c1ccc2c(c1)c1ccccc1n2CC[NH+]1CCCC1 ZINC000004365795 567857053 /nfs/dbraw/zinc/85/70/53/567857053.db2.gz FDWNFNLLWQXCON-UHFFFAOYSA-N 1 0 264.372 3.890 40 0 CHABRO c1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019373868 567878245 /nfs/dbraw/zinc/87/82/45/567878245.db2.gz JKBWPCKVBNIZSK-FYQPLNBISA-N 1 0 297.442 3.895 40 0 CHABRO CCOC(=O)[C@@H](c1ccc2ccccc2c1)[C@H]1CCCC[NH2+]1 ZINC000606451961 567906038 /nfs/dbraw/zinc/90/60/38/567906038.db2.gz OTQVTBPHZRARTL-MSOLQXFVSA-N 1 0 297.398 3.629 40 0 CHABRO Cc1ccc(C[N@H+](Cc2sccc2C)C[C@H](C)O)s1 ZINC000013991518 567912223 /nfs/dbraw/zinc/91/22/23/567912223.db2.gz GZLALKNPGIAFGK-LBPRGKRZSA-N 1 0 295.473 3.809 40 0 CHABRO OC1(CC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000115324632 567916103 /nfs/dbraw/zinc/91/61/03/567916103.db2.gz VXKDQBUZSZGESV-UHFFFAOYSA-N 1 0 281.399 3.604 40 0 CHABRO CCOC(=O)C[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000072210305 567917470 /nfs/dbraw/zinc/91/74/70/567917470.db2.gz OSCYBWFDNQMSBS-OAHLLOKOSA-N 1 0 295.810 3.820 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211917 567917909 /nfs/dbraw/zinc/91/79/09/567917909.db2.gz FAXOELMBIDKOOE-OAHLLOKOSA-N 1 0 262.397 3.806 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)CC ZINC000072212800 567918099 /nfs/dbraw/zinc/91/80/99/567918099.db2.gz HBOBUTOYRPXWQG-MRXNPFEDSA-N 1 0 275.440 3.865 40 0 CHABRO CC(C)N(c1ccc(C2=[NH+]CCCC2)cn1)C(C)C ZINC000072212967 567918574 /nfs/dbraw/zinc/91/85/74/567918574.db2.gz DQVRBJAGJQOXNF-UHFFFAOYSA-N 1 0 259.397 3.678 40 0 CHABRO CCCCNc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213674 567918742 /nfs/dbraw/zinc/91/87/42/567918742.db2.gz MBMDAUZLYVOHAX-HNNXBMFYSA-N 1 0 261.413 3.841 40 0 CHABRO CCCCNc1ccc([C@H]2CCC[N@@H+]2CCC)cn1 ZINC000072213660 567918827 /nfs/dbraw/zinc/91/88/27/567918827.db2.gz UAKJSCXNTOCCEC-OAHLLOKOSA-N 1 0 261.413 3.841 40 0 CHABRO CCCCNc1ncccc1[C@@H]1CCC[N@@H+]1CCC ZINC000072213599 567918860 /nfs/dbraw/zinc/91/88/60/567918860.db2.gz KFHDIJORTGABBT-HNNXBMFYSA-N 1 0 261.413 3.841 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213919 567919294 /nfs/dbraw/zinc/91/92/94/567919294.db2.gz JEQSLBQJRUUSGE-INIZCTEOSA-N 1 0 273.424 3.981 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(Cl)nc1C ZINC000072217919 567920432 /nfs/dbraw/zinc/92/04/32/567920432.db2.gz LHNPETNSBCQQIC-ZDUSSCGKSA-N 1 0 252.789 3.980 40 0 CHABRO Cc1cc([C@@H]2CCCC[N@H+]2C(C)C)cnc1Cl ZINC000072217800 567920731 /nfs/dbraw/zinc/92/07/31/567920731.db2.gz WCVGWYCHPQAJLR-ZDUSSCGKSA-N 1 0 252.789 3.979 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(=S)[nH]c1C ZINC000072218385 567921064 /nfs/dbraw/zinc/92/10/64/567921064.db2.gz PLIIWULWBBMCPK-CYBMUJFWSA-N 1 0 250.411 3.616 40 0 CHABRO Cc1cc([C@@H]2CCCC[N@H+]2C(C)C)cnc1N1CCCC1 ZINC000072218820 567921577 /nfs/dbraw/zinc/92/15/77/567921577.db2.gz UEMCCGXZFJMUHD-KRWDZBQOSA-N 1 0 287.451 3.926 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218816 567921678 /nfs/dbraw/zinc/92/16/78/567921678.db2.gz GQWRDJAZQAGEKG-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCC[N@H+]1C ZINC000072219234 567921921 /nfs/dbraw/zinc/92/19/21/567921921.db2.gz QAIJQHZQPHXPMR-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO [NH3+][C@@H](c1ccccc1)c1ccc(NCc2ccccc2)nc1 ZINC000072225356 567922224 /nfs/dbraw/zinc/92/22/24/567922224.db2.gz UOROBKBCBIDAJN-IBGZPJMESA-N 1 0 289.382 3.742 40 0 CHABRO COc1cccc(OC)c1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072221438 567922354 /nfs/dbraw/zinc/92/23/54/567922354.db2.gz ONHLCMCKRGYGHY-CYBMUJFWSA-N 1 0 263.381 3.639 40 0 CHABRO Cc1cc(N2CCCCCC2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223535 567922576 /nfs/dbraw/zinc/92/25/76/567922576.db2.gz BOTWKVCGEBSPQX-IBGZPJMESA-N 1 0 295.430 3.819 40 0 CHABRO CCC(CC)[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000238180008 567928300 /nfs/dbraw/zinc/92/83/00/567928300.db2.gz ZLXWNJLYNFKZQV-HDJSIYSDSA-N 1 0 284.444 3.601 40 0 CHABRO CC[n+]1cccc(-c2nc3ccc(C)cc3s2)c1 ZINC000226773303 567929291 /nfs/dbraw/zinc/92/92/91/567929291.db2.gz LOWWKKROIOZTOD-UHFFFAOYSA-N 1 0 255.366 3.579 40 0 CHABRO Clc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000096311700 567944743 /nfs/dbraw/zinc/94/47/43/567944743.db2.gz GGUANBIVUSLFFU-FGWVZKOKSA-N 1 0 256.176 3.991 40 0 CHABRO C[NH2+]Cc1cc(C)n(Cc2ccc(Cl)cc2)c1C ZINC000223664424 567950244 /nfs/dbraw/zinc/95/02/44/567950244.db2.gz LOWAQTULSZDRMV-UHFFFAOYSA-N 1 0 262.784 3.526 40 0 CHABRO CC[NH2+]Cc1c2cc(O[C@H](C)CC)ccc2n(C)c1C ZINC000223764475 567950640 /nfs/dbraw/zinc/95/06/40/567950640.db2.gz NNJJGBLGCJGXSI-GFCCVEGCSA-N 1 0 274.408 3.774 40 0 CHABRO CCCOc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2C ZINC000223770048 567950805 /nfs/dbraw/zinc/95/08/05/567950805.db2.gz AFRBDRXYVQLWKC-UHFFFAOYSA-N 1 0 274.408 3.774 40 0 CHABRO CC[C@@H](C)Oc1ccc([C@@H](C)[NH2+]CCCOC)cc1 ZINC000225170036 567952740 /nfs/dbraw/zinc/95/27/40/567952740.db2.gz WOOPXKSILOWVOP-ZIAGYGMSSA-N 1 0 265.397 3.551 40 0 CHABRO CC(C)COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000225167720 567952754 /nfs/dbraw/zinc/95/27/54/567952754.db2.gz BDFLIQKTEPIHFU-RHSMWYFYSA-N 1 0 277.408 3.551 40 0 CHABRO CCCc1ccc(C[NH2+]Cc2ccccc2)n1CC ZINC000226020972 567955456 /nfs/dbraw/zinc/95/54/56/567955456.db2.gz RGKPRYLEYWYFIM-UHFFFAOYSA-N 1 0 256.393 3.750 40 0 CHABRO CC[C@@H]([NH2+]C)c1ccc(OCc2ccccc2)cc1 ZINC000034822532 570224090 /nfs/dbraw/zinc/22/40/90/570224090.db2.gz ALSAWHMYPQVBMQ-QGZVFWFLSA-N 1 0 255.361 3.936 40 0 CHABRO C[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219110 570237335 /nfs/dbraw/zinc/23/73/35/570237335.db2.gz PFAQPKYRXXXRNK-GJZGRUSLSA-N 1 0 291.435 3.575 40 0 CHABRO C=Cn1ccc2c1C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000013568933 570284746 /nfs/dbraw/zinc/28/47/46/570284746.db2.gz FAIWHDAYVNRBGS-WBVHZDCISA-N 1 0 264.372 3.850 40 0 CHABRO [NH3+]CCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000044397681 570328073 /nfs/dbraw/zinc/32/80/73/570328073.db2.gz ZWZBDVSSIJEUOR-UHFFFAOYSA-N 1 0 256.132 3.755 40 0 CHABRO C[NH+](C)Cc1cn(C[Si](C)(C)C)c2ccccc12 ZINC000195758635 1118241632 /nfs/dbraw/zinc/24/16/32/1118241632.db2.gz JMRJLQSBEGTDDO-UHFFFAOYSA-N 1 0 260.457 3.580 40 0 CHABRO CC(C)[NH+]1CCC(O)(c2ccc(C(C)(C)C)cc2)CC1 ZINC000053330529 1120157090 /nfs/dbraw/zinc/15/70/90/1120157090.db2.gz JYCZVDTYHYDKKN-UHFFFAOYSA-N 1 0 275.436 3.676 40 0 CHABRO CC[C@@H](C)Nc1nc(N[C@@H](C)CC)nc(N[C@@H](C)CC)[nH+]1 ZINC000255189170 1121697150 /nfs/dbraw/zinc/69/71/50/1121697150.db2.gz OEPDXZREYVLSAP-SDDRHHMPSA-N 1 0 294.447 3.503 40 0 CHABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@]21CC[NH2+]1 ZINC000306145940 1122992835 /nfs/dbraw/zinc/99/28/35/1122992835.db2.gz WRYQNGHIXJEBSC-QGZVFWFLSA-N 1 0 288.391 3.559 40 0 CHABRO CNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000329014412 136377568 /nfs/dbraw/zinc/37/75/68/136377568.db2.gz MWGDHZYXZNOWON-ZDUSSCGKSA-N 1 0 296.418 3.593 40 0 CHABRO Clc1cc(Cl)cc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000199783456 189683940 /nfs/dbraw/zinc/68/39/40/189683940.db2.gz NQVZGMFYNSNPBP-UHFFFAOYSA-N 1 0 298.173 3.510 40 0 CHABRO c1ccc(C(OC2CC3(C[NH2+]C3)C2)c2ccccc2)cc1 ZINC000217798398 189712545 /nfs/dbraw/zinc/71/25/45/189712545.db2.gz XRLPYINKRFVCCM-UHFFFAOYSA-N 1 0 279.383 3.545 40 0 CHABRO CCC[n+]1cccc(-c2nc3c(cccc3C)s2)c1 ZINC000226776657 189778186 /nfs/dbraw/zinc/77/81/86/189778186.db2.gz CJTLLIOFVQQISS-UHFFFAOYSA-N 1 0 269.393 3.969 40 0 CHABRO CC[C@H](C)Nc1nc(N[C@@H](C)CC)[nH+]c(N[C@@H](C)CC)n1 ZINC000255189171 189996773 /nfs/dbraw/zinc/99/67/73/189996773.db2.gz OEPDXZREYVLSAP-SRVKXCTJSA-N 1 0 294.447 3.503 40 0 CHABRO Cc1nn(C2CCCC2)cc1C[NH2+]CCc1ccccc1 ZINC000256052520 190004044 /nfs/dbraw/zinc/00/40/44/190004044.db2.gz NRDGTYQIYZAKMD-UHFFFAOYSA-N 1 0 283.419 3.639 40 0 CHABRO CCn1nccc1-c1cccc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257208082 190011972 /nfs/dbraw/zinc/01/19/72/190011972.db2.gz BKQTXTHFGSQESC-UHFFFAOYSA-N 1 0 298.434 3.553 40 0 CHABRO Cc1nccc([C@H]2CCCC[N@@H+]2Cc2cccs2)n1 ZINC000257229966 190015909 /nfs/dbraw/zinc/01/59/09/190015909.db2.gz GAECQUOEVIAMTA-OAHLLOKOSA-N 1 0 273.405 3.574 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218865 256707525 /nfs/dbraw/zinc/70/75/25/256707525.db2.gz LFEOMRUEHDPPEB-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO CC(C)N(c1ncccc1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000072213028 256713794 /nfs/dbraw/zinc/71/37/94/256713794.db2.gz WYPPABJRQGMXLY-HNNXBMFYSA-N 1 0 261.413 3.519 40 0 CHABRO Cc1ccc(C(=O)O[C@@H](C)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000003904899 169922970 /nfs/dbraw/zinc/92/29/70/169922970.db2.gz VMMIODCQIXEPNU-JYJNAYRXSA-N 1 0 289.419 3.803 40 0 CHABRO C[C@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000004119584 169935193 /nfs/dbraw/zinc/93/51/93/169935193.db2.gz GGCLDJYYOISOSI-WADNOCCSSA-N 1 0 281.399 3.705 40 0 CHABRO [NH3+]C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000004777892 170015306 /nfs/dbraw/zinc/01/53/06/170015306.db2.gz BAFVNIPRLVNQKZ-UHFFFAOYSA-N 1 0 257.336 3.918 40 0 CHABRO Cc1cc2ccccc2nc1SCC[NH+]1CCCC1 ZINC000004858628 170031605 /nfs/dbraw/zinc/03/16/05/170031605.db2.gz GNSKSDORBKQBTM-UHFFFAOYSA-N 1 0 272.417 3.731 40 0 CHABRO O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(F)cc1 ZINC000004934815 170042082 /nfs/dbraw/zinc/04/20/82/170042082.db2.gz IBZZHWLMRZEEDI-KBPBESRZSA-N 1 0 275.367 3.521 40 0 CHABRO C[n+]1ccc(C(c2ccccc2)c2ccccc2)cc1 ZINC000005368285 170089902 /nfs/dbraw/zinc/08/99/02/170089902.db2.gz NDSMQSRUPIPYPN-UHFFFAOYSA-N 1 0 260.360 3.691 40 0 CHABRO CCC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000006430948 170200994 /nfs/dbraw/zinc/20/09/94/170200994.db2.gz PSIDEGDAIXEQTM-UHFFFAOYSA-N 1 0 261.390 3.827 40 0 CHABRO CC[C@@H](C)Cn1c2ccccc2nc1C[NH+]1CCCC1 ZINC000015922132 170681535 /nfs/dbraw/zinc/68/15/35/170681535.db2.gz WAGHTVDCPIAPRI-CQSZACIVSA-N 1 0 271.408 3.678 40 0 CHABRO [NH3+]CCc1c2ccccc2[nH]c1-c1cnc2ccccc2c1 ZINC000035572224 172268475 /nfs/dbraw/zinc/26/84/75/172268475.db2.gz XFBWSFWILSJJNO-UHFFFAOYSA-N 1 0 287.366 3.884 40 0 CHABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N)cc2Br)C1 ZINC000037515907 173247723 /nfs/dbraw/zinc/24/77/23/173247723.db2.gz DYZRRTDXJJNUOE-PHIMTYICSA-N 1 0 297.240 3.509 40 0 CHABRO FC(F)(F)c1ccc([C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000038539305 174145625 /nfs/dbraw/zinc/14/56/25/174145625.db2.gz XYAGCMWYHMVCIG-MRVPVSSYSA-N 1 0 263.690 3.826 40 0 CHABRO Cc1ccc2nc(-c3ccc(C[NH3+])cc3)sc2c1 ZINC000045923359 175386858 /nfs/dbraw/zinc/38/68/58/175386858.db2.gz ZOTSXVVZSWUPJY-UHFFFAOYSA-N 1 0 254.358 3.730 40 0 CHABRO c1ccc(-c2nccc([C@H]3CCC[N@H+]3C3CCCC3)n2)nc1 ZINC000072355771 176374855 /nfs/dbraw/zinc/37/48/55/176374855.db2.gz XMFFXODOEACNGB-QGZVFWFLSA-N 1 0 294.402 3.618 40 0 CHABRO Cc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3C)n2)cc1 ZINC000072357509 176376264 /nfs/dbraw/zinc/37/62/64/176376264.db2.gz NTRRQRSESHIGMA-SFHVURJKSA-N 1 0 266.388 3.748 40 0 CHABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2c3cccnc3[nH]c2C2CC2)C1 ZINC000072393360 176394479 /nfs/dbraw/zinc/39/44/79/176394479.db2.gz XDHNHUSEJYPHFQ-CHWSQXEVSA-N 1 0 283.419 3.918 40 0 CHABRO c1ccc([C@@H]2C[N@@H+](C[C@H]3CCOC3)CC23CCCC3)cc1 ZINC000247973515 334292660 /nfs/dbraw/zinc/29/26/60/334292660.db2.gz UDZOJCHIZIODME-AEFFLSMTSA-N 1 0 285.431 3.683 40 0 CHABRO Cc1cc(C=C2Sc3ccccc3N2C)cc(C)[o+]1 ZINC000004750681 528096019 /nfs/dbraw/zinc/09/60/19/528096019.db2.gz YFVRWYRQLXSZLE-UHFFFAOYSA-N 1 0 270.377 3.947 40 0 CHABRO CCCCCC[C@@H](CN1CCCC1)[NH+]1CCCC1 ZINC000043752071 567906470 /nfs/dbraw/zinc/90/64/70/567906470.db2.gz BPPURDXHUMCGDJ-INIZCTEOSA-N 1 0 252.446 3.517 40 0 CHABRO Cc1cc(=S)[nH]cc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072218340 567921051 /nfs/dbraw/zinc/92/10/51/567921051.db2.gz KHBBNNUVICZPPS-ZDUSSCGKSA-N 1 0 250.411 3.614 40 0 CHABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000049169072 560085051 /nfs/dbraw/zinc/08/50/51/560085051.db2.gz MPFBGHNPXABGSM-INIZCTEOSA-N 1 0 291.398 3.861 40 0 biogenic,in-vitro CHABRO [NH3+][C@@H]1C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000070453059 567118971 /nfs/dbraw/zinc/11/89/71/567118971.db2.gz GWTLKBGRQVGFTJ-GHMZBOCLSA-N 1 0 267.250 3.780 40 0 CHABRO [NH3+][C@@H]1CCCc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c21 ZINC000096511237 567143767 /nfs/dbraw/zinc/14/37/67/567143767.db2.gz MUIJHMWLYQFTOW-SNVBAGLBSA-N 1 0 282.174 3.720 40 0 CHABRO C/C(=C\c1ccccc1)CN1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712163 567123779 /nfs/dbraw/zinc/12/37/79/567123779.db2.gz XTMHTUFIEHTWHS-VPFHTWTBSA-N 1 0 284.447 3.696 40 0 CHABRO O=C1CCC[C@@H]1[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000217464571 567170361 /nfs/dbraw/zinc/17/03/61/567170361.db2.gz OMWBVERYXPTJQI-IAGOWNOFSA-N 1 0 271.404 3.800 40 0 CHABRO Cc1cc2cc(C[NH2+][C@H]3CCCC[C@H]3C)c(=O)[nH]c2cc1C ZINC000004130519 567190437 /nfs/dbraw/zinc/19/04/37/567190437.db2.gz ZVFAZZPOEXSAFE-PXAZEXFGSA-N 1 0 298.430 3.813 40 0 CHABRO CCOc1cc(C[NH2+]C(C)C)ccc1O[C@@H](C)CC ZINC000034815849 567827863 /nfs/dbraw/zinc/82/78/63/567827863.db2.gz VQHCHFLEDUTIFL-ZDUSSCGKSA-N 1 0 265.397 3.761 40 0 CHABRO C[NH+](C)CCCN1c2ccccc2Sc2cnccc21 ZINC000001579079 567838260 /nfs/dbraw/zinc/83/82/60/567838260.db2.gz PKUROYWZWHYCHD-UHFFFAOYSA-N 1 0 285.416 3.636 40 0 in-vitro CHABRO CC1CC[NH+](CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000001598703 567839102 /nfs/dbraw/zinc/83/91/02/567839102.db2.gz KLCBGXAILJWLMK-UHFFFAOYSA-N 1 0 265.784 3.645 40 0 CHABRO CC[NH+](CC)CC[C@@H](C)[C@H](Cc1cccs1)OC(C)=O ZINC000001671239 567841096 /nfs/dbraw/zinc/84/10/96/567841096.db2.gz YBCGCYGNOGTANZ-CJNGLKHVSA-N 1 0 297.464 3.590 40 0 CHABRO C[NH+](C)C(C)(C)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001700036 567841783 /nfs/dbraw/zinc/84/17/83/567841783.db2.gz DTIKEEZPIDWSHF-WOSRLPQWSA-N 1 0 253.430 3.558 40 0 CHABRO O[C@](C[C@@H]1CCCC[NH2+]1)(c1ccccc1)C1CCCCC1 ZINC000001843168 567843596 /nfs/dbraw/zinc/84/35/96/567843596.db2.gz QUAWNUHPVGFJPP-RBUKOAKNSA-N 1 0 287.447 3.987 40 0 CHABRO O[C@@](C[C@H]1CCCC[NH2+]1)(c1ccccc1)C1CCCCC1 ZINC000001843162 567843640 /nfs/dbraw/zinc/84/36/40/567843640.db2.gz QUAWNUHPVGFJPP-MOPGFXCFSA-N 1 0 287.447 3.987 40 0 CHABRO C[C@@H]1C[C@@]2(C[C@H](C)[N@@H+](C)C[C@@H]2C)Nc2ccccc21 ZINC000004006407 567854487 /nfs/dbraw/zinc/85/44/87/567854487.db2.gz DSXWYDFCIRWJDM-FHIRATQRSA-N 1 0 258.409 3.705 40 0 CHABRO S=c1oc(-c2ccccc2Cl)nn1CN1CCCC1 ZINC000004523495 567857894 /nfs/dbraw/zinc/85/78/94/567857894.db2.gz YMFUCCQWAZIRBL-UHFFFAOYSA-N 1 0 295.795 3.579 40 0 CHABRO C[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000014193893 567868741 /nfs/dbraw/zinc/86/87/41/567868741.db2.gz UHXYFARSBSNTGR-NSHDSACASA-N 1 0 268.198 3.824 40 0 CHABRO Cn1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000019290610 567877268 /nfs/dbraw/zinc/87/72/68/567877268.db2.gz BGTJHTQBINLWMA-KRWDZBQOSA-N 1 0 287.382 3.677 40 0 CHABRO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)c1 ZINC000019291085 567877330 /nfs/dbraw/zinc/87/73/30/567877330.db2.gz JURGOJFFOBXUHM-SFHVURJKSA-N 1 0 299.418 3.546 40 0 CHABRO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccc(O)c2)on1 ZINC000019120300 567877406 /nfs/dbraw/zinc/87/74/06/567877406.db2.gz OHKURPHHXFBYEC-MRXNPFEDSA-N 1 0 286.375 3.806 40 0 CHABRO C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)C1 ZINC000019496569 567878011 /nfs/dbraw/zinc/87/80/11/567878011.db2.gz VDPLXOGYOJQZNK-XJKSGUPXSA-N 1 0 299.418 3.646 40 0 CHABRO c1c2cccnc2[nH]c1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000019372000 567878124 /nfs/dbraw/zinc/87/81/24/567878124.db2.gz OGHBOGBOSGIMDF-KRWDZBQOSA-N 1 0 277.371 3.900 40 0 CHABRO CC(C)(O)[C@@]1(C)c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000019848039 567879010 /nfs/dbraw/zinc/87/90/10/567879010.db2.gz UOGRJJMJWDCFCP-HXUWFJFHSA-N 1 0 295.426 3.731 40 0 CHABRO C1=C[C@H]2C[C@@H]1C[C@H]2CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019790111 567879201 /nfs/dbraw/zinc/87/92/01/567879201.db2.gz XCBFRNWRTZBQAU-SQNIBIBYSA-N 1 0 288.479 3.539 40 0 CHABRO CCC[N@H+]1CC=C(c2nc3ccc(C)cc3o2)CC1 ZINC000073636323 567893291 /nfs/dbraw/zinc/89/32/91/567893291.db2.gz URWAPWUGZDRXPR-UHFFFAOYSA-N 1 0 256.349 3.635 40 0 CHABRO CC[N@H+]1CC=C(c2nc3ccc(C)cc3s2)CC1 ZINC000073638457 567893590 /nfs/dbraw/zinc/89/35/90/567893590.db2.gz GNRSGMWCHRKVBR-UHFFFAOYSA-N 1 0 258.390 3.714 40 0 CHABRO C[C@@H]1CCC[C@H](C)N1CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000114718901 567910275 /nfs/dbraw/zinc/91/02/75/567910275.db2.gz RVIVTMWGPRUAIG-YHUYYLMFSA-N 1 0 252.446 3.512 40 0 CHABRO C[C@]1(C[NH+]2CCCCC2)OCc2ccccc2-n2cccc21 ZINC000098174885 567911600 /nfs/dbraw/zinc/91/16/00/567911600.db2.gz UFDDQJVAUAWCHY-LJQANCHMSA-N 1 0 296.414 3.709 40 0 CHABRO CCOC(=O)C[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000072210312 567917536 /nfs/dbraw/zinc/91/75/36/567917536.db2.gz ZRDZFHHCAQVINN-HNNXBMFYSA-N 1 0 295.810 3.820 40 0 CHABRO CCOC(=O)C[C@@H](c1cccc(Cl)c1)[NH+](CC)CC ZINC000072210300 567917722 /nfs/dbraw/zinc/91/77/22/567917722.db2.gz DGDZCGBZISARCE-AWEZNQCLSA-N 1 0 283.799 3.676 40 0 CHABRO Cc1cccnc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211122 567917784 /nfs/dbraw/zinc/91/77/84/567917784.db2.gz ASHBIZXTLZJOPU-MRXNPFEDSA-N 1 0 252.361 3.727 40 0 CHABRO CC(C)Oc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072211920 567917789 /nfs/dbraw/zinc/91/77/89/567917789.db2.gz QIFGOQMSGVUKPP-HNNXBMFYSA-N 1 0 262.397 3.804 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(NCC)nc1 ZINC000072213098 567918587 /nfs/dbraw/zinc/91/85/87/567918587.db2.gz LENUPCVIHYELCI-OAHLLOKOSA-N 1 0 261.413 3.841 40 0 CHABRO c1ccc(Oc2ncccc2[C@@H]2CCCC[NH2+]2)cc1 ZINC000072212211 567918643 /nfs/dbraw/zinc/91/86/43/567918643.db2.gz XLBLZEAWCCWOOE-HNNXBMFYSA-N 1 0 254.333 3.689 40 0 CHABRO CC[C@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213534 567919000 /nfs/dbraw/zinc/91/90/00/567919000.db2.gz ZRONWPSXWANAID-ZFWWWQNUSA-N 1 0 261.413 3.839 40 0 CHABRO CC[C@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072213424 567919040 /nfs/dbraw/zinc/91/90/40/567919040.db2.gz XBZOOGRKJNEXNL-DZGCQCFKSA-N 1 0 261.413 3.839 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213917 567919086 /nfs/dbraw/zinc/91/90/86/567919086.db2.gz WIIPSPUJVRHJEB-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N[C@@H](C)CC ZINC000072213396 567919147 /nfs/dbraw/zinc/91/91/47/567919147.db2.gz NORPIJXUDNAOFT-ZFWWWQNUSA-N 1 0 261.413 3.839 40 0 CHABRO Cc1cc(Cl)ncc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072217843 567920346 /nfs/dbraw/zinc/92/03/46/567920346.db2.gz QAXQVDCTZOAMSO-ZDUSSCGKSA-N 1 0 252.789 3.836 40 0 CHABRO CC(C)Sc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072217556 567920416 /nfs/dbraw/zinc/92/04/16/567920416.db2.gz FNIBCIMPRIXSHM-CYBMUJFWSA-N 1 0 250.411 3.739 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215928 567920729 /nfs/dbraw/zinc/92/07/29/567920729.db2.gz QUDITTSCFOGEQE-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO CC(C)Sc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072217555 567920787 /nfs/dbraw/zinc/92/07/87/567920787.db2.gz FNIBCIMPRIXSHM-ZDUSSCGKSA-N 1 0 250.411 3.739 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc[nH]c1=S ZINC000072217084 567921345 /nfs/dbraw/zinc/92/13/45/567921345.db2.gz PHCRMJZSMGPPHB-ZDUSSCGKSA-N 1 0 250.411 3.553 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(NC)c(C)c1 ZINC000072219005 567921608 /nfs/dbraw/zinc/92/16/08/567921608.db2.gz BWNHDBCHFGQOGQ-HNNXBMFYSA-N 1 0 261.413 3.759 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218645 567921655 /nfs/dbraw/zinc/92/16/55/567921655.db2.gz GZMAHCLHTLWKCQ-INIZCTEOSA-N 1 0 275.440 3.783 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218765 567921801 /nfs/dbraw/zinc/92/18/01/567921801.db2.gz CZBAUVHJUSIXJW-INIZCTEOSA-N 1 0 275.440 3.783 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1c(OC)cccc1OC ZINC000072221436 567921865 /nfs/dbraw/zinc/92/18/65/567921865.db2.gz YFXGOEPGTDXKKS-CYBMUJFWSA-N 1 0 263.381 3.641 40 0 CHABRO CC[C@H]([NH3+])c1cnc(Sc2ccccc2)cc1C ZINC000072223188 567922106 /nfs/dbraw/zinc/92/21/06/567922106.db2.gz PIJLTQXFNZPZDW-AWEZNQCLSA-N 1 0 258.390 3.951 40 0 CHABRO Cc1nc(NC(C)(C)C)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072225023 567922555 /nfs/dbraw/zinc/92/25/55/567922555.db2.gz ZSYPNXJCFCAXMO-INIZCTEOSA-N 1 0 269.392 3.649 40 0 CHABRO CC[C@H]([NH3+])c1ccc(N2CCCc3ccccc32)nc1 ZINC000072225793 567922579 /nfs/dbraw/zinc/92/25/79/567922579.db2.gz MUVHYIHFVZNVMO-HNNXBMFYSA-N 1 0 267.376 3.576 40 0 CHABRO CC[C@@H]([NH3+])c1ccc(SC2CCCCC2)nc1 ZINC000072225728 567922749 /nfs/dbraw/zinc/92/27/49/567922749.db2.gz ZLHOQDYKWPOVAX-CYBMUJFWSA-N 1 0 250.411 3.916 40 0 CHABRO [NH3+]Cc1ccc(C(F)(F)F)nc1C1CCCCC1 ZINC000146182115 567928753 /nfs/dbraw/zinc/92/87/53/567928753.db2.gz ADUYOIGUFGURMR-UHFFFAOYSA-N 1 0 258.287 3.607 40 0 CHABRO CC[n+]1ccc(-c2nc3c(cccc3C)s2)cc1 ZINC000226776533 567929280 /nfs/dbraw/zinc/92/92/80/567929280.db2.gz TWABEZUXJDHMSL-UHFFFAOYSA-N 1 0 255.366 3.579 40 0 CHABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000070453166 567930711 /nfs/dbraw/zinc/93/07/11/567930711.db2.gz HSFKHCXRMWCJII-DTWKUNHWSA-N 1 0 263.690 3.682 40 0 CHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+][C@H]3CCCC[C@@H]3C)cc2c1 ZINC000004130496 567932462 /nfs/dbraw/zinc/93/24/62/567932462.db2.gz MOVBEKVSGZJPOK-GUYCJALGSA-N 1 0 298.430 3.813 40 0 CHABRO CCCCCC[C@H](C)[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000001731830 567937472 /nfs/dbraw/zinc/93/74/72/567937472.db2.gz VEOSVJOBGXMFHF-DLBZAZTESA-N 1 0 293.451 3.683 40 0 CHABRO CCCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010434252 567939723 /nfs/dbraw/zinc/93/97/23/567939723.db2.gz RHFZRIIZHNRWFG-UHFFFAOYSA-N 1 0 288.435 3.593 40 0 CHABRO c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000004315323 567944177 /nfs/dbraw/zinc/94/41/77/567944177.db2.gz MKYUXEIGGMADKP-INIZCTEOSA-N 1 0 291.398 3.943 40 0 CHABRO Fc1ccccc1CC[NH2+]Cc1c(F)cccc1Cl ZINC000016449517 567944412 /nfs/dbraw/zinc/94/44/12/567944412.db2.gz FTWBPHCZFFLUQM-UHFFFAOYSA-N 1 0 281.733 3.951 40 0 CHABRO CCC[NH2+]Cc1cccn1-c1cccc(Cl)c1C ZINC000223685463 567950380 /nfs/dbraw/zinc/95/03/80/567950380.db2.gz KROHGINHUUCKIN-UHFFFAOYSA-N 1 0 262.784 3.939 40 0 CHABRO CC(C)C[NH2+]Cc1cccn1[C@H](C)c1ccccc1 ZINC000223691374 567950393 /nfs/dbraw/zinc/95/03/93/567950393.db2.gz SWRKHMPTAMQWBC-OAHLLOKOSA-N 1 0 256.393 3.843 40 0 CHABRO CCC[NH2+]Cc1c2cc(OC(C)C)ccc2n(C)c1C ZINC000223766512 567950527 /nfs/dbraw/zinc/95/05/27/567950527.db2.gz FDOFWJDQYCTLKL-UHFFFAOYSA-N 1 0 274.408 3.774 40 0 CHABRO CCCCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000225162096 567952183 /nfs/dbraw/zinc/95/21/83/567952183.db2.gz HIVCPSLTVHCDSA-HUUCEWRRSA-N 1 0 277.408 3.695 40 0 CHABRO CC[C@H](C)Oc1ccccc1[C@H](C)[NH2+]CCCOC ZINC000225161763 567952193 /nfs/dbraw/zinc/95/21/93/567952193.db2.gz RVPYOISYUKKLEQ-KBPBESRZSA-N 1 0 265.397 3.551 40 0 CHABRO Cc1ccc(Oc2ccc(F)cc2OCC[NH+](C)C)cc1 ZINC000585265260 1118910136 /nfs/dbraw/zinc/91/01/36/1118910136.db2.gz KZQVVBITURSEFW-UHFFFAOYSA-N 1 0 289.350 3.867 40 0 CHABRO CC[C@H](C)Oc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000260571627 1120413342 /nfs/dbraw/zinc/41/33/42/1120413342.db2.gz AEGZFYICSOOIQG-SOUVJXGZSA-N 1 0 277.408 3.694 40 0 CHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCCOc2cccc(C=O)c2)C1 ZINC000217795307 230396730 /nfs/dbraw/zinc/39/67/30/230396730.db2.gz PGVUUDCCVVLVQM-HZPDHXFCSA-N 1 0 289.419 3.636 40 0 CHABRO C[C@H]1C[C@H](C)C[NH+](CCCCOc2cccc(C=O)c2)C1 ZINC000217795431 230396773 /nfs/dbraw/zinc/39/67/73/230396773.db2.gz PGVUUDCCVVLVQM-HOTGVXAUSA-N 1 0 289.419 3.636 40 0 CHABRO CNc1ccc(C(=[NH2+])c2ccc(NC)c(C)c2)cc1C ZINC000095857877 185029343 /nfs/dbraw/zinc/02/93/43/185029343.db2.gz FTZOMWRBGAUFMT-UHFFFAOYSA-N 1 0 267.376 3.803 40 0 CHABRO COCCC[NH2+][C@@H](C)c1ccccc1OC1CCCC1 ZINC000225161460 189744567 /nfs/dbraw/zinc/74/45/67/189744567.db2.gz WSUXAZJPGICAPM-AWEZNQCLSA-N 1 0 277.408 3.695 40 0 CHABRO CC[C@@H](C)Oc1cccc([C@@H](C)[NH2+]CCCOC)c1 ZINC000225166959 189745169 /nfs/dbraw/zinc/74/51/69/189745169.db2.gz BSSLLKWLYFGZDA-ZIAGYGMSSA-N 1 0 265.397 3.551 40 0 CHABRO c1cn2c(cccc2[C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257215962 190013395 /nfs/dbraw/zinc/01/33/95/190013395.db2.gz CSLJTBNOEUKIDP-AWEZNQCLSA-N 1 0 283.400 3.733 40 0 CHABRO CCn1nccc1-c1cccc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257322165 190033762 /nfs/dbraw/zinc/03/37/62/190033762.db2.gz WEVDAJZBOIQPKK-INIZCTEOSA-N 1 0 284.407 3.510 40 0 CHABRO C[n+]1ccc(/C=C/c2ccccc2O)c2ccccc21 ZINC000000206143 169574293 /nfs/dbraw/zinc/57/42/93/169574293.db2.gz SPUYYCFQLHACCM-UHFFFAOYSA-O 1 0 262.332 3.540 40 0 CHABRO CC[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000066116158 184570830 /nfs/dbraw/zinc/57/08/30/184570830.db2.gz FYSYRBSXBBTMKZ-OLZOCXBDSA-N 1 0 265.397 3.761 40 0 CHABRO Cc1cc(N2CCCC2)ncc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072218863 256707543 /nfs/dbraw/zinc/70/75/43/256707543.db2.gz ZNMFYJYTCDZHIA-KRWDZBQOSA-N 1 0 287.451 3.783 40 0 CHABRO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1N ZINC000095097490 184943233 /nfs/dbraw/zinc/94/32/33/184943233.db2.gz BJQNTSVVPCXJNU-ZDUSSCGKSA-N 1 0 279.387 3.643 40 0 CHABRO c1c(-c2ccccc2)n(Cc2ccccc2)c2cccc[n+]12 ZINC000001609533 169724401 /nfs/dbraw/zinc/72/44/01/169724401.db2.gz USBOPVSBCQQNIW-UHFFFAOYSA-N 1 0 285.370 3.942 40 0 CHABRO C[C@H]([C@@H](O)c1cc2c(c3ccccc31)CCCC2)[NH+](C)C ZINC000001706357 169746347 /nfs/dbraw/zinc/74/63/47/169746347.db2.gz SDPZTOYYDSQEQV-BFUOFWGJSA-N 1 0 283.415 3.702 40 0 CHABRO c1ccc(C[C@H]2CCC[C@H](Cc3ccccc3)[NH2+]2)cc1 ZINC000001747057 169754161 /nfs/dbraw/zinc/75/41/61/169754161.db2.gz VFXVLYPQEFIYDB-RTBURBONSA-N 1 0 265.400 3.983 40 0 CHABRO C[NH+](C)CC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000005043963 170060279 /nfs/dbraw/zinc/06/02/79/170060279.db2.gz SGTNXLHDNKZGCR-BANKROOTSA-N 1 0 297.442 3.655 40 0 CHABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000005996304 170166023 /nfs/dbraw/zinc/16/60/23/170166023.db2.gz OUOZFQBUTZCNFE-UHFFFAOYSA-N 1 0 298.361 3.674 40 0 CHABRO CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000006430963 170200914 /nfs/dbraw/zinc/20/09/14/170200914.db2.gz URODAILTZRPXLF-UHFFFAOYSA-N 1 0 255.361 3.765 40 0 CHABRO [NH3+][C@H](Cc1ccccc1)c1cccc2c1CCCC2 ZINC000006580779 170215353 /nfs/dbraw/zinc/21/53/53/170215353.db2.gz KIYWAEQRGIWVLV-GOSISDBHSA-N 1 0 251.373 3.808 40 0 CHABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OC ZINC000008326650 170331253 /nfs/dbraw/zinc/33/12/53/170331253.db2.gz BBWKFIRFVCUASK-JTQLQIEISA-N 1 0 271.788 3.635 40 0 CHABRO COc1ccc(C[NH2+]C2CCCCCC2)cc1OC ZINC000008493707 170338096 /nfs/dbraw/zinc/33/80/96/170338096.db2.gz LHKBYBKHBZAQOR-UHFFFAOYSA-N 1 0 263.381 3.516 40 0 CHABRO CCOc1ccc(/[NH+]=c2\ccn3ccccc3c2)cc1 ZINC000017121700 170725783 /nfs/dbraw/zinc/72/57/83/170725783.db2.gz OPFQXKLFMQIVPQ-OBGWFSINSA-N 1 0 264.328 3.570 40 0 CHABRO CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000022015198 171349680 /nfs/dbraw/zinc/34/96/80/171349680.db2.gz MCNCIBIOWUZPQL-AWEZNQCLSA-N 1 0 276.380 3.848 40 0 CHABRO C(=C\c1ccccc1)\CNCC[NH2+]C/C=C\c1ccccc1 ZINC000022580492 171392742 /nfs/dbraw/zinc/39/27/42/171392742.db2.gz OCPXRFLUCJRFJO-PVRNWPCDSA-N 1 0 292.426 3.592 40 0 CHABRO Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4cccs4)C3)nc2c1 ZINC000035446570 172202890 /nfs/dbraw/zinc/20/28/90/172202890.db2.gz ISJFNOURGWKQRY-ZDUSSCGKSA-N 1 0 297.427 3.922 40 0 biogenic,in-vitro CHABRO CC1CCN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)CC1 ZINC000039034757 174161764 /nfs/dbraw/zinc/16/17/64/174161764.db2.gz IEPJOPKFBLKRGT-ZDUSSCGKSA-N 1 0 287.234 3.725 40 0 CHABRO c1ccc(C(OC[C@H]2CCCC[NH2+]2)c2ccccc2)cc1 ZINC000071256393 176095567 /nfs/dbraw/zinc/09/55/67/176095567.db2.gz ADYVVJDGFHEUSH-GOSISDBHSA-N 1 0 281.399 3.935 40 0 CHABRO Cc1ccccc1Cc1cccc(C2CC[NH+](C)CC2)n1 ZINC000072348566 176373447 /nfs/dbraw/zinc/37/34/47/176373447.db2.gz CUDKZPWLNYHZDV-UHFFFAOYSA-N 1 0 280.415 3.790 40 0 CHABRO CC(C)[N@@H+]1CCC[C@H](Cc2cccc(Br)n2)C1 ZINC000072363351 176377806 /nfs/dbraw/zinc/37/78/06/176377806.db2.gz PVZVDGJSUZKDBO-GFCCVEGCSA-N 1 0 297.240 3.507 40 0 CHABRO Cc1nccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000072379991 176387364 /nfs/dbraw/zinc/38/73/64/176387364.db2.gz LXPAICJYVKKCAB-KRWDZBQOSA-N 1 0 267.376 3.512 40 0 CHABRO c1cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)co1 ZINC000096241706 265345999 /nfs/dbraw/zinc/34/59/99/265345999.db2.gz ZWXHFSPQAZPQFD-UHFFFAOYSA-N 1 0 253.345 3.514 40 0 CHABRO Cc1cc(Cl)ncc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072217861 567920746 /nfs/dbraw/zinc/92/07/46/567920746.db2.gz UXNLOLANLPYEGF-CYBMUJFWSA-N 1 0 252.789 3.979 40 0 CHABRO c1ccc2[nH]c([C@H]3CC[N@@H+](CC4CCCCC4)C3)nc2c1 ZINC000049169039 560085064 /nfs/dbraw/zinc/08/50/64/560085064.db2.gz KBWVCFNQVLGZHK-HNNXBMFYSA-N 1 0 283.419 3.933 40 0 biogenic,in-vitro CHABRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccccc2)cc1N ZINC000218282713 566844029 /nfs/dbraw/zinc/84/40/29/566844029.db2.gz SAWXNWQDVIAHPH-AWEZNQCLSA-N 1 0 254.377 3.770 40 0 CHABRO CC(C)(C)OC(=O)N1CCCC[C@H]1CC[C@@H]1CCCC[NH2+]1 ZINC000211626002 566884327 /nfs/dbraw/zinc/88/43/27/566884327.db2.gz RMFTVQFBERWPGY-GJZGRUSLSA-N 1 0 296.455 3.698 40 0 CHABRO C[N@H+]1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000226250034 567038946 /nfs/dbraw/zinc/03/89/46/567038946.db2.gz UPMZAIOVWKZQMW-UHFFFAOYSA-N 1 0 283.158 3.854 40 0 CHABRO CCCC[N@H+]1CC=C(c2nc3ccccc3o2)CC1 ZINC000226250859 567039418 /nfs/dbraw/zinc/03/94/18/567039418.db2.gz XFBCANVVRYQSMB-UHFFFAOYSA-N 1 0 256.349 3.717 40 0 CHABRO C[NH2+][C@H](C)CCc1ccc(OCc2ccccc2)cc1 ZINC000034821316 567043815 /nfs/dbraw/zinc/04/38/15/567043815.db2.gz OOVZKECGVZRDCQ-OAHLLOKOSA-N 1 0 269.388 3.806 40 0 CHABRO O[C@H](CC[NH+]1CC2CCC(CC2)C1)c1ccc(Cl)cc1 ZINC000001615840 567839232 /nfs/dbraw/zinc/83/92/32/567839232.db2.gz HOFIIDWONAPDKX-MQBCKMQZSA-N 1 0 293.838 3.886 40 0 CHABRO CC(C)[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000001706241 567842064 /nfs/dbraw/zinc/84/20/64/567842064.db2.gz XSEQDLPSDCETSK-UHFFFAOYSA-N 1 0 277.799 3.688 40 0 CHABRO c1ccc(C[C@H]2CCC[C@@H](Cc3ccccc3)[NH2+]2)cc1 ZINC000001747054 567843231 /nfs/dbraw/zinc/84/32/31/567843231.db2.gz VFXVLYPQEFIYDB-KDURUIRLSA-N 1 0 265.400 3.983 40 0 CHABRO COc1ccc(-c2cc([C@H]3CCCCC[NH2+]3)on2)cc1 ZINC000012133670 567862321 /nfs/dbraw/zinc/86/23/21/567862321.db2.gz ISCDBWHLZWAWPF-CQSZACIVSA-N 1 0 272.348 3.555 40 0 CHABRO CC(C)(Cc1ccc(F)cc1)[NH2+]Cc1ccccc1 ZINC000019795292 567879375 /nfs/dbraw/zinc/87/93/75/567879375.db2.gz XMSVIQAYDXJYIX-UHFFFAOYSA-N 1 0 257.352 3.937 40 0 CHABRO Fc1ccccc1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000019912590 567879667 /nfs/dbraw/zinc/87/96/67/567879667.db2.gz AEVAZWOSCALRAE-UHFFFAOYSA-N 1 0 263.743 3.811 40 0 CHABRO CCCCOc1ccc(C[NH2+][C@H](C)CC)cc1OC ZINC000032114236 567885438 /nfs/dbraw/zinc/88/54/38/567885438.db2.gz SHVRMTFGDPFBLU-CYBMUJFWSA-N 1 0 265.397 3.762 40 0 CHABRO CC[C@H](C)[NH2+]Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000032123277 567885989 /nfs/dbraw/zinc/88/59/89/567885989.db2.gz SVNDDZSCDFYYMP-ZDUSSCGKSA-N 1 0 277.408 3.905 40 0 CHABRO c1ccc2c(c1)nc(C1CCCC1)n2C[C@H]1CCC[NH2+]C1 ZINC000096510518 567898073 /nfs/dbraw/zinc/89/80/73/567898073.db2.gz JWFPIALVSZDWTA-AWEZNQCLSA-N 1 0 283.419 3.694 40 0 CHABRO CC[NH+](CC)Cc1ccc(C)c(Br)c1 ZINC000090413895 567907830 /nfs/dbraw/zinc/90/78/30/567907830.db2.gz GLUUWOBXGFSOMS-UHFFFAOYSA-N 1 0 256.187 3.599 40 0 CHABRO Cc1ccc(Br)c(C[NH+]2CCCCC2)c1 ZINC000090413589 567907860 /nfs/dbraw/zinc/90/78/60/567907860.db2.gz IPUQBEQGJMZJPR-UHFFFAOYSA-N 1 0 268.198 3.743 40 0 CHABRO Brc1ccc([C@H]2C[C@@H]2C[NH+]2CCCC2)cc1 ZINC000114572037 567908763 /nfs/dbraw/zinc/90/87/63/567908763.db2.gz XRBKNTXOIJFLEF-TZMCWYRMSA-N 1 0 280.209 3.648 40 0 CHABRO Cc1ccc2[nH]c(=O)c(C[NH2+][C@@H](C)c3ccccc3)cc2c1 ZINC000013998781 567912832 /nfs/dbraw/zinc/91/28/32/567912832.db2.gz GBFWEBZFSUQTBA-AWEZNQCLSA-N 1 0 292.382 3.687 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1Br ZINC000072211628 567917496 /nfs/dbraw/zinc/91/74/96/567917496.db2.gz QNCXWXVXXWABRY-LBPRGKRZSA-N 1 0 283.213 3.781 40 0 CHABRO c1[nH]c2ccccc2c1[C@@H]1CCCC[C@H]1[NH2+]C1CC1 ZINC000072210199 567917701 /nfs/dbraw/zinc/91/77/01/567917701.db2.gz PANGFHOBYNCCJF-WMLDXEAASA-N 1 0 254.377 3.946 40 0 CHABRO CC[C@@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213535 567918756 /nfs/dbraw/zinc/91/87/56/567918756.db2.gz ZRONWPSXWANAID-UKRRQHHQSA-N 1 0 261.413 3.839 40 0 CHABRO CCCCNc1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072213615 567918761 /nfs/dbraw/zinc/91/87/61/567918761.db2.gz GTQNORYTBPQAAV-OAHLLOKOSA-N 1 0 261.413 3.841 40 0 CHABRO CC(C)CNc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072213317 567919273 /nfs/dbraw/zinc/91/92/73/567919273.db2.gz ZVFQRABDPDLDLH-INIZCTEOSA-N 1 0 275.440 3.942 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213844 567919304 /nfs/dbraw/zinc/91/93/04/567919304.db2.gz DVKVXMFBYQGCNK-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217407 567919709 /nfs/dbraw/zinc/91/97/09/567919709.db2.gz FKHNWBAOQJNUMU-GFCCVEGCSA-N 1 0 250.411 3.739 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214070 567919762 /nfs/dbraw/zinc/91/97/62/567919762.db2.gz LZNMMZXZLYHCQA-INIZCTEOSA-N 1 0 267.376 3.982 40 0 CHABRO c1cc(SC2CCCCC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072217224 567919776 /nfs/dbraw/zinc/91/97/76/567919776.db2.gz CCDAXIIBNCZCJU-CQSZACIVSA-N 1 0 262.422 3.931 40 0 CHABRO COc1cc(C)c([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072218006 567920123 /nfs/dbraw/zinc/92/01/23/567920123.db2.gz IHSBZHOZMLNGCR-QGZVFWFLSA-N 1 0 282.387 3.736 40 0 CHABRO c1ccc(Sc2ccc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000072217583 567920282 /nfs/dbraw/zinc/92/02/82/567920282.db2.gz ULKKYRQOXQEGNH-AWEZNQCLSA-N 1 0 256.374 3.657 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216693 567920443 /nfs/dbraw/zinc/92/04/43/567920443.db2.gz AGPVEGNGTKERKU-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO CSc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072216904 567920915 /nfs/dbraw/zinc/92/09/15/567920915.db2.gz ODKADYXKFLWGLT-AWEZNQCLSA-N 1 0 264.438 3.987 40 0 CHABRO S=c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000072216991 567920925 /nfs/dbraw/zinc/92/09/25/567920925.db2.gz ONIYTUUGSULYPD-HNNXBMFYSA-N 1 0 270.401 3.707 40 0 CHABRO CCSc1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072217197 567920989 /nfs/dbraw/zinc/92/09/89/567920989.db2.gz SEWFQQDOTVLJDK-CYBMUJFWSA-N 1 0 250.411 3.741 40 0 CHABRO Cc1[nH]c(=S)ccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218402 567921066 /nfs/dbraw/zinc/92/10/66/567921066.db2.gz TURJPXZTDGOQDZ-AWEZNQCLSA-N 1 0 264.438 3.862 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217023 567921192 /nfs/dbraw/zinc/92/11/92/567921192.db2.gz KLOJJZGJCMUSAB-CYBMUJFWSA-N 1 0 250.411 3.553 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219222 567921481 /nfs/dbraw/zinc/92/14/81/567921481.db2.gz GEUJUBKFIPNFNI-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO Cc1nc(N(C)C)ccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218730 567921508 /nfs/dbraw/zinc/92/15/08/567921508.db2.gz ZXLPGXHOXOAMHD-GOSISDBHSA-N 1 0 295.430 3.793 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219271 567921661 /nfs/dbraw/zinc/92/16/61/567921661.db2.gz BHIYMWBYGQCWBN-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc(N2CCCC2)ncc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072218881 567921672 /nfs/dbraw/zinc/92/16/72/567921672.db2.gz ZOEBPJDOMHNBPW-QGZVFWFLSA-N 1 0 287.451 3.926 40 0 CHABRO Cc1nc(N2CCCC2)ccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072218940 567921681 /nfs/dbraw/zinc/92/16/81/567921681.db2.gz WVJUIJABVPSNLQ-KRWDZBQOSA-N 1 0 287.451 3.926 40 0 CHABRO Cc1cnccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219504 567921811 /nfs/dbraw/zinc/92/18/11/567921811.db2.gz VKZHVDUEJBFGRM-QGZVFWFLSA-N 1 0 252.361 3.727 40 0 CHABRO CC[C@H]([NH3+])c1cnc(N2CCCc3ccccc32)cc1C ZINC000072223924 567922475 /nfs/dbraw/zinc/92/24/75/567922475.db2.gz YPDIQXZDPBDQAQ-INIZCTEOSA-N 1 0 281.403 3.884 40 0 CHABRO [NH3+][C@@H](c1ccccc1)c1ccc(Oc2ccccc2)nc1 ZINC000072225187 567922629 /nfs/dbraw/zinc/92/26/29/567922629.db2.gz NQBAWANDOBTONJ-SFHVURJKSA-N 1 0 276.339 3.922 40 0 CHABRO CCC[n+]1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000226774639 567929263 /nfs/dbraw/zinc/92/92/63/567929263.db2.gz KKHMGTBFGKLKLI-UHFFFAOYSA-N 1 0 267.352 3.809 40 0 CHABRO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000020092442 567945348 /nfs/dbraw/zinc/94/53/48/567945348.db2.gz HZESBAYBKQOVNF-PBHICJAKSA-N 1 0 277.408 3.551 40 0 CHABRO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000020092446 567945351 /nfs/dbraw/zinc/94/53/51/567945351.db2.gz HZESBAYBKQOVNF-RHSMWYFYSA-N 1 0 277.408 3.551 40 0 CHABRO CCC[NH2+]Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000223688876 567950210 /nfs/dbraw/zinc/95/02/10/567950210.db2.gz REMCRXKMDUCVLY-UHFFFAOYSA-N 1 0 282.309 3.996 40 0 CHABRO Cc1ccc(C)c(-n2cccc2C[NH2+]CC(C)C)c1 ZINC000223681574 567950211 /nfs/dbraw/zinc/95/02/11/567950211.db2.gz DVWRIEHBQPAJHA-UHFFFAOYSA-N 1 0 256.393 3.840 40 0 CHABRO CCCn1c(C)c(C[NH3+])c2cc(O[C@@H](C)CC)ccc21 ZINC000223757456 567950560 /nfs/dbraw/zinc/95/05/60/567950560.db2.gz ODPGUZKXRFEEOZ-LBPRGKRZSA-N 1 0 274.408 3.996 40 0 CHABRO CCC[NH2+]Cc1c(C)n(C(C)C)c2ccc(O)cc12 ZINC000223765429 567950614 /nfs/dbraw/zinc/95/06/14/567950614.db2.gz MWNNFJKARNHGRL-UHFFFAOYSA-N 1 0 260.381 3.736 40 0 CHABRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(OC2CCCC2)cc1 ZINC000225170418 567952788 /nfs/dbraw/zinc/95/27/88/567952788.db2.gz GYUQTINHPPYZEQ-KSSFIOAISA-N 1 0 289.419 3.838 40 0 CHABRO CCC[NH2+]Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000032113240 567955831 /nfs/dbraw/zinc/95/58/31/567955831.db2.gz RDJARXZBNRBKJC-UHFFFAOYSA-N 1 0 263.381 3.516 40 0 CHABRO [NH3+]CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003846221 570384285 /nfs/dbraw/zinc/38/42/85/570384285.db2.gz MAGGFBLIULYYPJ-UHFFFAOYSA-N 1 0 273.379 3.980 40 0 CHABRO CC(C)[C@H]1C[C@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C ZINC000252492250 570391340 /nfs/dbraw/zinc/39/13/40/570391340.db2.gz MGPYHEWUULDAER-DZGCQCFKSA-N 1 0 290.407 3.856 40 0 CHABRO CC(C)(C)OC(=O)N1CCCCC2(C1)CCC[NH2+]CCC2 ZINC000110915207 1119072182 /nfs/dbraw/zinc/07/21/82/1119072182.db2.gz ZNXFHLDLRBNALG-UHFFFAOYSA-N 1 0 296.455 3.557 40 0 CHABRO C[NH2+]C[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000054588538 1121293032 /nfs/dbraw/zinc/29/30/32/1121293032.db2.gz ZELGKUMJOLREBI-AEFFLSMTSA-N 1 0 267.372 3.589 40 0 CHABRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2nccs2)CC1 ZINC000096052543 185073839 /nfs/dbraw/zinc/07/38/39/185073839.db2.gz XOMCAEKFCADYOY-UHFFFAOYSA-N 1 0 298.455 3.932 40 0 CHABRO CC(C)C[NH2+]Cc1cccn1Cc1ccc(Cl)cc1 ZINC000091001901 180083489 /nfs/dbraw/zinc/08/34/89/180083489.db2.gz ASKWUSULSSNFMM-UHFFFAOYSA-N 1 0 276.811 3.935 40 0 CHABRO c1ccc(Nc2cc(CC[C@@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000257237506 190018107 /nfs/dbraw/zinc/01/81/07/190018107.db2.gz HGVARBIECUUMPY-INIZCTEOSA-N 1 0 281.403 3.757 40 0 CHABRO c1cc2c(cccc2C[N@@H+]2CCCC[C@H]2c2ccncn2)[nH]1 ZINC000257261747 190022141 /nfs/dbraw/zinc/02/21/41/190022141.db2.gz LIQVWFPSDZPCKQ-SFHVURJKSA-N 1 0 292.386 3.685 40 0 CHABRO c1cc2c(cccc2C[N@@H+]2CCCC[C@@H]2c2ccncn2)[nH]1 ZINC000257261746 190022668 /nfs/dbraw/zinc/02/26/68/190022668.db2.gz LIQVWFPSDZPCKQ-GOSISDBHSA-N 1 0 292.386 3.685 40 0 CHABRO c1cc2ccc(C[N@@H+]3CCCC[C@H]3c3ccncn3)cc2[nH]1 ZINC000257287095 190027258 /nfs/dbraw/zinc/02/72/58/190027258.db2.gz POMRNMLUINEGAE-SFHVURJKSA-N 1 0 292.386 3.685 40 0 CHABRO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257288446 190027331 /nfs/dbraw/zinc/02/73/31/190027331.db2.gz PUFOGGCWYZDSAJ-CQSZACIVSA-N 1 0 287.432 3.535 40 0 CHABRO CC[C@H]([NH3+])c1ccc(Sc2ccccc2)nc1C ZINC000072224231 256704950 /nfs/dbraw/zinc/70/49/50/256704950.db2.gz DWVILWVTNZUHFO-AWEZNQCLSA-N 1 0 258.390 3.951 40 0 CHABRO Cc1cc(N2CCCCCC2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223534 256705332 /nfs/dbraw/zinc/70/53/32/256705332.db2.gz BOTWKVCGEBSPQX-LJQANCHMSA-N 1 0 295.430 3.819 40 0 CHABRO CC[NH+](CC)[C@H](C)[C@@H](O)c1ccc2cccc3c2c1CC3 ZINC000001592045 169721145 /nfs/dbraw/zinc/72/11/45/169721145.db2.gz FXEIPEMCWVHOLS-BFUOFWGJSA-N 1 0 283.415 3.702 40 0 CHABRO C[C@@H]([C@H](O)c1cc2c(c3ccccc31)CCCC2)[NH+](C)C ZINC000001706354 169746076 /nfs/dbraw/zinc/74/60/76/169746076.db2.gz SDPZTOYYDSQEQV-DJJJIMSYSA-N 1 0 283.415 3.702 40 0 CHABRO CC(C)=CC[N@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C ZINC000001699600 169744775 /nfs/dbraw/zinc/74/47/75/169744775.db2.gz VOKSWYLNZZRQPF-JVPBZIDWSA-N 1 0 285.431 3.883 40 0 in-vitro CHABRO CCCCCCOC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000004742758 170009456 /nfs/dbraw/zinc/00/94/56/170009456.db2.gz HVZIZJATIKUIKV-HNNXBMFYSA-N 1 0 286.460 3.803 40 0 CHABRO CC(C)C[NH2+]Cc1cccn1Cc1ccccc1Cl ZINC000005074439 170064406 /nfs/dbraw/zinc/06/44/06/170064406.db2.gz QXIFDEYWTNOGHA-UHFFFAOYSA-N 1 0 276.811 3.935 40 0 CHABRO Cn1c2cccc3cccc(c32)[n+](C)c1-c1ccccc1 ZINC000005334718 170087040 /nfs/dbraw/zinc/08/70/40/170087040.db2.gz FLZGTTNCKGKPMC-UHFFFAOYSA-N 1 0 273.359 3.823 40 0 CHABRO C[N@@H+]1CCC2=C(c3ccccc3)c3ccccc3[C@H]2C1 ZINC000005700911 170130955 /nfs/dbraw/zinc/13/09/55/170130955.db2.gz JNDASOYIKNULGB-GOSISDBHSA-N 1 0 261.368 3.921 40 0 CHABRO CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000006326210 170191383 /nfs/dbraw/zinc/19/13/83/170191383.db2.gz PBHZOWCWYNQCRE-UHFFFAOYSA-N 1 0 259.324 3.514 40 0 CHABRO CCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000006430989 170201142 /nfs/dbraw/zinc/20/11/42/170201142.db2.gz HJQHSNPBVNCXPT-UHFFFAOYSA-N 1 0 273.351 3.904 40 0 CHABRO CC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000006497344 170207382 /nfs/dbraw/zinc/20/73/82/170207382.db2.gz KTSZZWSOZYCIPV-UHFFFAOYSA-N 1 0 259.324 3.514 40 0 CHABRO CCOc1ccc(C[NH2+]C2CCCC2)cc1OCC ZINC000008324850 170331475 /nfs/dbraw/zinc/33/14/75/170331475.db2.gz ZNCGGBHVCARIFJ-UHFFFAOYSA-N 1 0 263.381 3.516 40 0 CHABRO CCOc1ccc(C[NH2+]CCc2ccccc2)cc1OCC ZINC000008324884 170331491 /nfs/dbraw/zinc/33/14/91/170331491.db2.gz ISLIOYHPQPEZKC-UHFFFAOYSA-N 1 0 299.414 3.816 40 0 CHABRO C[n+]1cccc([C@@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@H]32)c1 ZINC000012655910 170503104 /nfs/dbraw/zinc/50/31/04/170503104.db2.gz RSUINDYISXUKNH-YRXWBPOGSA-N 1 0 284.423 3.868 40 0 CHABRO Fc1ccccc1CC[NH2+]C/C=C/c1ccccc1 ZINC000016450934 170698429 /nfs/dbraw/zinc/69/84/29/170698429.db2.gz OTTBIUDFROICNX-RMKNXTFCSA-N 1 0 255.336 3.671 40 0 CHABRO CC[C@@H](C)n1c2ccc(Cl)cc2nc1[C@H](C)[NH3+] ZINC000040408274 174254329 /nfs/dbraw/zinc/25/43/29/174254329.db2.gz UTULRFIGBDTCCG-BDAKNGLRSA-N 1 0 251.761 3.680 40 0 CHABRO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000049171166 175466472 /nfs/dbraw/zinc/46/64/72/175466472.db2.gz GLJWWNMBQIYGKV-AWEZNQCLSA-N 1 0 283.419 3.695 40 0 biogenic,in-vitro CHABRO Fc1ccccc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000072342079 176371597 /nfs/dbraw/zinc/37/15/97/176371597.db2.gz GBXSGBNXAFPUBG-UHFFFAOYSA-N 1 0 270.351 3.600 40 0 CHABRO C[C@H](c1ccco1)N(C)Cc1cccn1-c1cc[nH+]cc1 ZINC000072397958 176395662 /nfs/dbraw/zinc/39/56/62/176395662.db2.gz SWEZNQJICSXDKR-CQSZACIVSA-N 1 0 281.359 3.658 40 0 CHABRO CCSc1ncc(C[NH2+]C2CCCCCCC2)cn1 ZINC000062717314 262298981 /nfs/dbraw/zinc/29/89/81/262298981.db2.gz QINRIIXQCKUFFI-UHFFFAOYSA-N 1 0 279.453 3.791 40 0 CHABRO CCCNc1ncc(C[NH2+][C@@H](CCC)c2ccccc2)cn1 ZINC000062717710 333175989 /nfs/dbraw/zinc/17/59/89/333175989.db2.gz ZQPXSWANPHDERD-KRWDZBQOSA-N 1 0 298.434 3.930 40 0 CHABRO c1ccc2sc([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC000049168921 560085010 /nfs/dbraw/zinc/08/50/10/560085010.db2.gz YPXJPEMHTLLPIE-NSHDSACASA-N 1 0 258.390 3.638 40 0 biogenic,in-vitro CHABRO c1ccc(-c2ccc3oc(C4CC[NH2+]CC4)nc3c2)cc1 ZINC000062557238 566821457 /nfs/dbraw/zinc/82/14/57/566821457.db2.gz YQJKIBLFOBOZQW-UHFFFAOYSA-N 1 0 278.355 3.962 40 0 CHABRO CCOc1cc(C[NH2+]C(C)C)ccc1OC1CCCC1 ZINC000034815865 567827978 /nfs/dbraw/zinc/82/79/78/567827978.db2.gz COANQMNUNLZKOU-UHFFFAOYSA-N 1 0 277.408 3.905 40 0 CHABRO COc1ccc(C2C[C@@H](c3ccccc3)C(C)(C)[N+]2=O)cc1 ZINC000001569063 567838022 /nfs/dbraw/zinc/83/80/22/567838022.db2.gz NZNKHJOMLMNGAW-KRWDZBQOSA-N 1 0 295.382 3.961 40 0 CHABRO C[N@@H+]1CC[C@@H](C[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000001628102 567839761 /nfs/dbraw/zinc/83/97/61/567839761.db2.gz NZBBMMXOZYOFPC-QFBILLFUSA-N 1 0 287.447 3.796 40 0 CHABRO CC[NH+](CC)C[C@H](c1ccccc1)C1(O)CCCCC1 ZINC000001671203 567841076 /nfs/dbraw/zinc/84/10/76/567841076.db2.gz WHDCMZKMCQFYGL-QGZVFWFLSA-N 1 0 275.436 3.807 40 0 CHABRO CC[NH+](CC)CCCCNc1ccc(Cl)cc1 ZINC000001673361 567841185 /nfs/dbraw/zinc/84/11/85/567841185.db2.gz NNNIUBZYBAJRMM-UHFFFAOYSA-N 1 0 254.805 3.874 40 0 CHABRO Cc1c2oc3c(c2c(C)c2c1CC[NH+]=C2)CCCC3 ZINC000001704351 567842060 /nfs/dbraw/zinc/84/20/60/567842060.db2.gz YWWVOUMWNWHVST-UHFFFAOYSA-N 1 0 253.345 3.903 40 0 CHABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000035093067 567844004 /nfs/dbraw/zinc/84/40/04/567844004.db2.gz ZLYUPXNPZUWJIQ-ARFHVFGLSA-N 1 0 297.483 3.596 40 0 CHABRO COc1cc2cccnc2c(NCC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000004366792 567857094 /nfs/dbraw/zinc/85/70/94/567857094.db2.gz GCFJQTXRAZEHFB-HNNXBMFYSA-N 1 0 299.418 3.530 40 0 CHABRO CCCCN(C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000408732816 567860884 /nfs/dbraw/zinc/86/08/84/567860884.db2.gz ZPMQESNNSUUNBC-MRXNPFEDSA-N 1 0 260.425 3.635 40 0 CHABRO C[C@@H](C[NH2+][C@@H]1COC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000012220738 567862676 /nfs/dbraw/zinc/86/26/76/567862676.db2.gz IRMRYRSUWXGPRO-ZOCIIQOWSA-N 1 0 299.389 3.701 40 0 CHABRO c1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019373872 567877779 /nfs/dbraw/zinc/87/77/79/567877779.db2.gz BGTSCRBVFFYYHM-UJCHZGTJSA-N 1 0 285.431 3.585 40 0 CHABRO c1ccc([C@H]2C[N@@H+](C[C@@H]3CCOC3)CC23CCCC3)cc1 ZINC000019369997 567878078 /nfs/dbraw/zinc/87/80/78/567878078.db2.gz UDZOJCHIZIODME-FUHWJXTLSA-N 1 0 285.431 3.683 40 0 CHABRO c1ccc([C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC23CCCC3)cc1 ZINC000036719492 567889904 /nfs/dbraw/zinc/88/99/04/567889904.db2.gz UDZOJCHIZIODME-WMZOPIPTSA-N 1 0 285.431 3.683 40 0 CHABRO CC(C)n1cc([C@@H](C[NH3+])C(F)(F)F)c2ccccc21 ZINC000096529469 567898042 /nfs/dbraw/zinc/89/80/42/567898042.db2.gz UFMHAZWYJVYVBM-GFCCVEGCSA-N 1 0 270.298 3.827 40 0 CHABRO C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)Cc1c[nH]c2ccccc12 ZINC000068605808 567900908 /nfs/dbraw/zinc/90/09/08/567900908.db2.gz CDRIUGKQLDWUDV-LIRRHRJNSA-N 1 0 294.398 3.722 40 0 CHABRO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C)CC1 ZINC000082086986 567906822 /nfs/dbraw/zinc/90/68/22/567906822.db2.gz IBQNMRFBCGQZNQ-UHFFFAOYSA-N 1 0 271.408 3.849 40 0 CHABRO CC[NH+](CC)Cc1cc(C)ccc1Br ZINC000090413900 567907800 /nfs/dbraw/zinc/90/78/00/567907800.db2.gz GZHJZMMMLDQTFB-UHFFFAOYSA-N 1 0 256.187 3.599 40 0 CHABRO COc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072211746 567917576 /nfs/dbraw/zinc/91/75/76/567917576.db2.gz ONPZDPJXCPXYMO-QGZVFWFLSA-N 1 0 282.387 3.817 40 0 CHABRO Cc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211280 567917625 /nfs/dbraw/zinc/91/76/25/567917625.db2.gz AQBUYNFMAJUPBL-KRWDZBQOSA-N 1 0 252.361 3.727 40 0 CHABRO CCOC(=O)C[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000072210303 567917640 /nfs/dbraw/zinc/91/76/40/567917640.db2.gz DUCXPIVTPBAUBK-CQSZACIVSA-N 1 0 283.799 3.676 40 0 CHABRO CNc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212503 567918023 /nfs/dbraw/zinc/91/80/23/567918023.db2.gz GULMEQUYLBFWMK-QGZVFWFLSA-N 1 0 281.403 3.851 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(CC)CC)nc1 ZINC000072212841 567918333 /nfs/dbraw/zinc/91/83/33/567918333.db2.gz AOEWPWMXPAHFFG-MRXNPFEDSA-N 1 0 275.440 3.865 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212011 567918496 /nfs/dbraw/zinc/91/84/96/567918496.db2.gz NAWKIGLSDYEGQW-KRWDZBQOSA-N 1 0 282.387 3.817 40 0 CHABRO CC[C@@H](C)Nc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213505 567919079 /nfs/dbraw/zinc/91/90/79/567919079.db2.gz OBRGPSBTKPREKR-UKRRQHHQSA-N 1 0 261.413 3.837 40 0 CHABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2NC2CC2)cc1 ZINC000072213707 567919106 /nfs/dbraw/zinc/91/91/06/567919106.db2.gz FWJCJBGEVSBMHG-GOSISDBHSA-N 1 0 293.414 3.993 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213974 567919116 /nfs/dbraw/zinc/91/91/16/567919116.db2.gz ONIVZYZQKWPHHG-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214010 567919278 /nfs/dbraw/zinc/91/92/78/567919278.db2.gz VONDLGQMKYSNBC-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(OC)nc1C ZINC000072218100 567919639 /nfs/dbraw/zinc/91/96/39/567919639.db2.gz PGEDJJHDWPCGSS-OAHLLOKOSA-N 1 0 262.397 3.726 40 0 CHABRO CC(C)(C)Sc1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072217374 567919877 /nfs/dbraw/zinc/91/98/77/567919877.db2.gz XXMIDJNGHNKXOI-GFCCVEGCSA-N 1 0 250.411 3.787 40 0 CHABRO S=c1[nH]cccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072217051 567920982 /nfs/dbraw/zinc/92/09/82/567920982.db2.gz LUWLKJZPTKEDJC-HNNXBMFYSA-N 1 0 270.401 3.707 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217024 567921090 /nfs/dbraw/zinc/92/10/90/567921090.db2.gz KLOJJZGJCMUSAB-ZDUSSCGKSA-N 1 0 250.411 3.553 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1C ZINC000072218398 567921216 /nfs/dbraw/zinc/92/12/16/567921216.db2.gz SJBJHVZIQGJWNC-CYBMUJFWSA-N 1 0 250.411 3.616 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=S)cc1C ZINC000072218338 567921264 /nfs/dbraw/zinc/92/12/64/567921264.db2.gz SNRKKRXCMHQFNR-CYBMUJFWSA-N 1 0 250.411 3.616 40 0 CHABRO Cc1[nH]c(=O)ccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218226 567921314 /nfs/dbraw/zinc/92/13/14/567921314.db2.gz NMOCIPNDBINPRR-KRWDZBQOSA-N 1 0 282.387 3.823 40 0 CHABRO Cc1ccc(-c2cc(C3(C[NH3+])CCCC3)no2)cc1C ZINC000072220689 567921329 /nfs/dbraw/zinc/92/13/29/567921329.db2.gz YQONFANKFJKNSF-UHFFFAOYSA-N 1 0 270.376 3.729 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218866 567921653 /nfs/dbraw/zinc/92/16/53/567921653.db2.gz LFEOMRUEHDPPEB-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219296 567921726 /nfs/dbraw/zinc/92/17/26/567921726.db2.gz XSABRXPCJBXZLH-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO COc1ccc(OC)c([C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000072221886 567922213 /nfs/dbraw/zinc/92/22/13/567922213.db2.gz VNCWQGHNWUQNJB-HNNXBMFYSA-N 1 0 263.381 3.639 40 0 CHABRO Cc1cc(C[NH2+]Cc2c(C)nn(C(C)C)c2C)c(C)o1 ZINC000085395732 567922981 /nfs/dbraw/zinc/92/29/81/567922981.db2.gz PARYVJPDJGFZHE-UHFFFAOYSA-N 1 0 275.396 3.580 40 0 CHABRO C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2[NH3+] ZINC000118930988 567927257 /nfs/dbraw/zinc/92/72/57/567927257.db2.gz OMKYOYBEVIPBMI-LOOUSXENSA-N 1 0 291.479 3.717 40 0 CHABRO CC[n+]1cccc(-c2nc3ccc(Cl)cc3s2)c1 ZINC000226776702 567929185 /nfs/dbraw/zinc/92/91/85/567929185.db2.gz LLXCTMVNQWRVPR-UHFFFAOYSA-N 1 0 275.784 3.924 40 0 CHABRO CCC[n+]1cccc(-c2nc3ccc(F)cc3s2)c1 ZINC000226776618 567929293 /nfs/dbraw/zinc/92/92/93/567929293.db2.gz MLMPLASFILLHHZ-UHFFFAOYSA-N 1 0 273.356 3.800 40 0 CHABRO CC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000000194745 567929406 /nfs/dbraw/zinc/92/94/06/567929406.db2.gz NLYDGRAKTGLDJJ-UHFFFAOYSA-N 1 0 282.387 3.510 40 0 CHABRO C[NH2+][C@@H](C)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000070453331 567930835 /nfs/dbraw/zinc/93/08/35/567930835.db2.gz AVVHBXPHMCYFMY-HVHJFMEUSA-N 1 0 267.372 3.887 40 0 CHABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC000100809287 567936936 /nfs/dbraw/zinc/93/69/36/567936936.db2.gz WTUFEALJAPPSMK-GASCZTMLSA-N 1 0 296.455 3.602 40 0 CHABRO C[C@H]1C(O)[C@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000101140101 567937208 /nfs/dbraw/zinc/93/72/08/567937208.db2.gz GGCLDJYYOISOSI-FPVYWFORSA-N 1 0 281.399 3.705 40 0 CHABRO COc1ccccc1C[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC000585672788 567938416 /nfs/dbraw/zinc/93/84/16/567938416.db2.gz CBRKBJHWROLUDO-OAHLLOKOSA-N 1 0 269.388 3.724 40 0 in-vitro CHABRO Fc1ccc(CC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000015423474 567943919 /nfs/dbraw/zinc/94/39/19/567943919.db2.gz BGEGZFUZOOPCRM-UHFFFAOYSA-N 1 0 268.335 3.639 40 0 CHABRO COCCC[NH2+]Cc1cccn1-c1ccc(C)c(Cl)c1 ZINC000223687736 567950401 /nfs/dbraw/zinc/95/04/01/567950401.db2.gz UOLJPLMCSVHHLY-UHFFFAOYSA-N 1 0 292.810 3.565 40 0 CHABRO CCCC[NH2+]Cc1cccn1[C@H](C)c1ccccc1 ZINC000223691220 567950404 /nfs/dbraw/zinc/95/04/04/567950404.db2.gz XRNDRWKQYDDWST-OAHLLOKOSA-N 1 0 256.393 3.987 40 0 CHABRO CC[C@@H](C)Oc1ccc2c(c1)c(C[NH2+]C)c(C)n2CC ZINC000223760459 567950545 /nfs/dbraw/zinc/95/05/45/567950545.db2.gz HXHPAWKJSIMUTK-GFCCVEGCSA-N 1 0 274.408 3.866 40 0 CHABRO CCC[NH2+]Cc1c(C)[nH]c2ccc(OCCC)cc21 ZINC000223766899 567950599 /nfs/dbraw/zinc/95/05/99/567950599.db2.gz NOLHOVIWHPCXGN-UHFFFAOYSA-N 1 0 260.381 3.765 40 0 CHABRO C[N@H+](CCc1ccc2cccc(O)c2n1)C1CCCCC1 ZINC000059474699 567956316 /nfs/dbraw/zinc/95/63/16/567956316.db2.gz JWGSAUVKCIHGEQ-UHFFFAOYSA-N 1 0 284.403 3.747 40 0 CHABRO CC[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000066116159 570245046 /nfs/dbraw/zinc/24/50/46/570245046.db2.gz FYSYRBSXBBTMKZ-STQMWFEESA-N 1 0 265.397 3.761 40 0 CHABRO Cc1ccc2nc(C(F)(F)F)cc(SCC[NH3+])c2c1 ZINC000002525209 570215186 /nfs/dbraw/zinc/21/51/86/570215186.db2.gz BBMCLMUUDPOABI-UHFFFAOYSA-N 1 0 286.322 3.613 40 0 CHABRO Fc1cc(C(F)(F)F)ccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311729 570359179 /nfs/dbraw/zinc/35/91/79/570359179.db2.gz USJWWENBLJJRCI-UQPYNNQESA-N 1 0 273.273 3.843 40 0 CHABRO Fc1cc(Cl)cc(F)c1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311755 570359187 /nfs/dbraw/zinc/35/91/87/570359187.db2.gz AXHWQURNPYITFD-RSMPGPOFSA-N 1 0 257.711 3.616 40 0 CHABRO CCn1c2ccccc2c2cc(C[NH2+]C(C)(C)CO)ccc21 ZINC000006871166 230369943 /nfs/dbraw/zinc/36/99/43/230369943.db2.gz KKILSBVMCXKTFJ-UHFFFAOYSA-N 1 0 296.414 3.675 40 0 CHABRO c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2CC2CC2)cc1 ZINC000096061595 185083229 /nfs/dbraw/zinc/08/32/29/185083229.db2.gz JFKOZPIBBFAARA-RBUKOAKNSA-N 1 0 285.431 3.509 40 0 CHABRO CC(C)(C)Nc1nc(NCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000329023418 202155998 /nfs/dbraw/zinc/15/59/98/202155998.db2.gz OSZTUBSCZIINAO-UHFFFAOYSA-N 1 0 296.418 3.598 40 0 CHABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257235473 190016915 /nfs/dbraw/zinc/01/69/15/190016915.db2.gz GXZUALRXYWUIBX-KRWDZBQOSA-N 1 0 296.418 3.655 40 0 CHABRO Cc1ccsc1C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257288445 190027285 /nfs/dbraw/zinc/02/72/85/190027285.db2.gz PUFOGGCWYZDSAJ-AWEZNQCLSA-N 1 0 287.432 3.535 40 0 CHABRO CCSc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072217125 256709604 /nfs/dbraw/zinc/70/96/04/256709604.db2.gz XIGWRLFXWBMVER-CQSZACIVSA-N 1 0 264.438 3.987 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213801 256712748 /nfs/dbraw/zinc/71/27/48/256712748.db2.gz WQVMPVZAJJTJEW-INIZCTEOSA-N 1 0 273.424 3.839 40 0 CHABRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1CCCCC[NH2+]1 ZINC000217459930 130760797 /nfs/dbraw/zinc/76/07/97/130760797.db2.gz ZETSUFZCZGPEEG-KRWDZBQOSA-N 1 0 283.419 3.753 40 0 CHABRO COc1ccc2sc(/C=C/c3ccccc3O)[n+](C)c2c1 ZINC000004838697 170026964 /nfs/dbraw/zinc/02/69/64/170026964.db2.gz LRQQEHRWDQFMIG-UHFFFAOYSA-O 1 0 298.387 3.610 40 0 CHABRO O[C@@H](/C=C\c1ccccc1)CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000004934853 170042206 /nfs/dbraw/zinc/04/22/06/170042206.db2.gz JYGDXORVNYESLN-MMLFBZMQSA-N 1 0 285.431 3.573 40 0 CHABRO CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1CCO ZINC000005285166 170082900 /nfs/dbraw/zinc/08/29/00/170082900.db2.gz WIMJDYXXOHMMBC-UHFFFAOYSA-N 1 0 284.423 3.880 40 0 CHABRO CCOc1ccc(Br)cc1C[NH2+]C(C)(C)C ZINC000007519225 170287900 /nfs/dbraw/zinc/28/79/00/170287900.db2.gz FWZKHPJBMVZJMJ-UHFFFAOYSA-N 1 0 286.213 3.736 40 0 CHABRO CCc1ccc(-c2cc[n+]3cc(Cl)ccc3n2)cc1 ZINC000008201648 170324251 /nfs/dbraw/zinc/32/42/51/170324251.db2.gz MOQDMPSCSPAUHR-UHFFFAOYSA-N 1 0 269.755 3.703 40 0 CHABRO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OC ZINC000008535346 170339340 /nfs/dbraw/zinc/33/93/40/170339340.db2.gz PRTDGVOHVUYRHI-CYBMUJFWSA-N 1 0 271.360 3.555 40 0 CHABRO Cc1cc(C)c([C@H](c2ccccc2)N2CC[NH2+]CC2)c(C)c1 ZINC000022793229 171398627 /nfs/dbraw/zinc/39/86/27/171398627.db2.gz FXZOPXCXLYXBPO-FQEVSTJZSA-N 1 0 294.442 3.606 40 0 CHABRO FC(F)(F)Oc1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1 ZINC000026894268 171502024 /nfs/dbraw/zinc/50/20/24/171502024.db2.gz XPOVXMCBTDEPDT-UHFFFAOYSA-N 1 0 284.281 3.534 40 0 CHABRO CC1CCN([C@H](C[NH3+])c2cccc(Cl)c2Cl)CC1 ZINC000039034758 174161888 /nfs/dbraw/zinc/16/18/88/174161888.db2.gz IEPJOPKFBLKRGT-CYBMUJFWSA-N 1 0 287.234 3.725 40 0 CHABRO CC[C@H](C)n1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000040408315 174254141 /nfs/dbraw/zinc/25/41/41/174254141.db2.gz FRFYXETXTQLVLL-JTQLQIEISA-N 1 0 265.788 3.552 40 0 CHABRO CCCC[NH2+]Cc1ccc(OC(C)C)c(OCC)c1 ZINC000040728666 174387920 /nfs/dbraw/zinc/38/79/20/174387920.db2.gz VOZPTJGSFKCVGQ-UHFFFAOYSA-N 1 0 265.397 3.762 40 0 CHABRO C[C@H]([NH2+]C(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000045302418 175355018 /nfs/dbraw/zinc/35/50/18/175355018.db2.gz ZKFFJBXJJFDBJM-QMMMGPOBSA-N 1 0 274.191 3.953 40 0 in-vitro CHABRO [NH3+]CCSc1ccc(Br)c2ccccc12 ZINC000072227005 176343251 /nfs/dbraw/zinc/34/32/51/176343251.db2.gz GJZXPOSCXRZQGQ-UHFFFAOYSA-N 1 0 282.206 3.653 40 0 CHABRO Clc1ccccc1Cc1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072343731 176372027 /nfs/dbraw/zinc/37/20/27/176372027.db2.gz LRBXEBVGTQGRPW-CQSZACIVSA-N 1 0 286.806 3.793 40 0 CHABRO C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072348575 176373553 /nfs/dbraw/zinc/37/35/53/176373553.db2.gz FYVKJQSHEDNGSG-HNNXBMFYSA-N 1 0 284.378 3.621 40 0 CHABRO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072348558 176373606 /nfs/dbraw/zinc/37/36/06/176373606.db2.gz INNQXLRLCGSBCD-OAHLLOKOSA-N 1 0 282.387 3.566 40 0 CHABRO C[N@@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072348551 176373630 /nfs/dbraw/zinc/37/36/30/176373630.db2.gz ARBLLYOSWTUVJU-ZDUSSCGKSA-N 1 0 270.351 3.697 40 0 CHABRO Cc1cc(Cc2ccccc2F)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072354409 176375157 /nfs/dbraw/zinc/37/51/57/176375157.db2.gz INZUIESASHMERN-MRXNPFEDSA-N 1 0 284.378 3.587 40 0 CHABRO C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359279 176377020 /nfs/dbraw/zinc/37/70/20/176377020.db2.gz QQVMGTAWWUXOHI-CYBMUJFWSA-N 1 0 287.794 3.606 40 0 CHABRO Cc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C)C2)c1C ZINC000072365359 176380546 /nfs/dbraw/zinc/38/05/46/176380546.db2.gz HQGXDNFKGUCECR-HNNXBMFYSA-N 1 0 281.403 3.570 40 0 CHABRO Cc1sc2c([C@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2c1C ZINC000072367726 176382886 /nfs/dbraw/zinc/38/28/86/176382886.db2.gz LWUDJBFLPAXBCU-AWEZNQCLSA-N 1 0 291.464 3.909 40 0 CHABRO FC(F)(F)c1ccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000072379966 176387010 /nfs/dbraw/zinc/38/70/10/176387010.db2.gz JVMCJODKCQOQOG-LLVKDONJSA-N 1 0 295.308 3.563 40 0 CHABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(C)n2)cc1 ZINC000072379984 176387026 /nfs/dbraw/zinc/38/70/26/176387026.db2.gz VOGIJMSMTGLQJK-GOSISDBHSA-N 1 0 297.402 3.521 40 0 CHABRO Cc1ccc(-c2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072386729 176392016 /nfs/dbraw/zinc/39/20/16/176392016.db2.gz KKHFFIAPUFWJLQ-UHFFFAOYSA-N 1 0 252.361 3.524 40 0 CHABRO CCCC[NH2+]Cc1cccn1Cc1cccc(C)c1 ZINC000035293108 260150867 /nfs/dbraw/zinc/15/08/67/260150867.db2.gz AMFMASDRDOQDNZ-UHFFFAOYSA-N 1 0 256.393 3.735 40 0 CHABRO CCCC[NH2+]Cc1ccn([C@H](C)c2ccccc2)c1 ZINC000223694727 520693090 /nfs/dbraw/zinc/69/30/90/520693090.db2.gz ZHGNGKWOZWWSPC-OAHLLOKOSA-N 1 0 256.393 3.987 40 0 CHABRO CCCCc1cc(C[C@@H]2C[C@H]([NH2+]C(C)C)C2(C)C)no1 ZINC000067889856 567888998 /nfs/dbraw/zinc/88/89/98/567888998.db2.gz QTVGVRFJKGNCGA-CJNGLKHVSA-N 1 0 278.440 3.972 40 0 biogenic,in-vitro CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(Cl)nc1C ZINC000072217906 567920542 /nfs/dbraw/zinc/92/05/42/567920542.db2.gz PHCFOUXQJCTJOS-ZDUSSCGKSA-N 1 0 252.789 3.980 40 0 CHABRO CC[NH2+]Cc1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000223677325 567950371 /nfs/dbraw/zinc/95/03/71/567950371.db2.gz WAOPHDNTBPDYLM-AWEZNQCLSA-N 1 0 256.393 3.824 40 0 CHABRO CC(C)C[N@@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168940 560084915 /nfs/dbraw/zinc/08/49/15/560084915.db2.gz WEACMGOTGCTGQG-LBPRGKRZSA-N 1 0 260.406 3.742 40 0 biogenic,in-vitro CHABRO Cc1cn2c([n+]1Cc1ccc(Cl)cc1)-c1ccccc1C2 ZINC000026442116 566943013 /nfs/dbraw/zinc/94/30/13/566943013.db2.gz RPABKZUDEDXUNR-UHFFFAOYSA-N 1 0 295.793 3.814 40 0 CHABRO Clc1cccc(Cl)c1COC[C@H]1CCCC[NH2+]1 ZINC000028521947 566945920 /nfs/dbraw/zinc/94/59/20/566945920.db2.gz GRKGVIAAOONXKX-SNVBAGLBSA-N 1 0 274.191 3.652 40 0 CHABRO C[C@@H](C[C@H]1OC[C@H](C[NH+]2CCCCC2)O1)CC(C)(C)C ZINC000001229976 567074338 /nfs/dbraw/zinc/07/43/38/567074338.db2.gz HFXRXQYPTWPANL-JYJNAYRXSA-N 1 0 283.456 3.676 40 0 CHABRO Cc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000062718634 567109377 /nfs/dbraw/zinc/10/93/77/567109377.db2.gz DYRRWRHPIBOAAD-UHFFFAOYSA-N 1 0 279.387 3.594 40 0 CHABRO [NH3+][C@H]1C[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000070453080 567118894 /nfs/dbraw/zinc/11/88/94/567118894.db2.gz GKVNCHFBXNLICC-QWRGUYRKSA-N 1 0 267.250 3.780 40 0 CHABRO [NH3+][C@H]1C[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000070453079 567119245 /nfs/dbraw/zinc/11/92/45/567119245.db2.gz GKVNCHFBXNLICC-MNOVXSKESA-N 1 0 267.250 3.780 40 0 CHABRO Oc1cccc([C@]23CCCC[C@@H]2C[N@H+](CC2CC2)CC3)c1 ZINC000000002650 567816472 /nfs/dbraw/zinc/81/64/72/567816472.db2.gz KFIQKMINEHFZSM-IEBWSBKVSA-N 1 0 285.431 3.936 40 0 CHABRO CC[NH+](CC)Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O ZINC000000150221 567820396 /nfs/dbraw/zinc/82/03/96/567820396.db2.gz IKYOFMXJLYDDOA-UHFFFAOYSA-N 1 0 292.810 3.640 40 0 CHABRO CC[NH+](CC)[C@@H](C)[C@@H](O)c1ccc2cccc3c2c1CC3 ZINC000001592044 567839014 /nfs/dbraw/zinc/83/90/14/567839014.db2.gz FXEIPEMCWVHOLS-ORAYPTAESA-N 1 0 283.415 3.702 40 0 CHABRO CC[C@](O)(CC[NH+]1CC2CCC(CC2)C1)c1ccccc1 ZINC000001615841 567839437 /nfs/dbraw/zinc/83/94/37/567839437.db2.gz PIVURKQKLSUAKN-TVPLGVNVSA-N 1 0 287.447 3.796 40 0 CHABRO O[C@@H](c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001668861 567840610 /nfs/dbraw/zinc/84/06/10/567840610.db2.gz ZJQDTSJAQWHKJT-PMACEKPBSA-N 1 0 295.426 3.990 40 0 CHABRO CCC[NH+](CCC)CC(=O)c1ccc(Br)cc1 ZINC000001687492 567841447 /nfs/dbraw/zinc/84/14/47/567841447.db2.gz SLKUMCIIZXIUIG-UHFFFAOYSA-N 1 0 298.224 3.754 40 0 CHABRO CC[C@@H](C(=O)OCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000001710519 567842251 /nfs/dbraw/zinc/84/22/51/567842251.db2.gz LQECUGGXALPWSL-QGZVFWFLSA-N 1 0 289.419 3.646 40 0 CHABRO Cc1cc(C)c(C[NH+](C)C)c(C[C@H](O)c2ccccc2)c1 ZINC000002036537 567844077 /nfs/dbraw/zinc/84/40/77/567844077.db2.gz AATDXFHWKWWEBE-IBGZPJMESA-N 1 0 283.415 3.641 40 0 CHABRO CC[NH+](CC)Cc1c2cccnc2[nH]c1-c1ccco1 ZINC000012222116 567862817 /nfs/dbraw/zinc/86/28/17/567862817.db2.gz YCCQUNOKKVSYOU-UHFFFAOYSA-N 1 0 269.348 3.665 40 0 CHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(C)cc2)on1 ZINC000019210413 567877290 /nfs/dbraw/zinc/87/72/90/567877290.db2.gz ALORKWNBAKCZQS-FUHWJXTLSA-N 1 0 284.403 3.792 40 0 CHABRO Cc1ccc(Oc2ccc3c(c2)C[N@H+](C)CC3)cc1 ZINC000031720564 567885245 /nfs/dbraw/zinc/88/52/45/567885245.db2.gz RSBHKHLSLSYEHV-UHFFFAOYSA-N 1 0 253.345 3.775 40 0 CHABRO CCCCC[C@H](C[NH+](C)C)[C@H](O)/C=C/c1ccccc1 ZINC000033917862 567887113 /nfs/dbraw/zinc/88/71/13/567887113.db2.gz DEETXEARXAKUHP-XNVVNFSMSA-N 1 0 275.436 3.819 40 0 CHABRO CCOC(=O)[C@H](c1ccc2ccccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000606451963 567905866 /nfs/dbraw/zinc/90/58/66/567905866.db2.gz OTQVTBPHZRARTL-ZWKOTPCHSA-N 1 0 297.398 3.629 40 0 CHABRO Cc1ccc(C[N@H+](CCCO)Cc2sccc2C)s1 ZINC000013997330 567912537 /nfs/dbraw/zinc/91/25/37/567912537.db2.gz LQGGUPXQZKVEOA-UHFFFAOYSA-N 1 0 295.473 3.811 40 0 CHABRO CC1=C[C@@H](C)[C@@H](C[N@H+]2CCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000102136232 567915315 /nfs/dbraw/zinc/91/53/15/567915315.db2.gz ZINAYKAEPVIUEM-KLHDSHLOSA-N 1 0 251.414 3.539 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(Br)nc1 ZINC000072211559 567917442 /nfs/dbraw/zinc/91/74/42/567917442.db2.gz RORVVFQIAPPTPP-LBPRGKRZSA-N 1 0 283.213 3.781 40 0 CHABRO c1[nH]c2ccccc2c1[C@H]1CCCC[C@H]1[NH2+]C1CC1 ZINC000072210200 567917873 /nfs/dbraw/zinc/91/78/73/567917873.db2.gz PANGFHOBYNCCJF-RHSMWYFYSA-N 1 0 254.377 3.946 40 0 CHABRO O=c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000072212275 567918149 /nfs/dbraw/zinc/91/81/49/567918149.db2.gz QQZUJZSQCHLLLV-INIZCTEOSA-N 1 0 268.360 3.514 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(NCCC)nc1 ZINC000072213200 567918375 /nfs/dbraw/zinc/91/83/75/567918375.db2.gz FZZBMIACFYVTJE-HNNXBMFYSA-N 1 0 261.413 3.841 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212947 567918396 /nfs/dbraw/zinc/91/83/96/567918396.db2.gz FXQSJNVYRPNRIR-MRXNPFEDSA-N 1 0 275.440 3.862 40 0 CHABRO CC[C@@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072213391 567918784 /nfs/dbraw/zinc/91/87/84/567918784.db2.gz KLGIBIMDMHAGNL-HIFRSBDPSA-N 1 0 261.413 3.837 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213899 567918855 /nfs/dbraw/zinc/91/88/55/567918855.db2.gz JNEGTBDEUGWAEC-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO CC(C)CNc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072213318 567919035 /nfs/dbraw/zinc/91/90/35/567919035.db2.gz ZVFQRABDPDLDLH-MRXNPFEDSA-N 1 0 275.440 3.942 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213803 567919048 /nfs/dbraw/zinc/91/90/48/567919048.db2.gz OFMBPYTWFHKRAU-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N[C@@H](C)CC ZINC000072213395 567919060 /nfs/dbraw/zinc/91/90/60/567919060.db2.gz NORPIJXUDNAOFT-DZGCQCFKSA-N 1 0 261.413 3.839 40 0 CHABRO CC[C@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213536 567919323 /nfs/dbraw/zinc/91/93/23/567919323.db2.gz ZRONWPSXWANAID-DZGCQCFKSA-N 1 0 261.413 3.839 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(NCC(C)C)nc1 ZINC000072213315 567919329 /nfs/dbraw/zinc/91/93/29/567919329.db2.gz UIHGGULBFVLOJS-OAHLLOKOSA-N 1 0 261.413 3.696 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215943 567920513 /nfs/dbraw/zinc/92/05/13/567920513.db2.gz YRGUPBPYDVPSEU-INIZCTEOSA-N 1 0 273.424 3.617 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1c(OC)cccc1OC ZINC000072221425 567921523 /nfs/dbraw/zinc/92/15/23/567921523.db2.gz CPPIRHUPMGLVJS-CYBMUJFWSA-N 1 0 263.381 3.641 40 0 CHABRO Cc1cc([C@@H]2CCC[N@H+]2C(C)C)cnc1N1CCCC1 ZINC000072218799 567921648 /nfs/dbraw/zinc/92/16/48/567921648.db2.gz ZXJPFXXINSJVBZ-INIZCTEOSA-N 1 0 273.424 3.536 40 0 CHABRO Cc1nc(N)ccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218586 567921667 /nfs/dbraw/zinc/92/16/67/567921667.db2.gz YHXULAKSYBDOCC-KRWDZBQOSA-N 1 0 281.403 3.699 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218644 567921697 /nfs/dbraw/zinc/92/16/97/567921697.db2.gz GZMAHCLHTLWKCQ-MRXNPFEDSA-N 1 0 275.440 3.783 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(NC)nc1C ZINC000072219125 567921916 /nfs/dbraw/zinc/92/19/16/567921916.db2.gz YMKFQLWRSKTWRP-HNNXBMFYSA-N 1 0 261.413 3.759 40 0 CHABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CCCCCC1 ZINC000072222494 567922048 /nfs/dbraw/zinc/92/20/48/567922048.db2.gz LYMFPDUYMRWGKA-GOSISDBHSA-N 1 0 295.430 3.819 40 0 CHABRO C[NH2+]Cc1cnc(SC2CCCCC2)c(C)c1 ZINC000072222805 567922074 /nfs/dbraw/zinc/92/20/74/567922074.db2.gz RAISAAUHSMOAHO-UHFFFAOYSA-N 1 0 250.411 3.534 40 0 CHABRO CCC[n+]1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226774648 567929275 /nfs/dbraw/zinc/92/92/75/567929275.db2.gz NNRFJPZWNYRCOZ-UHFFFAOYSA-N 1 0 273.743 3.846 40 0 CHABRO CC[C@@]1(C)C[C@@H]([C@@H](CC[NH3+])c2ccccc2)CCO1 ZINC000004027698 567932386 /nfs/dbraw/zinc/93/23/86/567932386.db2.gz XFYDEOVNLBSXAJ-ULQDDVLXSA-N 1 0 261.409 3.714 40 0 CHABRO Cc1[nH+]c2ccc(Br)cn2c1NC(C)(C)C ZINC000000904197 567936892 /nfs/dbraw/zinc/93/68/92/567936892.db2.gz FNJGDIFUFSECNH-UHFFFAOYSA-N 1 0 282.185 3.616 40 0 CHABRO Fc1ccc(CC[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000016383721 567944296 /nfs/dbraw/zinc/94/42/96/567944296.db2.gz QHAAPROFCQEUBT-UHFFFAOYSA-N 1 0 281.733 3.951 40 0 CHABRO Cc1c(Cl)cccc1NC(=O)C[NH2+]CC1CCCCC1 ZINC000000812208 567948168 /nfs/dbraw/zinc/94/81/68/567948168.db2.gz SHSCPZSMBQIIHE-UHFFFAOYSA-N 1 0 294.826 3.757 40 0 CHABRO CCCC[NH2+]Cc1cccn1-c1ccc(C)cc1C ZINC000223680983 567950233 /nfs/dbraw/zinc/95/02/33/567950233.db2.gz LNLSYZZHDXTQFF-UHFFFAOYSA-N 1 0 256.393 3.984 40 0 CHABRO Cc1c(C[NH3+])c2cc(OC(C)C)ccc2n1CC(C)C ZINC000223756479 567950703 /nfs/dbraw/zinc/95/07/03/567950703.db2.gz ADBKVQKJXWNMHY-UHFFFAOYSA-N 1 0 274.408 3.852 40 0 CHABRO COCCC[NH2+][C@H](C)c1cccc(OC2CCCC2)c1 ZINC000225166815 567952733 /nfs/dbraw/zinc/95/27/33/567952733.db2.gz CVAHMWZBMVZXDI-CQSZACIVSA-N 1 0 277.408 3.695 40 0 CHABRO CC(C)COc1cccc([C@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000225167758 567952735 /nfs/dbraw/zinc/95/27/35/567952735.db2.gz BDFLIQKTEPIHFU-WMLDXEAASA-N 1 0 277.408 3.551 40 0 CHABRO Cc1ccsc1C[N@H+](CCCO)Cc1cccs1 ZINC000013997282 570285214 /nfs/dbraw/zinc/28/52/14/570285214.db2.gz CNWUPWIIOMJKLT-UHFFFAOYSA-N 1 0 281.446 3.503 40 0 CHABRO C[C@H]1CCC[C@H](C)[NH+]1CCCOc1ccccc1C=O ZINC000217790975 230396778 /nfs/dbraw/zinc/39/67/78/230396778.db2.gz OVHLIKDHAZFMQB-GJZGRUSLSA-N 1 0 275.392 3.531 40 0 CHABRO C[C@@H]1CCCC[N@@H+]1CCCCOc1cccc(C=O)c1 ZINC000217794735 230396795 /nfs/dbraw/zinc/39/67/95/230396795.db2.gz BCPZZIWQQIEYOY-OAHLLOKOSA-N 1 0 275.392 3.533 40 0 CHABRO C[C@H]1CCC[C@H](C)[NH+]1CCCCOc1ccc(C=O)cc1 ZINC000217793908 230396803 /nfs/dbraw/zinc/39/68/03/230396803.db2.gz BIRFBPSQXSDJJD-HOTGVXAUSA-N 1 0 289.419 3.921 40 0 CHABRO C[C@@H]([NH3+])COc1c(F)cccc1Oc1ccc(Cl)cc1 ZINC000257279033 190025834 /nfs/dbraw/zinc/02/58/34/190025834.db2.gz OESLPYFXBQIGRM-SNVBAGLBSA-N 1 0 295.741 3.997 40 0 CHABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216102 256712159 /nfs/dbraw/zinc/71/21/59/256712159.db2.gz RNPBKBCUWLXFSK-INIZCTEOSA-N 1 0 273.424 3.617 40 0 CHABRO CCCNc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072213198 256713286 /nfs/dbraw/zinc/71/32/86/256713286.db2.gz FTILUARQIYMTLT-OAHLLOKOSA-N 1 0 261.413 3.696 40 0 CHABRO CCN(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212706 256714400 /nfs/dbraw/zinc/71/44/00/256714400.db2.gz DSSJXQPTAVBGID-GOSISDBHSA-N 1 0 295.430 3.875 40 0 CHABRO CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccco2)CC1 ZINC000004703474 170001727 /nfs/dbraw/zinc/00/17/27/170001727.db2.gz UBKSCQYMVRCTBQ-UHFFFAOYSA-N 1 0 298.430 3.766 40 0 CHABRO Cc1ccccc1NC(=O)[C@@H]([NH2+]C1CCCCC1)C(C)C ZINC000005000442 170052596 /nfs/dbraw/zinc/05/25/96/170052596.db2.gz PYVGUUWPKLATOD-KRWDZBQOSA-N 1 0 288.435 3.880 40 0 CHABRO Cn1cc(C[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000005337994 170087343 /nfs/dbraw/zinc/08/73/43/170087343.db2.gz UBXIJBMEJNLIMK-UHFFFAOYSA-N 1 0 264.372 3.810 40 0 CHABRO CCC1=C(C)CC[N@H+](C)[C@@H]1Cc1ccc(OC)cc1 ZINC000005553077 170112369 /nfs/dbraw/zinc/11/23/69/170112369.db2.gz AHSPWXSKMOGFRH-QGZVFWFLSA-N 1 0 259.393 3.668 40 0 CHABRO C[N@@H+]1CCCO[C@H](c2ccccc2)c2ccsc2CC1 ZINC000005759114 170137765 /nfs/dbraw/zinc/13/77/65/170137765.db2.gz CAGUNSQDJUXDGK-QGZVFWFLSA-N 1 0 287.428 3.732 40 0 CHABRO C[C@@H]1CC(C)(C)NC(c2ccc(C(C)(C)C)cc2)=[NH+]1 ZINC000005763513 170138401 /nfs/dbraw/zinc/13/84/01/170138401.db2.gz JVXRNEHSONZKJO-GFCCVEGCSA-N 1 0 258.409 3.891 40 0 CHABRO CCOc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000008325191 170331565 /nfs/dbraw/zinc/33/15/65/170331565.db2.gz XNQVMEHSUSPDAA-UHFFFAOYSA-N 1 0 285.431 4.000 40 0 CHABRO CCCn1c2ccc(Cl)cc2nc1CCCCC[NH3+] ZINC000037440495 173210452 /nfs/dbraw/zinc/21/04/52/173210452.db2.gz IOMBAWQPFWGPEF-UHFFFAOYSA-N 1 0 279.815 3.771 40 0 CHABRO CCCC[NH2+]Cc1ccc(O[C@H](C)CC)c(OC)c1 ZINC000066182006 175754993 /nfs/dbraw/zinc/75/49/93/175754993.db2.gz MTINXWRTYZPBNG-CYBMUJFWSA-N 1 0 265.397 3.762 40 0 CHABRO Cc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072348567 176373504 /nfs/dbraw/zinc/37/35/04/176373504.db2.gz ADWGYSTZYWEQKD-QGZVFWFLSA-N 1 0 280.415 3.790 40 0 CHABRO C[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359277 176376618 /nfs/dbraw/zinc/37/66/18/176376618.db2.gz SDGDXIDIYWKQDN-UHFFFAOYSA-N 1 0 287.794 3.606 40 0 CHABRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ccnc(C)n2)c1 ZINC000072385062 176389570 /nfs/dbraw/zinc/38/95/70/176389570.db2.gz PLBPCXYIYHYZNY-SFHVURJKSA-N 1 0 297.402 3.521 40 0 CHABRO C[C@@H]1CCC[C@@H](C)N1CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000246794222 261285930 /nfs/dbraw/zinc/28/59/30/261285930.db2.gz RVIVTMWGPRUAIG-KLHDSHLOSA-N 1 0 252.446 3.512 40 0 CHABRO CC[C@@H](C)Nc1nc(N2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000243155837 522236521 /nfs/dbraw/zinc/23/65/21/522236521.db2.gz JPDYBXQEZSDWAZ-CYBMUJFWSA-N 1 0 296.418 3.558 40 0 CHABRO CCNc1cc(N2Cc3ccccc3CC2(C)C)nc(C)[nH+]1 ZINC000329023399 535522203 /nfs/dbraw/zinc/52/22/03/535522203.db2.gz OSPTXGDKTQWFHJ-UHFFFAOYSA-N 1 0 296.418 3.558 40 0 CHABRO CCCNc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072213215 567918177 /nfs/dbraw/zinc/91/81/77/567918177.db2.gz BIYOHDXNXRKWML-OAHLLOKOSA-N 1 0 261.413 3.839 40 0 CHABRO C[NH+](C)CC/C=C1/c2ccc(O)cc2COc2ccccc21 ZINC000065742877 566880406 /nfs/dbraw/zinc/88/04/06/566880406.db2.gz VWDHCVNVAWECNP-IDUWFGFVSA-N 1 0 295.382 3.668 40 0 in-vitro CHABRO Clc1cc(Br)ccc1[C@H]1CCC[NH2+]1 ZINC000037366859 566962451 /nfs/dbraw/zinc/96/24/51/566962451.db2.gz YHDGUUIWUXQBQS-SNVBAGLBSA-N 1 0 260.562 3.527 40 0 CHABRO C[NH2+]C[C@@H]1c2ccccc2CSc2c(OC)cccc21 ZINC000001584863 566992068 /nfs/dbraw/zinc/99/20/68/566992068.db2.gz QUMQGGVPNQOFAT-OAHLLOKOSA-N 1 0 285.412 3.652 40 0 CHABRO COc1ccc2ccccc2c1[C@@H](C[NH3+])N1CCC(C)CC1 ZINC000032073463 567044100 /nfs/dbraw/zinc/04/41/00/567044100.db2.gz RCMQLXXIWTVYLE-QGZVFWFLSA-N 1 0 298.430 3.580 40 0 CHABRO C[NH2+][C@@H](C)CCc1ccc(OCc2ccccc2)cc1 ZINC000034821314 567044419 /nfs/dbraw/zinc/04/44/19/567044419.db2.gz OOVZKECGVZRDCQ-HNNXBMFYSA-N 1 0 269.388 3.806 40 0 CHABRO Clc1cccc(CN2CC[C@H]3[NH2+]CCCC[C@H]32)c1Cl ZINC000019712568 567080665 /nfs/dbraw/zinc/08/06/65/567080665.db2.gz QASQSRMPBLODRI-ZIAGYGMSSA-N 1 0 299.245 3.710 40 0 CHABRO CC[C@H]1[C@@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000000088240 567817775 /nfs/dbraw/zinc/81/77/75/567817775.db2.gz OKNRTYWYWMOJGO-ZSYWTGECSA-N 1 0 281.399 3.849 40 0 CHABRO CC[NH+](CC)CCOc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000001668207 567840601 /nfs/dbraw/zinc/84/06/01/567840601.db2.gz LOQNPEFJQXRRJK-UHFFFAOYSA-N 1 0 295.382 3.619 40 0 CHABRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C(C)(C)CO)cc1 ZINC000001666401 567840772 /nfs/dbraw/zinc/84/07/72/567840772.db2.gz YMUFTSXVUQUZLE-GOSISDBHSA-N 1 0 283.415 3.639 40 0 CHABRO Cc1ccc([N+]2=CN(C)c3ccc(C)cc3C2)cc1 ZINC000001686386 567841327 /nfs/dbraw/zinc/84/13/27/567841327.db2.gz LGBFHALXCLTSSZ-UHFFFAOYSA-N 1 0 251.353 3.626 40 0 CHABRO C[C@H]1CC(C)(C)NC(c2ccc(C(C)(C)C)cc2)=[NH+]1 ZINC000001681486 567841331 /nfs/dbraw/zinc/84/13/31/567841331.db2.gz JVXRNEHSONZKJO-LBPRGKRZSA-N 1 0 258.409 3.891 40 0 CHABRO CC(C)[NH2+]CCCCCNc1ccc(Cl)cc1 ZINC000001687519 567841496 /nfs/dbraw/zinc/84/14/96/567841496.db2.gz ZLAAGDBJZDITSY-UHFFFAOYSA-N 1 0 254.805 3.920 40 0 CHABRO C[C@H]1CCCC[N@@H+]1CCCSC(=O)c1ccccc1 ZINC000001706774 567842210 /nfs/dbraw/zinc/84/22/10/567842210.db2.gz WWWKIGOKQIQJRK-AWEZNQCLSA-N 1 0 277.433 3.825 40 0 CHABRO CC[NH+](CC)C[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000002042526 567844445 /nfs/dbraw/zinc/84/44/45/567844445.db2.gz WHDCMZKMCQFYGL-KRWDZBQOSA-N 1 0 275.436 3.807 40 0 CHABRO C[C@H]1C(O)[C@@H](C)[C@@H](c2cccs2)[NH2+][C@H]1c1cccs1 ZINC000004099756 567854901 /nfs/dbraw/zinc/85/49/01/567854901.db2.gz CPNYMZKNSCYTRC-UCHNKNFPSA-N 1 0 293.457 3.828 40 0 CHABRO COc1ccc(-c2cc([C@@H]3CCCCC[NH2+]3)no2)cc1 ZINC000012185172 567862283 /nfs/dbraw/zinc/86/22/83/567862283.db2.gz SNDXHBVPZYXADZ-AWEZNQCLSA-N 1 0 272.348 3.555 40 0 CHABRO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccc(C)n2)on1 ZINC000019236253 567877271 /nfs/dbraw/zinc/87/72/71/567877271.db2.gz VVLSVDXCHOUFTC-MRXNPFEDSA-N 1 0 285.391 3.804 40 0 CHABRO Cc1nc(Cl)ccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072217904 567890739 /nfs/dbraw/zinc/89/07/39/567890739.db2.gz PXAMAPUTXROFOZ-CYBMUJFWSA-N 1 0 252.789 3.836 40 0 CHABRO CCC[N@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000073636281 567893160 /nfs/dbraw/zinc/89/31/60/567893160.db2.gz RMVJMDQEWVIYFE-UHFFFAOYSA-N 1 0 276.767 3.980 40 0 CHABRO C[C@@H](Cc1ccccc1)[NH2+]C/C=C/c1ccccc1 ZINC000062185972 567897304 /nfs/dbraw/zinc/89/73/04/567897304.db2.gz NMMSKGCUFGCREC-OIQJVACTSA-N 1 0 251.373 3.921 40 0 CHABRO Clc1cc([C@H]2CCC[NH2+]2)ccc1Br ZINC000084199321 567906233 /nfs/dbraw/zinc/90/62/33/567906233.db2.gz AUCPUFDMCZEBQK-SNVBAGLBSA-N 1 0 260.562 3.527 40 0 CHABRO [NH3+]C1(c2cccc3cc(Br)ccc32)CC1 ZINC000258552323 567917260 /nfs/dbraw/zinc/91/72/60/567917260.db2.gz NXZTXKCAGPLDJA-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO COc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211690 567917556 /nfs/dbraw/zinc/91/75/56/567917556.db2.gz IIQADJJBRGAKIV-QGZVFWFLSA-N 1 0 282.387 3.817 40 0 CHABRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211228 567917663 /nfs/dbraw/zinc/91/76/63/567917663.db2.gz GUUZZZDTYVWJBB-KRWDZBQOSA-N 1 0 252.361 3.727 40 0 CHABRO CCN(CC)c1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072212899 567918055 /nfs/dbraw/zinc/91/80/55/567918055.db2.gz OEWXVBAERRMTRZ-INIZCTEOSA-N 1 0 275.440 3.721 40 0 CHABRO CCN(C)c1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072212799 567918619 /nfs/dbraw/zinc/91/86/19/567918619.db2.gz UIZGWMKTAPBOJW-MRXNPFEDSA-N 1 0 275.440 3.721 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213904 567918870 /nfs/dbraw/zinc/91/88/70/567918870.db2.gz ULRGLZRRGOLEMO-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO COc1cc(C)c([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072218039 567919673 /nfs/dbraw/zinc/91/96/73/567919673.db2.gz RQRUZLNFZAGSEI-OAHLLOKOSA-N 1 0 262.397 3.582 40 0 CHABRO CC(C)Sc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072217495 567920235 /nfs/dbraw/zinc/92/02/35/567920235.db2.gz QGUAIHZMVMVIPM-ZDUSSCGKSA-N 1 0 250.411 3.739 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215942 567920306 /nfs/dbraw/zinc/92/03/06/567920306.db2.gz YRGUPBPYDVPSEU-MRXNPFEDSA-N 1 0 273.424 3.617 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217798 567920449 /nfs/dbraw/zinc/92/04/49/567920449.db2.gz ZNHOHOOQWOUIOO-CYBMUJFWSA-N 1 0 252.789 3.980 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072216000 567920458 /nfs/dbraw/zinc/92/04/58/567920458.db2.gz BMQFPJHURSMONU-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217586 567920687 /nfs/dbraw/zinc/92/06/87/567920687.db2.gz CFFJOFAQCMJIDR-OAHLLOKOSA-N 1 0 270.401 4.000 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1SC ZINC000072216947 567921120 /nfs/dbraw/zinc/92/11/20/567921120.db2.gz YQWDNOXRJQFJGA-ZDUSSCGKSA-N 1 0 250.411 3.741 40 0 CHABRO CSc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072216885 567921195 /nfs/dbraw/zinc/92/11/95/567921195.db2.gz GUVOPQBEKLDFGV-ZDUSSCGKSA-N 1 0 250.411 3.596 40 0 CHABRO Cc1cc(=S)[nH]cc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218342 567921249 /nfs/dbraw/zinc/92/12/49/567921249.db2.gz QOXLYJZNVFTJGE-AWEZNQCLSA-N 1 0 264.438 3.862 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(SC)nc1 ZINC000072216887 567921252 /nfs/dbraw/zinc/92/12/52/567921252.db2.gz OHYXVVNRQYZVNA-ZDUSSCGKSA-N 1 0 250.411 3.741 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219162 567921659 /nfs/dbraw/zinc/92/16/59/567921659.db2.gz IMVGAVSCQWYUAC-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219221 567921796 /nfs/dbraw/zinc/92/17/96/567921796.db2.gz GEUJUBKFIPNFNI-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH3+] ZINC000118913471 567927390 /nfs/dbraw/zinc/92/73/90/567927390.db2.gz SXFQJBRXNODJBV-QAZMUZRASA-N 1 0 289.463 3.637 40 0 CHABRO CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000001665864 567937386 /nfs/dbraw/zinc/93/73/86/567937386.db2.gz WUTPZXNDFFUYFZ-SFHVURJKSA-N 1 0 285.387 3.597 40 0 CHABRO [NH3+][C@H](COc1ccccc1)c1cccc2ccccc21 ZINC000019261070 567942969 /nfs/dbraw/zinc/94/29/69/567942969.db2.gz YFAUMLMCDQTERU-GOSISDBHSA-N 1 0 263.340 3.919 40 0 CHABRO CCC[NH2+][C@H](CC)c1ccc(OCC)c(OC)c1 ZINC000222638379 567948847 /nfs/dbraw/zinc/94/88/47/567948847.db2.gz SHQFMMSUWPYTDN-CYBMUJFWSA-N 1 0 251.370 3.545 40 0 CHABRO CCOc1ccc([C@H](CC)[NH2+]CC(C)C)cc1OC ZINC000222638692 567948964 /nfs/dbraw/zinc/94/89/64/567948964.db2.gz WSXRVZNIMYLIGZ-AWEZNQCLSA-N 1 0 265.397 3.791 40 0 CHABRO CCCC[NH2+]Cc1cccn1-c1ccc(C)c(C)c1 ZINC000223682159 567950259 /nfs/dbraw/zinc/95/02/59/567950259.db2.gz OHJXCAXQVFZJSP-UHFFFAOYSA-N 1 0 256.393 3.984 40 0 CHABRO CC[NH2+]Cc1cc(C)n(Cc2ccc(Cl)cc2)c1C ZINC000223664484 567950430 /nfs/dbraw/zinc/95/04/30/567950430.db2.gz OPPJUEAPYXOPGI-UHFFFAOYSA-N 1 0 276.811 3.916 40 0 CHABRO CCCn1c(C)c(C[NH2+]C(C)C)c2cc(O)ccc21 ZINC000223768379 567950538 /nfs/dbraw/zinc/95/05/38/567950538.db2.gz MFVLCCOMADVWGE-UHFFFAOYSA-N 1 0 260.381 3.563 40 0 CHABRO CCCn1c(C)c(C[NH2+]C(C)C)c2cc(OC)ccc21 ZINC000223768824 567950651 /nfs/dbraw/zinc/95/06/51/567950651.db2.gz IEAMIWFPKKUVSX-UHFFFAOYSA-N 1 0 274.408 3.866 40 0 CHABRO CCC[NH2+]Cc1c(C)n(CC)c2ccc(OCC)cc21 ZINC000223766157 567950676 /nfs/dbraw/zinc/95/06/76/567950676.db2.gz YLTCNKIBZWFJHK-UHFFFAOYSA-N 1 0 274.408 3.868 40 0 CHABRO Cc1c(C[NH3+])c2cc(OC(C)C)ccc2n1C(C)C ZINC000223756327 567950768 /nfs/dbraw/zinc/95/07/68/567950768.db2.gz ZFLIXLWWDIXPOO-UHFFFAOYSA-N 1 0 260.381 3.777 40 0 CHABRO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1N ZINC000095097491 570285474 /nfs/dbraw/zinc/28/54/74/570285474.db2.gz BJQNTSVVPCXJNU-CYBMUJFWSA-N 1 0 279.387 3.643 40 0 CHABRO O=C1CC[NH+](C2(c3ccccc3)CCCCC2)CC1 ZINC000001688546 570383616 /nfs/dbraw/zinc/38/36/16/570383616.db2.gz WECCNDJWFKQPSD-UHFFFAOYSA-N 1 0 257.377 3.511 40 0 CHABRO COc1ccc2ccccc2c1[C@H](CN)[N@@H+]1CCC[C@H](C)C1 ZINC000036101584 1118452761 /nfs/dbraw/zinc/45/27/61/1118452761.db2.gz IYHLFVKGPZPWHN-YOEHRIQHSA-N 1 0 298.430 3.580 40 0 CHABRO C=Cn1ccc2c1C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000013568932 1120228375 /nfs/dbraw/zinc/22/83/75/1120228375.db2.gz FAIWHDAYVNRBGS-DOTOQJQBSA-N 1 0 264.372 3.850 40 0 CHABRO [NH3+]CC1(c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000201984203 1122063382 /nfs/dbraw/zinc/06/33/82/1122063382.db2.gz PGGTUNCWXAFOIJ-UHFFFAOYSA-N 1 0 257.299 3.866 40 0 CHABRO C[C@H]1CCCC[N@@H+]1CCCCOc1cccc(C=O)c1 ZINC000217794822 230396755 /nfs/dbraw/zinc/39/67/55/230396755.db2.gz BCPZZIWQQIEYOY-HNNXBMFYSA-N 1 0 275.392 3.533 40 0 CHABRO Clc1ccc(SC2CC[NH2+]CC2)c(Cl)c1 ZINC000083297989 178380260 /nfs/dbraw/zinc/38/02/60/178380260.db2.gz LWNMLBYDNNCFFE-UHFFFAOYSA-N 1 0 262.205 3.838 40 0 CHABRO CC[C@@H](C)Nc1cc(N2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000244420074 136386575 /nfs/dbraw/zinc/38/65/75/136386575.db2.gz YTAZBEXXALZAIB-CYBMUJFWSA-N 1 0 296.418 3.558 40 0 CHABRO CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000225170269 189744783 /nfs/dbraw/zinc/74/47/83/189744783.db2.gz SOKGFMQEYUVEBR-YOEHRIQHSA-N 1 0 277.408 3.695 40 0 CHABRO CCC[n+]1cccc(-c2nc3ccccc3s2)c1 ZINC000226774232 189778267 /nfs/dbraw/zinc/77/82/67/189778267.db2.gz KXGRNQXPGQRDKU-UHFFFAOYSA-N 1 0 255.366 3.661 40 0 CHABRO CCC[n+]1cccc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000226774595 189778552 /nfs/dbraw/zinc/77/85/52/189778552.db2.gz BTSWFIWULGALGX-UHFFFAOYSA-N 1 0 267.352 3.809 40 0 CHABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257303458 190030741 /nfs/dbraw/zinc/03/07/41/190030741.db2.gz SHIKPNBTUMSCHW-AWEZNQCLSA-N 1 0 294.402 3.579 40 0 CHABRO CC[C@@]1(C)C[C@H]([C@@H](CC[NH3+])c2ccccc2)CCO1 ZINC000004027697 184528979 /nfs/dbraw/zinc/52/89/79/184528979.db2.gz XFYDEOVNLBSXAJ-IKGGRYGDSA-N 1 0 261.409 3.714 40 0 CHABRO CCc1ccc(-c2cc(C3(C[NH3+])CCCC3)no2)cc1 ZINC000072220691 256706314 /nfs/dbraw/zinc/70/63/14/256706314.db2.gz PFMUOQDVVGYEHW-UHFFFAOYSA-N 1 0 270.376 3.675 40 0 CHABRO OC1[C@@H]2CCC[C@H]1[C@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000001273298 169693148 /nfs/dbraw/zinc/69/31/48/169693148.db2.gz USAKVYHRWZXKIZ-SWJQRLJCSA-N 1 0 293.410 3.849 40 0 CHABRO O[C@@H](c1cc2c(c3ccccc31)CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000001706372 169746233 /nfs/dbraw/zinc/74/62/33/169746233.db2.gz OBRVSZOCVKHAJH-PMACEKPBSA-N 1 0 295.426 3.894 40 0 CHABRO Cc1ccc2ccccc2c1NC(=O)C[NH+]1CCCCCC1 ZINC000004903212 170039180 /nfs/dbraw/zinc/03/91/80/170039180.db2.gz FNDOXOZWBOXJJU-UHFFFAOYSA-N 1 0 296.414 3.963 40 0 CHABRO CCCC[NH+](CCCC)C[C@@](C)(O)c1ccccc1 ZINC000005551889 170112363 /nfs/dbraw/zinc/11/23/63/170112363.db2.gz ZTEXDCBRMUKYRD-QGZVFWFLSA-N 1 0 263.425 3.796 40 0 CHABRO CCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000005906460 170152903 /nfs/dbraw/zinc/15/29/03/170152903.db2.gz GHUNDTTVRXJVGF-UHFFFAOYSA-N 1 0 285.431 4.000 40 0 CHABRO c1cc2c(s1)[C@H]1CCCC[C@@H]1O[C@]21C[NH+]2CCC1CC2 ZINC000006668058 170224306 /nfs/dbraw/zinc/22/43/06/170224306.db2.gz YOTNJKHOKZAJDD-QRTARXTBSA-N 1 0 289.444 3.725 40 0 CHABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020594508 171263637 /nfs/dbraw/zinc/26/36/37/171263637.db2.gz DDJQFAXXZPWWOV-FSPWUOQZSA-N 1 0 267.372 3.716 40 0 CHABRO CCCOc1ccc(C[NH2+][C@H](C)CC)cc1OCC ZINC000020933307 171280905 /nfs/dbraw/zinc/28/09/05/171280905.db2.gz XCGHHZYDHXPUFP-CYBMUJFWSA-N 1 0 265.397 3.762 40 0 CHABRO O=C(Nc1ccccc1-c1ccccc1)OC1CC[NH2+]CC1 ZINC000034530447 171843448 /nfs/dbraw/zinc/84/34/48/171843448.db2.gz AGZCCVMWUZINGV-UHFFFAOYSA-N 1 0 296.370 3.654 40 0 CHABRO Fc1ccc2oc([C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000035446896 172203407 /nfs/dbraw/zinc/20/34/07/172203407.db2.gz FZZQCFMWHACITQ-AWEZNQCLSA-N 1 0 296.345 3.956 40 0 biogenic,in-vitro CHABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(N)cc1Br ZINC000037515912 173247544 /nfs/dbraw/zinc/24/75/44/173247544.db2.gz FPVDVIKKPOYZMN-GHMZBOCLSA-N 1 0 297.240 3.794 40 0 CHABRO C[N@H+](Cc1ccc(N)cc1Br)C1CCCCC1 ZINC000037515899 173247686 /nfs/dbraw/zinc/24/76/86/173247686.db2.gz ZMDVXKWAAKZYPO-UHFFFAOYSA-N 1 0 297.240 3.796 40 0 CHABRO [NH3+]Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000038072427 174082857 /nfs/dbraw/zinc/08/28/57/174082857.db2.gz FWZOZONFFCDXPP-UHFFFAOYSA-N 1 0 267.250 3.711 40 0 CHABRO C[C@@H](C[NH2+]C1CCCCCCC1)C(=O)OC(C)(C)C ZINC000047219150 175405507 /nfs/dbraw/zinc/40/55/07/175405507.db2.gz PHXWVWIKWISESL-ZDUSSCGKSA-N 1 0 269.429 3.667 40 0 CHABRO c1ccc2[nH]c(CCC[NH2+]CC3CCCCC3)nc2c1 ZINC000062718679 175673513 /nfs/dbraw/zinc/67/35/13/175673513.db2.gz KAJHBVDVAUOQLJ-UHFFFAOYSA-N 1 0 271.408 3.665 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357515 176376374 /nfs/dbraw/zinc/37/63/74/176376374.db2.gz UGDQORHOTIQOQM-QGZVFWFLSA-N 1 0 270.351 3.578 40 0 CHABRO FC(F)(F)c1cccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]2)c1 ZINC000072379960 176386967 /nfs/dbraw/zinc/38/69/67/176386967.db2.gz QBSDTTBSPJPACQ-LBPRGKRZSA-N 1 0 281.281 3.520 40 0 CHABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(C)n2)cc1 ZINC000072379983 176386979 /nfs/dbraw/zinc/38/69/79/176386979.db2.gz VOGIJMSMTGLQJK-SFHVURJKSA-N 1 0 297.402 3.521 40 0 CHABRO CCCC[NH2+][C@@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406088 177338620 /nfs/dbraw/zinc/33/86/20/177338620.db2.gz GKSQFTYJTUKIMQ-HNNXBMFYSA-N 1 0 256.393 3.987 40 0 CHABRO CC[C@H](C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000260571727 327856402 /nfs/dbraw/zinc/85/64/02/327856402.db2.gz BHVLXDWIQYEEEP-JJRVBVJISA-N 1 0 277.408 3.694 40 0 CHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCOc2ccc(C=O)cc2)C1 ZINC000217794098 533798011 /nfs/dbraw/zinc/79/80/11/533798011.db2.gz HAEDRGRMWFMHCG-IYBDPMFKSA-N 1 0 289.419 3.636 40 0 CHABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1CC[C@@H]1CCCC[NH2+]1 ZINC000211625936 566885667 /nfs/dbraw/zinc/88/56/67/566885667.db2.gz RMFTVQFBERWPGY-LSDHHAIUSA-N 1 0 296.455 3.698 40 0 CHABRO CCCCNc1c(C[NH3+])cnc2cc(Cl)ccc21 ZINC000001683338 566996160 /nfs/dbraw/zinc/99/61/60/566996160.db2.gz LKEMVVCLTDWQJE-UHFFFAOYSA-N 1 0 263.772 3.559 40 0 in-vitro CHABRO COc1ccc2c(c1)CC[NH2+][C@@H]2c1ccc(Cl)cc1 ZINC000019625708 566998516 /nfs/dbraw/zinc/99/85/16/566998516.db2.gz RICTYUOVIOEWRA-MRXNPFEDSA-N 1 0 273.763 3.584 40 0 CHABRO CCCCC[C@@H](C(=O)c1ccccc1)[NH+]1CCCC1 ZINC000096024581 567135711 /nfs/dbraw/zinc/13/57/11/567135711.db2.gz DLRWKNLMJAIFQB-INIZCTEOSA-N 1 0 259.393 3.914 40 0 in-vitro CHABRO CC[NH+](CC)[C@H](C)[C@H](O)c1ccc2cccc3c2c1CC3 ZINC000001592043 567838939 /nfs/dbraw/zinc/83/89/39/567838939.db2.gz FXEIPEMCWVHOLS-YJYMSZOUSA-N 1 0 283.415 3.702 40 0 CHABRO CCCC[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001664842 567840434 /nfs/dbraw/zinc/84/04/34/567840434.db2.gz WPONIRRKFDYIEL-ROUUACIJSA-N 1 0 269.388 3.851 40 0 CHABRO O[C@H](c1cccc2cc(Cl)ccc21)[C@H]1CCCC[NH2+]1 ZINC000001655468 567840493 /nfs/dbraw/zinc/84/04/93/567840493.db2.gz UUUVXBQKOPGAGB-HZPDHXFCSA-N 1 0 275.779 3.669 40 0 CHABRO Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]2(O)[C@@H]1CCCC[NH2+]1 ZINC000001668788 567840607 /nfs/dbraw/zinc/84/06/07/567840607.db2.gz GLZCSJATWRPEOC-QFBILLFUSA-N 1 0 287.447 3.606 40 0 CHABRO CC(C)C[NH2+]C[C@@H](O)Cc1ccc(Oc2ccccc2)cc1 ZINC000001672749 567841109 /nfs/dbraw/zinc/84/11/09/567841109.db2.gz OYOADQBFRGBQPZ-KRWDZBQOSA-N 1 0 299.414 3.628 40 0 CHABRO CC[NH+](CC)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001671248 567841170 /nfs/dbraw/zinc/84/11/70/567841170.db2.gz AJVAWAZHINELBV-OALUTQOASA-N 1 0 283.415 3.846 40 0 CHABRO CC[NH+](CC)CCCNc1cccc2ccc(C)nc21 ZINC000001684904 567841466 /nfs/dbraw/zinc/84/14/66/567841466.db2.gz AXFKTWDGWKIQFA-UHFFFAOYSA-N 1 0 271.408 3.687 40 0 CHABRO [NH3+]C12c3ccccc3C(c3ccccc31)c1ccccc12 ZINC000003852388 567853945 /nfs/dbraw/zinc/85/39/45/567853945.db2.gz DJTAMOPOOXTTJD-UHFFFAOYSA-N 1 0 269.347 3.744 40 0 CHABRO C[C@@H]1C(O)[C@@H](C)[C@@H](c2cccs2)[NH2+][C@@H]1c1cccs1 ZINC000004099761 567854827 /nfs/dbraw/zinc/85/48/27/567854827.db2.gz CPNYMZKNSCYTRC-NUZBWSBOSA-N 1 0 293.457 3.828 40 0 CHABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc(C(C)(C)C)no3)C2)c1 ZINC000019234946 567877439 /nfs/dbraw/zinc/87/74/39/567877439.db2.gz WHZHZJXFJUHVRH-OAHLLOKOSA-N 1 0 299.418 3.665 40 0 CHABRO CC(C)c1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccccc1 ZINC000019454263 567878219 /nfs/dbraw/zinc/87/82/19/567878219.db2.gz BRQNYTMTBOCHLP-MAUKXSAKSA-N 1 0 293.414 3.862 40 0 CHABRO C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1 ZINC000031912053 567885625 /nfs/dbraw/zinc/88/56/25/567885625.db2.gz GPPOVAQIFWICMY-INIZCTEOSA-N 1 0 275.779 3.505 40 0 CHABRO Clc1ccc([C@H]2CCC[NH2+]2)cc1Br ZINC000084623591 567906293 /nfs/dbraw/zinc/90/62/93/567906293.db2.gz QMUNUBDQYDYHAV-SNVBAGLBSA-N 1 0 260.562 3.527 40 0 CHABRO Clc1ccc([C@@H]2CCC[NH2+]2)cc1Br ZINC000084623590 567906300 /nfs/dbraw/zinc/90/63/00/567906300.db2.gz QMUNUBDQYDYHAV-JTQLQIEISA-N 1 0 260.562 3.527 40 0 CHABRO CCOc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211829 567917671 /nfs/dbraw/zinc/91/76/71/567917671.db2.gz SMRHPFVMGLYGHO-QGZVFWFLSA-N 1 0 282.387 3.817 40 0 CHABRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211768 567917688 /nfs/dbraw/zinc/91/76/88/567917688.db2.gz BEERZAFPMBKYJD-KRWDZBQOSA-N 1 0 282.387 3.817 40 0 CHABRO Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000072211175 567917765 /nfs/dbraw/zinc/91/77/65/567917765.db2.gz SUJYLZIDRCMMTN-KRWDZBQOSA-N 1 0 252.361 3.727 40 0 CHABRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211229 567917774 /nfs/dbraw/zinc/91/77/74/567917774.db2.gz GUUZZZDTYVWJBB-QGZVFWFLSA-N 1 0 252.361 3.727 40 0 CHABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)cc1 ZINC000072210992 567917893 /nfs/dbraw/zinc/91/78/93/567917893.db2.gz ZGNGBBMEYSSAIL-QGZVFWFLSA-N 1 0 252.361 3.809 40 0 CHABRO Cc1ccnc([C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000072211176 567917937 /nfs/dbraw/zinc/91/79/37/567917937.db2.gz SUJYLZIDRCMMTN-QGZVFWFLSA-N 1 0 252.361 3.727 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212125 567918130 /nfs/dbraw/zinc/91/81/30/567918130.db2.gz HHESBKMRILLWOC-HNNXBMFYSA-N 1 0 254.333 3.641 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212093 567918370 /nfs/dbraw/zinc/91/83/70/567918370.db2.gz PQMLSXFSNYYQLW-QGZVFWFLSA-N 1 0 282.387 3.817 40 0 CHABRO O=c1[nH]cccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212333 567918379 /nfs/dbraw/zinc/91/83/79/567918379.db2.gz ZRJGWUOQUBUWBO-INIZCTEOSA-N 1 0 268.360 3.514 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(NCCC)nc1 ZINC000072213199 567918458 /nfs/dbraw/zinc/91/84/58/567918458.db2.gz FZZBMIACFYVTJE-OAHLLOKOSA-N 1 0 261.413 3.841 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CC)CC)nc1 ZINC000072212854 567918631 /nfs/dbraw/zinc/91/86/31/567918631.db2.gz AWYCWRQBRWEDHG-MRXNPFEDSA-N 1 0 275.440 3.865 40 0 CHABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213957 567919214 /nfs/dbraw/zinc/91/92/14/567919214.db2.gz HDYUWITYBLBAHW-MRXNPFEDSA-N 1 0 273.424 3.981 40 0 CHABRO CN(c1ccccc1)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072214271 567919613 /nfs/dbraw/zinc/91/96/13/567919613.db2.gz BZIADAHDUSVRHP-MRXNPFEDSA-N 1 0 267.376 3.664 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(OC)cc1C ZINC000072218041 567919751 /nfs/dbraw/zinc/91/97/51/567919751.db2.gz YNOFBPFVXZURAW-HNNXBMFYSA-N 1 0 262.397 3.726 40 0 CHABRO Cc1cc([C@H]2CCCC[N@H+]2C(C)C)cnc1Cl ZINC000072217801 567920484 /nfs/dbraw/zinc/92/04/84/567920484.db2.gz WCVGWYCHPQAJLR-CYBMUJFWSA-N 1 0 252.789 3.979 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217905 567920752 /nfs/dbraw/zinc/92/07/52/567920752.db2.gz PHCFOUXQJCTJOS-CYBMUJFWSA-N 1 0 252.789 3.980 40 0 CHABRO Cc1nc(N2CCCC2)ccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072218924 567921474 /nfs/dbraw/zinc/92/14/74/567921474.db2.gz VPIRXTBPXRRIAY-QGZVFWFLSA-N 1 0 287.451 3.783 40 0 CHABRO Cc1cc(N(C)C)ncc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218703 567921639 /nfs/dbraw/zinc/92/16/39/567921639.db2.gz DUNXLKNOYOBJTA-MRXNPFEDSA-N 1 0 275.440 3.639 40 0 CHABRO CNc1ncc([C@H]2CCCC[N@@H+]2CC(C)C)cc1C ZINC000072219003 567921859 /nfs/dbraw/zinc/92/18/59/567921859.db2.gz LTDQLRXZNFJGMA-OAHLLOKOSA-N 1 0 261.413 3.615 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218819 567921918 /nfs/dbraw/zinc/92/19/18/567921918.db2.gz ZFXBBNMIPMTLQX-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1NC(C)(C)C ZINC000072222936 567922368 /nfs/dbraw/zinc/92/23/68/567922368.db2.gz LTWPMTCFBIOUAR-OAHLLOKOSA-N 1 0 269.392 3.649 40 0 CHABRO CC(C)[NH+]1CCN(c2ccc(SC(C)(C)C)cn2)CC1 ZINC000072225623 567922682 /nfs/dbraw/zinc/92/26/82/567922682.db2.gz KMRQEVLOOBQAMR-UHFFFAOYSA-N 1 0 293.480 3.503 40 0 CHABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]C2CCCCC2)CC1 ZINC000238192407 567928407 /nfs/dbraw/zinc/92/84/07/567928407.db2.gz HRKOJZMZCVJXFY-SHTZXODSSA-N 1 0 296.455 3.745 40 0 CHABRO CCC[n+]1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000226774407 567929248 /nfs/dbraw/zinc/92/92/48/567929248.db2.gz WQCCVFAOEKWRGU-UHFFFAOYSA-N 1 0 272.759 3.581 40 0 CHABRO CCC[n+]1ccc(-c2nc3ccccc3s2)cc1 ZINC000226773821 567929281 /nfs/dbraw/zinc/92/92/81/567929281.db2.gz ZJJRFDBNRBHJEZ-UHFFFAOYSA-N 1 0 255.366 3.661 40 0 CHABRO FC(F)(F)c1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311691 567944716 /nfs/dbraw/zinc/94/47/16/567944716.db2.gz BYNJNFGDBBEUEZ-VGPLMAKISA-N 1 0 255.283 3.703 40 0 CHABRO Cc1ccccc1CN(CC[NH+](C)C)Cc1cccs1 ZINC000023247834 567948640 /nfs/dbraw/zinc/94/86/40/567948640.db2.gz LUETYSXTMIBWIJ-UHFFFAOYSA-N 1 0 288.460 3.620 40 0 CHABRO CCCC[NH2+][C@H](CC)c1ccc(OCC)c(OC)c1 ZINC000222638545 567948861 /nfs/dbraw/zinc/94/88/61/567948861.db2.gz BUPLGEJTHLMBNT-CQSZACIVSA-N 1 0 265.397 3.935 40 0 CHABRO C[NH2+]CCCNc1ccnc2c(Cl)cc(Cl)cc12 ZINC000222680690 567949004 /nfs/dbraw/zinc/94/90/04/567949004.db2.gz RSIUKBQQRJVJIR-UHFFFAOYSA-N 1 0 284.190 3.563 40 0 CHABRO CC(C)C[NH2+]Cc1ccn([C@@H](C)c2ccccc2)c1 ZINC000223694809 567950414 /nfs/dbraw/zinc/95/04/14/567950414.db2.gz QEEPJCZOPWDEMT-HNNXBMFYSA-N 1 0 256.393 3.843 40 0 CHABRO CC(C)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000225162449 567952420 /nfs/dbraw/zinc/95/24/20/567952420.db2.gz OKLWYSRAVNDOPU-HUUCEWRRSA-N 1 0 277.408 3.551 40 0 CHABRO CC1(C)C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019366427 570237639 /nfs/dbraw/zinc/23/76/39/570237639.db2.gz KROYEDGOMOKSBK-UHFFFAOYSA-N 1 0 294.442 3.783 40 0 CHABRO [NH3+]C1(c2ccc(Br)c3ccccc32)CC1 ZINC000575628912 570350215 /nfs/dbraw/zinc/35/02/15/570350215.db2.gz GEUZWYHEJFHWES-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO CC(C)[NH+]1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000053146769 1125648641 /nfs/dbraw/zinc/64/86/41/1125648641.db2.gz GYXQBUHLGINWOD-UHFFFAOYSA-N 1 0 288.218 3.685 40 0 CHABRO C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000036818903 1120712068 /nfs/dbraw/zinc/71/20/68/1120712068.db2.gz BFLHNBLUWKEOGU-UHFFFAOYSA-N 1 0 255.239 3.685 40 0 CHABRO [NH3+]C1(c2ccc3ccccc3c2Br)CC1 ZINC000575629460 1125258566 /nfs/dbraw/zinc/25/85/66/1125258566.db2.gz YIKWRJSXILRMSV-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](C(C)C)CO3)CC2)o1 ZINC000096047903 185072331 /nfs/dbraw/zinc/07/23/31/185072331.db2.gz LOGUFWAFNNODDT-OAHLLOKOSA-N 1 0 277.408 3.615 40 0 CHABRO c1ccc(C(OCC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000002583364 169813932 /nfs/dbraw/zinc/81/39/32/169813932.db2.gz BSSMSDMDCCVWTE-UHFFFAOYSA-N 1 0 281.399 3.792 40 0 CHABRO CC[C@@H](C)Oc1ccc([C@H](C)[NH2+]CCCOC)cc1 ZINC000225170107 189744975 /nfs/dbraw/zinc/74/49/75/189744975.db2.gz WOOPXKSILOWVOP-KGLIPLIRSA-N 1 0 265.397 3.551 40 0 CHABRO CC(C)n1nc(C2CC2)cc1C[NH2+]Cc1ccccc1 ZINC000256049903 190002994 /nfs/dbraw/zinc/00/29/94/190002994.db2.gz BXVJDRTUCFDSNO-UHFFFAOYSA-N 1 0 269.392 3.631 40 0 CHABRO C[C@@H]([NH3+])COc1c(F)cccc1Oc1cccc(Cl)c1 ZINC000257200716 190010661 /nfs/dbraw/zinc/01/06/61/190010661.db2.gz AEPQKXRTQUTLIP-SNVBAGLBSA-N 1 0 295.741 3.997 40 0 CHABRO Cc1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1cccc2ncccc12 ZINC000257230854 190016276 /nfs/dbraw/zinc/01/62/76/190016276.db2.gz GEEIKOFVCLWOKP-QGZVFWFLSA-N 1 0 292.386 3.603 40 0 CHABRO Cc1ccsc1C[NH+]1CCC(c2cncc(C)n2)CC1 ZINC000257305555 190030913 /nfs/dbraw/zinc/03/09/13/190030913.db2.gz SQNIDESPSGZXFR-UHFFFAOYSA-N 1 0 287.432 3.535 40 0 CHABRO c1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019373870 184534277 /nfs/dbraw/zinc/53/42/77/184534277.db2.gz BGTSCRBVFFYYHM-DZRGKWQISA-N 1 0 285.431 3.585 40 0 CHABRO COc1ccc(OC)c([C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000072221885 256705740 /nfs/dbraw/zinc/70/57/40/256705740.db2.gz VNCWQGHNWUQNJB-OAHLLOKOSA-N 1 0 263.381 3.639 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1cccnc1SC(C)C ZINC000072217533 256709163 /nfs/dbraw/zinc/70/91/63/256709163.db2.gz KUJSNLZMMNYOPE-ZDUSSCGKSA-N 1 0 250.411 3.739 40 0 CHABRO CN(c1ccccc1)c1ccc(C2=[NH+]CCCC2)cn1 ZINC000072214209 256711650 /nfs/dbraw/zinc/71/16/50/256711650.db2.gz XAAGVLWTERYFDY-UHFFFAOYSA-N 1 0 265.360 3.823 40 0 CHABRO CN(c1ccccc1)c1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072214183 256711882 /nfs/dbraw/zinc/71/18/82/256711882.db2.gz NZTASPBDOPFPFL-MRXNPFEDSA-N 1 0 267.376 3.616 40 0 CHABRO NC(=[NH2+])c1cccc(-c2ccc(-c3ccccc3)o2)c1 ZINC000001758873 169755500 /nfs/dbraw/zinc/75/55/00/169755500.db2.gz AGTWFBRZEUTXOZ-UHFFFAOYSA-N 1 0 262.312 3.898 40 0 CHABRO Cc1ccc2cc(C[NH2+][C@H]3CCCC[C@@H]3C)c(=O)[nH]c2c1 ZINC000004130448 169936510 /nfs/dbraw/zinc/93/65/10/169936510.db2.gz FRGXALQPKZYEGR-BBRMVZONSA-N 1 0 284.403 3.505 40 0 CHABRO C([C@@H]1CO[C@@]2(CC[C@@H]3CCCC[C@@H]3C2)O1)[NH+]1CCCCC1 ZINC000004713522 170003829 /nfs/dbraw/zinc/00/38/29/170003829.db2.gz XBGMCAWJVPHBRD-MLHJIOFPSA-N 1 0 293.451 3.574 40 0 CHABRO c1cnc2c(c1)cccc2OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004731343 170007372 /nfs/dbraw/zinc/00/73/72/170007372.db2.gz YTPGZPIZLZHNLJ-IAGOWNOFSA-N 1 0 296.414 3.878 40 0 biogenic,in-vitro CHABRO C[C@](O)(c1ccccc1)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000004783479 170016243 /nfs/dbraw/zinc/01/62/43/170016243.db2.gz KDFJCXJFHLCCRU-UFYCRDLUSA-N 1 0 295.426 3.820 40 0 CHABRO O[C@H](/C=C\c1ccccc1)CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000004934854 170042395 /nfs/dbraw/zinc/04/23/95/170042395.db2.gz JYGDXORVNYESLN-LZZOGUTLSA-N 1 0 285.431 3.573 40 0 CHABRO CCCCC[C@@H](C[NH+](C)C)[C@H](O)/C=C\c1ccccc1 ZINC000005052729 170061785 /nfs/dbraw/zinc/06/17/85/170061785.db2.gz DEETXEARXAKUHP-OYTYHKKUSA-N 1 0 275.436 3.819 40 0 CHABRO CC[C@@]1(O)C[C@@H]2c3ccccc3CC[N@@H+]2C[C@@H]1CC(C)C ZINC000005063194 170062774 /nfs/dbraw/zinc/06/27/74/170062774.db2.gz RYNPJUSOZNBQIE-QXAKKESOSA-N 1 0 287.447 3.793 40 0 CHABRO CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000007261650 170273853 /nfs/dbraw/zinc/27/38/53/170273853.db2.gz YYEFCWZLUIIWLL-UHFFFAOYSA-N 1 0 262.180 3.892 40 0 CHABRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007539008 170290068 /nfs/dbraw/zinc/29/00/68/170290068.db2.gz FFRRQBGOGMAISU-GFCCVEGCSA-N 1 0 287.359 3.621 40 0 CHABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OC ZINC000008253640 170327022 /nfs/dbraw/zinc/32/70/22/170327022.db2.gz RXDAPKGHRPRWSQ-UHFFFAOYSA-N 1 0 271.788 3.635 40 0 CHABRO [NH3+][C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000019415297 170791299 /nfs/dbraw/zinc/79/12/99/170791299.db2.gz CWFKHNVINSPTMT-ZDUSSCGKSA-N 1 0 251.251 3.754 40 0 CHABRO COc1ccc([C@@H](C[NH+](C)C)C2CCCCC2)cc1 ZINC000022056023 171351176 /nfs/dbraw/zinc/35/11/76/171351176.db2.gz RELISZWQPGCXDE-KRWDZBQOSA-N 1 0 261.409 3.921 40 0 in-vitro CHABRO CC(C)[N@@H+]1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000035446719 172202708 /nfs/dbraw/zinc/20/27/08/172202708.db2.gz PENGICADZKDUAF-JTQLQIEISA-N 1 0 297.324 3.779 40 0 biogenic,in-vitro CHABRO [NH3+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000037392562 173173411 /nfs/dbraw/zinc/17/34/11/173173411.db2.gz YGMAVTXWKJLZEW-UHFFFAOYSA-N 1 0 286.556 3.821 40 0 CHABRO CC1CCN([C@H](C[NH3+])c2cc(Cl)cc(Cl)c2)CC1 ZINC000037424717 173199380 /nfs/dbraw/zinc/19/93/80/173199380.db2.gz BYAKMENAVNZXMC-CQSZACIVSA-N 1 0 287.234 3.725 40 0 CHABRO Clc1ccc(Cl)c(COC[C@@H]2CCCC[NH2+]2)c1 ZINC000072203608 176341541 /nfs/dbraw/zinc/34/15/41/176341541.db2.gz CLTSTSWSWNNNNQ-LBPRGKRZSA-N 1 0 274.191 3.652 40 0 CHABRO Clc1ccc(Cl)c(COCC2CC[NH2+]CC2)c1 ZINC000072203674 176341941 /nfs/dbraw/zinc/34/19/41/176341941.db2.gz HQDFYZKCVQLCTD-UHFFFAOYSA-N 1 0 274.191 3.510 40 0 CHABRO C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072348554 176373586 /nfs/dbraw/zinc/37/35/86/176373586.db2.gz QQFZQZVZFZVBAY-CQSZACIVSA-N 1 0 270.351 3.697 40 0 CHABRO C[N@@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072348552 176373856 /nfs/dbraw/zinc/37/38/56/176373856.db2.gz ARBLLYOSWTUVJU-CYBMUJFWSA-N 1 0 270.351 3.697 40 0 CHABRO C[C@@H]1CCC[C@@H](C)N1CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000114718903 260567043 /nfs/dbraw/zinc/56/70/43/260567043.db2.gz RVIVTMWGPRUAIG-FPCVCCKLSA-N 1 0 252.446 3.512 40 0 CHABRO OC1[C@@H]2CCC[C@H]1[C@@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000002286011 326796758 /nfs/dbraw/zinc/79/67/58/326796758.db2.gz USAKVYHRWZXKIZ-SYBFEITBSA-N 1 0 293.410 3.849 40 0 CHABRO CCCNc1ncc(C[NH2+]C(C)(C)CC(C)(C)C)cn1 ZINC000062717704 333176187 /nfs/dbraw/zinc/17/61/87/333176187.db2.gz MYVYFIPSSYRXOR-UHFFFAOYSA-N 1 0 278.444 3.603 40 0 CHABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCOc1ccccc1C=O ZINC000217796120 533734662 /nfs/dbraw/zinc/73/46/62/533734662.db2.gz YUHRPNBHESYHBU-HZPDHXFCSA-N 1 0 289.419 3.921 40 0 CHABRO CC[NH+](CC)CCOc1cc(C)cc2ccccc21 ZINC000001614872 567839368 /nfs/dbraw/zinc/83/93/68/567839368.db2.gz NITILWRQDYCYOL-UHFFFAOYSA-N 1 0 257.377 3.869 40 0 CHABRO Cc1ccsc1C[N@@H+](Cc1cccs1)C[C@@H](C)O ZINC000013991346 567912298 /nfs/dbraw/zinc/91/22/98/567912298.db2.gz LAEMBVJICWTPIR-GFCCVEGCSA-N 1 0 281.446 3.501 40 0 CHABRO CCSc1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072217181 567920875 /nfs/dbraw/zinc/92/08/75/567920875.db2.gz QYFNRYJOGHHVLV-CYBMUJFWSA-N 1 0 250.411 3.739 40 0 CHABRO c1ccc(Sc2ccc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000072217584 567920100 /nfs/dbraw/zinc/92/01/00/567920100.db2.gz ULKKYRQOXQEGNH-CQSZACIVSA-N 1 0 256.374 3.657 40 0 CHABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(F)cc1 ZINC000012342215 567073054 /nfs/dbraw/zinc/07/30/54/567073054.db2.gz UWBNPVDYTHSVEP-IHRRRGAJSA-N 1 0 293.382 3.634 40 0 CHABRO C(OC1CCCCC1)[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000000035443 567816771 /nfs/dbraw/zinc/81/67/71/567816771.db2.gz DBTLXFQLEFJHCH-GDBMZVCRSA-N 1 0 251.414 3.600 40 0 biogenic,in-vitro CHABRO CC[NH2+]Cc1ccc(OC2CCCC2)c(OCC)c1 ZINC000034815792 567827983 /nfs/dbraw/zinc/82/79/83/567827983.db2.gz UYMMWXOYNLVTTN-UHFFFAOYSA-N 1 0 263.381 3.516 40 0 CHABRO COc1cc2cnc(-c3ccccc3)c(O)c2cc1OC ZINC000001565429 567837861 /nfs/dbraw/zinc/83/78/61/567837861.db2.gz XKRXGOPDRWHCSD-UHFFFAOYSA-N 1 0 281.311 3.625 40 0 CHABRO O=C(c1ccccc1)[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000001555404 567838194 /nfs/dbraw/zinc/83/81/94/567838194.db2.gz PEARTEASXPIIQB-IBGZPJMESA-N 1 0 293.410 3.967 40 0 CHABRO O=C(c1ccccc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000001585572 567838683 /nfs/dbraw/zinc/83/86/83/567838683.db2.gz ZONSOLSUMGWIOY-LJQANCHMSA-N 1 0 293.410 3.824 40 0 CHABRO CC[NH+](CC)CCOC(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000001646514 567839940 /nfs/dbraw/zinc/83/99/40/567839940.db2.gz BJYOURZCFNZUMX-UHFFFAOYSA-N 1 0 291.435 3.727 40 0 CHABRO Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]2(O)[C@H]1CCCC[NH2+]1 ZINC000001668786 567840754 /nfs/dbraw/zinc/84/07/54/567840754.db2.gz GLZCSJATWRPEOC-VQIMIIECSA-N 1 0 287.447 3.606 40 0 CHABRO Cc1ccccc1Cc1cccc(C)c1OCC[NH+](C)C ZINC000001677389 567841174 /nfs/dbraw/zinc/84/11/74/567841174.db2.gz BBWFFXIZYMWKPC-UHFFFAOYSA-N 1 0 283.415 3.835 40 0 CHABRO CC[NH+](CC)CCNc1ccc(Cl)cc1Cl ZINC000001683211 567841263 /nfs/dbraw/zinc/84/12/63/567841263.db2.gz WAEJYDLFFMBWPU-UHFFFAOYSA-N 1 0 261.196 3.747 40 0 CHABRO CCC1=C(C)C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C1 ZINC000001721520 567842584 /nfs/dbraw/zinc/84/25/84/567842584.db2.gz PENYLLAPQCWEOG-MRXNPFEDSA-N 1 0 287.403 3.733 40 0 CHABRO CC(C)C(=O)OC1(C[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC000002048283 567844529 /nfs/dbraw/zinc/84/45/29/567844529.db2.gz CKEBQOGILHINAE-HNNXBMFYSA-N 1 0 281.440 3.763 40 0 CHABRO CNC(=[NH2+])c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003145409 567851800 /nfs/dbraw/zinc/85/18/00/567851800.db2.gz JGOMVXGYTVQPFM-UHFFFAOYSA-N 1 0 262.397 3.532 40 0 CHABRO Oc1cccc([C@@]23CCCC[C@H]2C[N@H+](CC2CC2)CC3)c1 ZINC000003776671 567853406 /nfs/dbraw/zinc/85/34/06/567853406.db2.gz KFIQKMINEHFZSM-HKUYNNGSSA-N 1 0 285.431 3.936 40 0 in-man CHABRO C[C@@H]1C(O)[C@@H](C)[C@@H](c2cccs2)[NH2+][C@H]1c1cccs1 ZINC000004099758 567855152 /nfs/dbraw/zinc/85/51/52/567855152.db2.gz CPNYMZKNSCYTRC-ZRMABJORSA-N 1 0 293.457 3.828 40 0 CHABRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)cc1 ZINC000012154146 567862302 /nfs/dbraw/zinc/86/23/02/567862302.db2.gz YPBUIPGXXNOZAN-SFHVURJKSA-N 1 0 299.418 3.546 40 0 CHABRO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(O)cc2)on1 ZINC000019120267 567877643 /nfs/dbraw/zinc/87/76/43/567877643.db2.gz VHROQJNJJAILJG-INIZCTEOSA-N 1 0 286.375 3.806 40 0 CHABRO c1ccc([C@H]2[C@H]([NH2+]Cc3cccnc3)[C@H]3CCC[C@@H]32)cc1 ZINC000019373735 567877723 /nfs/dbraw/zinc/87/77/23/567877723.db2.gz GWXPQEXEPYMTMU-INDMIFKZSA-N 1 0 278.399 3.754 40 0 CHABRO c1c2cccnc2[nH]c1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000019372002 567877877 /nfs/dbraw/zinc/87/78/77/567877877.db2.gz OGHBOGBOSGIMDF-QGZVFWFLSA-N 1 0 277.371 3.900 40 0 CHABRO Cc1ccccc1Cn1cccc1C[NH2+]CC(C)C ZINC000037696416 567880409 /nfs/dbraw/zinc/88/04/09/567880409.db2.gz RCCUGGKSEVGYEL-UHFFFAOYSA-N 1 0 256.393 3.590 40 0 CHABRO CCCCCC[C@H](CN1CCCC1)[NH+]1CCCC1 ZINC000043752073 567906628 /nfs/dbraw/zinc/90/66/28/567906628.db2.gz BPPURDXHUMCGDJ-MRXNPFEDSA-N 1 0 252.446 3.517 40 0 CHABRO CCOc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072211861 567917489 /nfs/dbraw/zinc/91/74/89/567917489.db2.gz ILNUDXWJUZUNGI-HNNXBMFYSA-N 1 0 262.397 3.663 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211465 567917653 /nfs/dbraw/zinc/91/76/53/567917653.db2.gz NXMZQKFCVOUEDO-CYBMUJFWSA-N 1 0 252.789 3.918 40 0 CHABRO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000072211333 567917795 /nfs/dbraw/zinc/91/77/95/567917795.db2.gz WGQOXVXOBQPHQV-QGZVFWFLSA-N 1 0 252.361 3.727 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(CC)CC ZINC000072212901 567918017 /nfs/dbraw/zinc/91/80/17/567918017.db2.gz ILACHNVAPFDVAQ-MRXNPFEDSA-N 1 0 275.440 3.865 40 0 CHABRO c1ccc(Oc2ccc([C@@H]3CCCC[NH2+]3)cn2)cc1 ZINC000072212151 567918331 /nfs/dbraw/zinc/91/83/31/567918331.db2.gz LPMDCCWZEGVRIN-HNNXBMFYSA-N 1 0 254.333 3.689 40 0 CHABRO CN(C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212622 567918353 /nfs/dbraw/zinc/91/83/53/567918353.db2.gz GETLSQLLUGEROE-SFHVURJKSA-N 1 0 295.430 3.875 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213724 567918909 /nfs/dbraw/zinc/91/89/09/567918909.db2.gz RDIAZRXASJIBCR-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO CC[C@@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072213421 567918920 /nfs/dbraw/zinc/91/89/20/567918920.db2.gz XBZOOGRKJNEXNL-HIFRSBDPSA-N 1 0 261.413 3.839 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214032 567919741 /nfs/dbraw/zinc/91/97/41/567919741.db2.gz IPXXQBCSVKDNDW-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO c1ccc(Nc2ccc(C3=[NH+]CCCC3)cn2)cc1 ZINC000072214089 567919879 /nfs/dbraw/zinc/91/98/79/567919879.db2.gz HILGTOKIBAQHOY-UHFFFAOYSA-N 1 0 251.333 3.798 40 0 CHABRO COc1cc(C)c([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072218005 567920208 /nfs/dbraw/zinc/92/02/08/567920208.db2.gz IHSBZHOZMLNGCR-KRWDZBQOSA-N 1 0 282.387 3.736 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215988 567920289 /nfs/dbraw/zinc/92/02/89/567920289.db2.gz ASMHQXCDBNWZIE-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072216002 567920631 /nfs/dbraw/zinc/92/06/31/567920631.db2.gz RWFJJKPFLDBUNH-MRXNPFEDSA-N 1 0 273.424 3.617 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(=S)[nH]c1C ZINC000072218386 567921189 /nfs/dbraw/zinc/92/11/89/567921189.db2.gz PLIIWULWBBMCPK-ZDUSSCGKSA-N 1 0 250.411 3.616 40 0 CHABRO CCSc1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072217198 567921282 /nfs/dbraw/zinc/92/12/82/567921282.db2.gz SEWFQQDOTVLJDK-ZDUSSCGKSA-N 1 0 250.411 3.741 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218877 567921803 /nfs/dbraw/zinc/92/18/03/567921803.db2.gz YZSNRHOBRDSALU-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1nc(N(C)C)ccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218763 567921937 /nfs/dbraw/zinc/92/19/37/567921937.db2.gz LEHNCYWRCSOTHX-MRXNPFEDSA-N 1 0 275.440 3.639 40 0 CHABRO Cc1cc([C@H](C)[NH3+])cnc1SCc1ccccc1 ZINC000072222416 567922297 /nfs/dbraw/zinc/92/22/97/567922297.db2.gz RFJVAEALJPNKOO-LBPRGKRZSA-N 1 0 258.390 3.702 40 0 CHABRO [NH3+][C@H](c1ccccc1)c1ccc(Oc2ccccc2)nc1 ZINC000072225188 567922522 /nfs/dbraw/zinc/92/25/22/567922522.db2.gz NQBAWANDOBTONJ-GOSISDBHSA-N 1 0 276.339 3.922 40 0 CHABRO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3CC=CC[C@@H]3[C@H]12 ZINC000004026243 567932413 /nfs/dbraw/zinc/93/24/13/567932413.db2.gz OUQFYCOJMMHQMV-FHSNZYRGSA-N 1 0 264.372 3.663 40 0 CHABRO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3CC=CC[C@@H]3[C@@H]12 ZINC000004026242 567932452 /nfs/dbraw/zinc/93/24/52/567932452.db2.gz OUQFYCOJMMHQMV-VBHSOAQHSA-N 1 0 264.372 3.663 40 0 CHABRO CC1=[NH+]n2c3cc(Cl)ccc3nc2[C@@H]2C=CCC=C12 ZINC000001097446 567937258 /nfs/dbraw/zinc/93/72/58/567937258.db2.gz JJOQSCCEZNINCQ-GFCCVEGCSA-N 1 0 269.735 3.730 40 0 CHABRO CCCCCC[C@H](C)[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000001731828 567937470 /nfs/dbraw/zinc/93/74/70/567937470.db2.gz VEOSVJOBGXMFHF-IRXDYDNUSA-N 1 0 293.451 3.683 40 0 CHABRO c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000004315324 567944070 /nfs/dbraw/zinc/94/40/70/567944070.db2.gz MKYUXEIGGMADKP-MRXNPFEDSA-N 1 0 291.398 3.943 40 0 CHABRO CCC[NH2+]Cc1cccn1-c1ccc(Cl)cc1C ZINC000223686138 567950238 /nfs/dbraw/zinc/95/02/38/567950238.db2.gz IVERHIYVNUFEOE-UHFFFAOYSA-N 1 0 262.784 3.939 40 0 CHABRO COCCC[NH2+]Cc1cc(C)n(C2CCCCC2)c1C ZINC000223677103 567950262 /nfs/dbraw/zinc/95/02/62/567950262.db2.gz NCBGFYNLLZKBGC-UHFFFAOYSA-N 1 0 278.440 3.736 40 0 CHABRO CC[NH2+]Cc1c2cc(O[C@@H](C)CC)ccc2n(C)c1C ZINC000223764441 567950754 /nfs/dbraw/zinc/95/07/54/567950754.db2.gz NNJJGBLGCJGXSI-LBPRGKRZSA-N 1 0 274.408 3.774 40 0 CHABRO CC[C@@H](C)Oc1cccc([C@H](C)[NH2+]CCCOC)c1 ZINC000225167035 567952801 /nfs/dbraw/zinc/95/28/01/567952801.db2.gz BSSLLKWLYFGZDA-KGLIPLIRSA-N 1 0 265.397 3.551 40 0 CHABRO CC(C)COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167685 567952859 /nfs/dbraw/zinc/95/28/59/567952859.db2.gz BDFLIQKTEPIHFU-YOEHRIQHSA-N 1 0 277.408 3.551 40 0 CHABRO CCCCOc1ccc(/C=C/c2cc[n+](C)cc2)cc1OC ZINC000001810824 1123168455 /nfs/dbraw/zinc/16/84/55/1123168455.db2.gz SNPCYVKEUKLXAR-VOTSOKGWSA-N 1 0 298.406 3.869 40 0 CHABRO C[C@@H]([NH3+])COc1ccccc1Oc1ccc(Cl)cc1 ZINC000257232877 190017208 /nfs/dbraw/zinc/01/72/08/190017208.db2.gz GMUUQKFPGXZAFS-LLVKDONJSA-N 1 0 277.751 3.858 40 0 CHABRO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cc1 ZINC000257234328 190017339 /nfs/dbraw/zinc/01/73/39/190017339.db2.gz GTAGFRXLSYQFJS-KRWDZBQOSA-N 1 0 267.376 3.512 40 0 CHABRO CN1CC[NH+]=C(c2ccccc2)c2cc(Cl)ccc21 ZINC000000001659 169503088 /nfs/dbraw/zinc/50/30/88/169503088.db2.gz YLCXGBZIZBEVPZ-UHFFFAOYSA-N 1 0 270.763 3.627 40 0 in-man CHABRO C[n+]1cccc([C@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@H]32)c1 ZINC000004025876 184529248 /nfs/dbraw/zinc/52/92/48/184529248.db2.gz RSUINDYISXUKNH-ZSYWTGECSA-N 1 0 284.423 3.868 40 0 CHABRO CC[C@@H]([NH3+])c1cnc(N(C)c2ccccc2)cc1C ZINC000072223350 256704913 /nfs/dbraw/zinc/70/49/13/256704913.db2.gz BBKILCAZJVBQEK-OAHLLOKOSA-N 1 0 255.365 3.568 40 0 CHABRO Cc1cc(N2CCCC2)ncc1[C@H]1CCC[N@H+]1C(C)C ZINC000072218860 256707368 /nfs/dbraw/zinc/70/73/68/256707368.db2.gz IGWTYMXQMZRNKD-MRXNPFEDSA-N 1 0 273.424 3.536 40 0 CHABRO CC(C)(C[NH2+]C1CCCCC1)OC(=O)c1ccccc1 ZINC000001710496 169747675 /nfs/dbraw/zinc/74/76/75/169747675.db2.gz XEHRUQFXKBJXKP-UHFFFAOYSA-N 1 0 275.392 3.544 40 0 CHABRO c1ccc([C@H](CC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000002045640 169771784 /nfs/dbraw/zinc/77/17/84/169771784.db2.gz RVICOCMXZVHRHL-KRWDZBQOSA-N 1 0 266.388 3.699 40 0 in-vitro CHABRO CCCCCCN1c2ccccc2N2CCC[NH+]=C12 ZINC000004859437 170032093 /nfs/dbraw/zinc/03/20/93/170032093.db2.gz DEKARAJCSHYCLR-UHFFFAOYSA-N 1 0 257.381 3.653 40 0 CHABRO C[NH+](C)CC[C@@]1(c2ccccc2)C=Cc2ccccc21 ZINC000005062865 170062476 /nfs/dbraw/zinc/06/24/76/170062476.db2.gz KAQPNQMPHIRKJJ-LJQANCHMSA-N 1 0 263.384 3.951 40 0 in-man CHABRO Cl/C(=C\C=[N+]1CCCC1)c1ccc(Cl)cc1 ZINC000005750131 170136526 /nfs/dbraw/zinc/13/65/26/170136526.db2.gz QAMKNJZJLCNBOH-QPEQYQDCSA-N 1 0 255.168 3.797 40 0 CHABRO CCOc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000005907036 170153206 /nfs/dbraw/zinc/15/32/06/170153206.db2.gz VJJHQTIWUBLSRS-UHFFFAOYSA-N 1 0 285.431 4.000 40 0 CHABRO C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000005910016 170153604 /nfs/dbraw/zinc/15/36/04/170153604.db2.gz QPGHZAPZIXMIKZ-UHFFFAOYSA-N 1 0 261.752 3.638 40 0 CHABRO Cc1ccccc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000005981926 170165383 /nfs/dbraw/zinc/16/53/83/170165383.db2.gz OMAFRBHSLNDHPN-UHFFFAOYSA-N 1 0 294.398 3.843 40 0 CHABRO Cc1ccc(-c2cc[n+]3cc(Cl)ccc3n2)c(C)c1 ZINC000006426234 170200303 /nfs/dbraw/zinc/20/03/03/170200303.db2.gz UENDCYPLWVXOLC-UHFFFAOYSA-N 1 0 269.755 3.758 40 0 CHABRO COc1ccc([C@H](C[NH+](C)C)C2CCCCC2)cc1 ZINC000022056027 171351362 /nfs/dbraw/zinc/35/13/62/171351362.db2.gz RELISZWQPGCXDE-QGZVFWFLSA-N 1 0 261.409 3.921 40 0 in-vitro CHABRO CC1CCN([C@H](C[NH3+])c2ccc(Cl)c(Cl)c2)CC1 ZINC000039142597 174164630 /nfs/dbraw/zinc/16/46/30/174164630.db2.gz GLMIRNAVPZGQJZ-CQSZACIVSA-N 1 0 287.234 3.725 40 0 CHABRO Cc1ccc(CN(Cc2ccc(C)cc2)[C@@H]2CC[NH2+]C2)cc1 ZINC000072203996 176342114 /nfs/dbraw/zinc/34/21/14/176342114.db2.gz VNIRNKLAJDGGAL-HXUWFJFHSA-N 1 0 294.442 3.668 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357516 176376270 /nfs/dbraw/zinc/37/62/70/176376270.db2.gz UGDQORHOTIQOQM-KRWDZBQOSA-N 1 0 270.351 3.578 40 0 CHABRO CC(C)c1[nH]c2ncccc2c1C[NH+]1CCC(C)CC1 ZINC000072393349 176394582 /nfs/dbraw/zinc/39/45/82/176394582.db2.gz MMLCOUIYUWYEOI-UHFFFAOYSA-N 1 0 271.408 3.918 40 0 CHABRO FC(F)(F)Oc1cccc(C[C@@H]2CCCC[NH2+]C2)c1 ZINC000077293302 177250118 /nfs/dbraw/zinc/25/01/18/177250118.db2.gz JLTHLGACDUDISW-LBPRGKRZSA-N 1 0 273.298 3.517 40 0 in-vitro CHABRO CCC[C@H]([NH2+]Cc1cnc(NC(C)C)nc1)c1ccccc1 ZINC000062717636 333175898 /nfs/dbraw/zinc/17/58/98/333175898.db2.gz MBLRDTKBWNOLRH-KRWDZBQOSA-N 1 0 298.434 3.928 40 0 CHABRO CCCNc1ncc(C[NH2+]C2CCCCCCC2)cn1 ZINC000062717705 333176212 /nfs/dbraw/zinc/17/62/12/333176212.db2.gz RRWCVWHYTOHJQW-UHFFFAOYSA-N 1 0 276.428 3.501 40 0 CHABRO C[NH2+]C[C@@H](OC(C)C)c1ccc(Cl)cc1Cl ZINC000062711730 522035481 /nfs/dbraw/zinc/03/54/81/522035481.db2.gz ZEACSUMQHSFARU-GFCCVEGCSA-N 1 0 262.180 3.679 40 0 CHABRO C[NH2+]C[C@H](OC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000062711714 522075452 /nfs/dbraw/zinc/07/54/52/522075452.db2.gz BDLZMVNVCWLPPD-LBPRGKRZSA-N 1 0 262.180 3.679 40 0 CHABRO C[NH+](C)CCc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000065734780 566880376 /nfs/dbraw/zinc/88/03/76/566880376.db2.gz LHERKDDDEMCCCU-UHFFFAOYSA-N 1 0 294.398 3.851 40 0 in-vitro CHABRO [NH3+]CCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000028824114 566933202 /nfs/dbraw/zinc/93/32/02/566933202.db2.gz MCNLIIMMRZOMFX-UHFFFAOYSA-N 1 0 277.799 3.819 40 0 CHABRO [NH3+]Cc1ccc2c(F)cc(Br)cc2c1Cl ZINC000199713128 567049627 /nfs/dbraw/zinc/04/96/27/567049627.db2.gz HQKWGRRAXWOAGB-UHFFFAOYSA-N 1 0 288.547 3.854 40 0 CHABRO [NH3+]C1(c2cccc3ccc(Br)cc32)CC1 ZINC000258644578 567114634 /nfs/dbraw/zinc/11/46/34/567114634.db2.gz UFXGYPGDHFAVOV-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO O=C1CCC[C@@H]1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000217464416 567170252 /nfs/dbraw/zinc/17/02/52/567170252.db2.gz OMWBVERYXPTJQI-SJORKVTESA-N 1 0 271.404 3.800 40 0 CHABRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000000517046 567833212 /nfs/dbraw/zinc/83/32/12/567833212.db2.gz JNVVIQPMHUDYTJ-AWEZNQCLSA-N 1 0 255.361 3.936 40 0 CHABRO CCCCN(CCCC)C(=[NH2+])c1ccc(OC)c(OC)c1 ZINC000001583662 567838771 /nfs/dbraw/zinc/83/87/71/567838771.db2.gz UYQJPPYFYFODDR-UHFFFAOYSA-N 1 0 292.423 3.931 40 0 CHABRO C[N@@H+]1CCC2=C(c3ccccc3)c3ccccc3[C@@H]2C1 ZINC000001595112 567838952 /nfs/dbraw/zinc/83/89/52/567838952.db2.gz JNDASOYIKNULGB-SFHVURJKSA-N 1 0 261.368 3.921 40 0 CHABRO O[C@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 ZINC000001615839 567839428 /nfs/dbraw/zinc/83/94/28/567839428.db2.gz KHKONORVTCGPCB-GRDNDAEWSA-N 1 0 293.838 3.886 40 0 CHABRO CC[C@H](C)[C@@H](C(=O)OCC[NH+](CC)CC)c1ccccc1 ZINC000001649108 567839992 /nfs/dbraw/zinc/83/99/92/567839992.db2.gz LKQUJKDIEHGPLY-DOTOQJQBSA-N 1 0 291.435 3.701 40 0 CHABRO CC[NH+](CC)C[C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000001663905 567840417 /nfs/dbraw/zinc/84/04/17/567840417.db2.gz LYKGLTYXVNAOPD-KRWDZBQOSA-N 1 0 297.442 3.900 40 0 CHABRO COc1ccc([C@H](Cc2ccccc2)[NH2+]C(C)C)cc1 ZINC000001667017 567840812 /nfs/dbraw/zinc/84/08/12/567840812.db2.gz ZHGBQLQLVBPUJF-SFHVURJKSA-N 1 0 269.388 3.977 40 0 CHABRO CC(C)C[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000001706242 567842047 /nfs/dbraw/zinc/84/20/47/567842047.db2.gz VPQZVXHFPVTVSO-UHFFFAOYSA-N 1 0 291.826 3.936 40 0 CHABRO Cc1ccc(Oc2ccc3cc[n+](C)cc3c2)cc1 ZINC000001716205 567842469 /nfs/dbraw/zinc/84/24/69/567842469.db2.gz PMLJNBOKDNPUAK-UHFFFAOYSA-N 1 0 250.321 3.765 40 0 CHABRO c1ccc(CC(Cc2ccccc2)=[N+]2CCCC2)cc1 ZINC000001727814 567842847 /nfs/dbraw/zinc/84/28/47/567842847.db2.gz QSMAAEMOGKFFPC-UHFFFAOYSA-N 1 0 264.392 3.719 40 0 CHABRO c1ccc(Cc2cccc[n+]2Cc2ccccc2)cc1 ZINC000001763716 567843242 /nfs/dbraw/zinc/84/32/42/567843242.db2.gz SGWDPXMORNZDKZ-UHFFFAOYSA-N 1 0 260.360 3.613 40 0 CHABRO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012284622 567862586 /nfs/dbraw/zinc/86/25/86/567862586.db2.gz COBHCYTXHPGGSR-KRWDZBQOSA-N 1 0 294.398 3.537 40 0 CHABRO C[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000014193761 567868767 /nfs/dbraw/zinc/86/87/67/567868767.db2.gz WBAUQFATUPQGAL-NSHDSACASA-N 1 0 268.198 3.681 40 0 CHABRO Cc1nc2ccccc2nc1CC(=[NH2+])c1ccccc1 ZINC000017064329 567874767 /nfs/dbraw/zinc/87/47/67/567874767.db2.gz DGPWSSNOALSWDN-UHFFFAOYSA-N 1 0 261.328 3.549 40 0 CHABRO CCc1nc2ccccc2n1Cc1nc2ccccc2[nH]1 ZINC000023528967 567881910 /nfs/dbraw/zinc/88/19/10/567881910.db2.gz VFLPQGSPLDUGBW-UHFFFAOYSA-N 1 0 276.343 3.523 40 0 CHABRO C[N@H+]1CC=C(c2nc3c(cccc3Cl)s2)CC1 ZINC000073638858 567893655 /nfs/dbraw/zinc/89/36/55/567893655.db2.gz JUAUDJXUYBEPFP-UHFFFAOYSA-N 1 0 264.781 3.669 40 0 CHABRO C#[N+]c1ccc(Br)cc1Br ZINC000055850298 567894620 /nfs/dbraw/zinc/89/46/20/567894620.db2.gz CIDUMWJHFVWWQN-UHFFFAOYSA-N 1 0 260.916 3.762 40 0 CHABRO Fc1cccc(N[C@H]2CCC[NH2+][C@H]2Cc2ccccc2)c1 ZINC000585260827 567910292 /nfs/dbraw/zinc/91/02/92/567910292.db2.gz APJGHSSDPUTXQC-ROUUACIJSA-N 1 0 284.378 3.601 40 0 CHABRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211769 567917546 /nfs/dbraw/zinc/91/75/46/567917546.db2.gz BEERZAFPMBKYJD-QGZVFWFLSA-N 1 0 282.387 3.817 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211904 567917934 /nfs/dbraw/zinc/91/79/34/567917934.db2.gz PXBCMBPYZHHYEH-OAHLLOKOSA-N 1 0 262.397 3.806 40 0 CHABRO CC(C)N(c1ccc([C@@H]2CCCC[NH2+]2)cn1)C(C)C ZINC000072212968 567918311 /nfs/dbraw/zinc/91/83/11/567918311.db2.gz ZWNKSMJLBPIEFF-HNNXBMFYSA-N 1 0 261.413 3.519 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212070 567918321 /nfs/dbraw/zinc/91/83/21/567918321.db2.gz FIQUTTFKMAYIAA-QGZVFWFLSA-N 1 0 282.387 3.817 40 0 CHABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213767 567918779 /nfs/dbraw/zinc/91/87/79/567918779.db2.gz WBMAGXOKSLEVFQ-GOSISDBHSA-N 1 0 293.414 3.993 40 0 CHABRO CC[C@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072213394 567918795 /nfs/dbraw/zinc/91/87/95/567918795.db2.gz KLGIBIMDMHAGNL-DZGCQCFKSA-N 1 0 261.413 3.837 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213902 567918825 /nfs/dbraw/zinc/91/88/25/567918825.db2.gz XRXHOJVCUNHNRM-INIZCTEOSA-N 1 0 273.424 3.839 40 0 CHABRO CC[C@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072213422 567918843 /nfs/dbraw/zinc/91/88/43/567918843.db2.gz XBZOOGRKJNEXNL-ZFWWWQNUSA-N 1 0 261.413 3.839 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213959 567918937 /nfs/dbraw/zinc/91/89/37/567918937.db2.gz MUZGPACWTJGUJA-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214009 567919164 /nfs/dbraw/zinc/91/91/64/567919164.db2.gz VONDLGQMKYSNBC-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213802 567919264 /nfs/dbraw/zinc/91/92/64/567919264.db2.gz OFMBPYTWFHKRAU-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216106 567920115 /nfs/dbraw/zinc/92/01/15/567920115.db2.gz ZUVOQWPMFPTQOJ-KRWDZBQOSA-N 1 0 287.451 3.865 40 0 CHABRO CC(C)Sc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072217496 567920197 /nfs/dbraw/zinc/92/01/97/567920197.db2.gz QGUAIHZMVMVIPM-CYBMUJFWSA-N 1 0 250.411 3.739 40 0 CHABRO Cc1cc([C@@H]2CCCC[N@H+]2CC(C)C)c[nH]c1=S ZINC000072218282 567920958 /nfs/dbraw/zinc/92/09/58/567920958.db2.gz CMWQRSIEFRGMAU-AWEZNQCLSA-N 1 0 264.438 3.862 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1C ZINC000072218399 567921127 /nfs/dbraw/zinc/92/11/27/567921127.db2.gz SJBJHVZIQGJWNC-ZDUSSCGKSA-N 1 0 250.411 3.616 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218266 567921312 /nfs/dbraw/zinc/92/13/12/567921312.db2.gz VNMOGWIENVPLDT-ZDUSSCGKSA-N 1 0 250.411 3.616 40 0 CHABRO S=c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000072216990 567921386 /nfs/dbraw/zinc/92/13/86/567921386.db2.gz ONIYTUUGSULYPD-OAHLLOKOSA-N 1 0 270.401 3.707 40 0 CHABRO CSc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072216964 567921416 /nfs/dbraw/zinc/92/14/16/567921416.db2.gz IKXRTGUYNPYBCK-AWEZNQCLSA-N 1 0 264.438 3.987 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218879 567921559 /nfs/dbraw/zinc/92/15/59/567921559.db2.gz HOSRDVYCYHVWGG-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218705 567921971 /nfs/dbraw/zinc/92/19/71/567921971.db2.gz FXSICGKCPXRCTN-INIZCTEOSA-N 1 0 275.440 3.783 40 0 CHABRO COc1cccc(OC)c1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072221441 567922171 /nfs/dbraw/zinc/92/21/71/567922171.db2.gz WULYAXYJAFCRGZ-AWEZNQCLSA-N 1 0 277.408 3.887 40 0 CHABRO Cc1nc(N2CCCCCC2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224582 567922633 /nfs/dbraw/zinc/92/26/33/567922633.db2.gz JPJZAPVLRVZSAE-IBGZPJMESA-N 1 0 295.430 3.819 40 0 CHABRO C[C@@H]1C[N@@H+](C)C[C@H](C)[C@@]1(O)CCc1ccc2ccccc2c1 ZINC000253603424 567930677 /nfs/dbraw/zinc/93/06/77/567930677.db2.gz KMNOSAADKQHMHJ-CWPLJXCYSA-N 1 0 297.442 3.721 40 0 CHABRO CC[NH+](CC)CCC[C@H](C)Nc1nncc2ccccc21 ZINC000001599086 567937360 /nfs/dbraw/zinc/93/73/60/567937360.db2.gz WWBCBSGACMLEBM-AWEZNQCLSA-N 1 0 286.423 3.552 40 0 CHABRO CCCCCC[C@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000001684137 567937416 /nfs/dbraw/zinc/93/74/16/567937416.db2.gz KEAFRUJUNVFMKI-HNNXBMFYSA-N 1 0 276.424 3.882 40 0 CHABRO CC[NH2+]Cc1cc(C)n(Cc2ccccc2Cl)c1C ZINC000223663910 567950234 /nfs/dbraw/zinc/95/02/34/567950234.db2.gz BJIOKCSITAZTLK-UHFFFAOYSA-N 1 0 276.811 3.916 40 0 CHABRO Cc1cc(C)cc(-n2cccc2C[NH2+]CC(C)C)c1 ZINC000223682879 567950441 /nfs/dbraw/zinc/95/04/41/567950441.db2.gz VZHKANKREVHQDL-UHFFFAOYSA-N 1 0 256.393 3.840 40 0 CHABRO CCCOc1ccc2c(c1)c(C[NH3+])c(C)n2C(C)C ZINC000223756829 567950795 /nfs/dbraw/zinc/95/07/95/567950795.db2.gz MLHQOTFVXARWIY-UHFFFAOYSA-N 1 0 260.381 3.778 40 0 CHABRO C[C@H]1CCC[C@H]([NH+]2CCN(C[C@@H]3CC=CCC3)CC2)C1 ZINC000224087230 567951204 /nfs/dbraw/zinc/95/12/04/567951204.db2.gz PRIBEPJSCZVEBS-KSZLIROESA-N 1 0 276.468 3.539 40 0 CHABRO CCCCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167350 567952856 /nfs/dbraw/zinc/95/28/56/567952856.db2.gz UGDAUCKIQJGURM-YOEHRIQHSA-N 1 0 277.408 3.695 40 0 CHABRO C[C@@H](Cc1ccccc1)[NH2+]C/C=C\c1ccccc1 ZINC000207682734 570299038 /nfs/dbraw/zinc/29/90/38/570299038.db2.gz NMMSKGCUFGCREC-RQPMMQJISA-N 1 0 251.373 3.921 40 0 CHABRO CCOC(=O)[C@H](c1ccc2ccccc2c1)[C@H]1CCCC[NH2+]1 ZINC000575440697 570347419 /nfs/dbraw/zinc/34/74/19/570347419.db2.gz OTQVTBPHZRARTL-QZTJIDSGSA-N 1 0 297.398 3.629 40 0 in-vitro CHABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000054588532 1121294372 /nfs/dbraw/zinc/29/43/72/1121294372.db2.gz ZELGKUMJOLREBI-FUHWJXTLSA-N 1 0 267.372 3.589 40 0 CHABRO CCC[NH2+]Cc1cc(C)n(Cc2ccccc2)c1C ZINC000223661481 1125444205 /nfs/dbraw/zinc/44/42/05/1125444205.db2.gz OFZDQKVYYPTNPM-UHFFFAOYSA-N 1 0 256.393 3.653 40 0 CHABRO O=Cc1cccc(OCCCC[NH+]2CCCCCC2)c1 ZINC000217795222 230396797 /nfs/dbraw/zinc/39/67/97/230396797.db2.gz LXRQEZYJSTWUMX-UHFFFAOYSA-N 1 0 275.392 3.534 40 0 CHABRO Cc1nc(N2Cc3ccccc3C[C@H]2C)cc(NC(C)C)[nH+]1 ZINC000329006755 136377442 /nfs/dbraw/zinc/37/74/42/136377442.db2.gz LEGDZCPYMCIQPR-CYBMUJFWSA-N 1 0 296.418 3.557 40 0 CHABRO C[NH+]1CCC([C@@H]2c3ccccc3CCc3cccnc32)CC1 ZINC000013775750 530050910 /nfs/dbraw/zinc/05/09/10/530050910.db2.gz URXVQALXMZGZCV-LJQANCHMSA-N 1 0 292.426 3.654 40 0 CHABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CC[NH2+]1)CCC2 ZINC000306145927 201845889 /nfs/dbraw/zinc/84/58/89/201845889.db2.gz WCSZPYZDNGOPIG-QGZVFWFLSA-N 1 0 288.391 3.559 40 0 CHABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H]([NH3+])CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118917481 186788679 /nfs/dbraw/zinc/78/86/79/186788679.db2.gz WMEBIWWUBWHAOJ-GCXXXECGSA-N 1 0 291.479 3.717 40 0 CHABRO Cc1nn(C2CCCC2)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000256051674 190003892 /nfs/dbraw/zinc/00/38/92/190003892.db2.gz KDCSZNXCUXOSBP-UHFFFAOYSA-N 1 0 287.382 3.736 40 0 CHABRO Cc1nc([C@]2(C)CCC[N@@H+](CC(C)C)C2)c2sccn12 ZINC000257301432 190030579 /nfs/dbraw/zinc/03/05/79/190030579.db2.gz RYKNEYGQKJDPMA-MRXNPFEDSA-N 1 0 291.464 3.714 40 0 CHABRO Cc1cc(SC2CCCCC2)ncc1[C@H](C)[NH3+] ZINC000072223843 256705331 /nfs/dbraw/zinc/70/53/31/256705331.db2.gz QIUYMZIHKPUKNJ-NSHDSACASA-N 1 0 250.411 3.835 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214004 256711822 /nfs/dbraw/zinc/71/18/22/256711822.db2.gz ZWMHTWULULHERO-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO C[C@](O)(c1ccccc1)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000004783481 170015978 /nfs/dbraw/zinc/01/59/78/170015978.db2.gz KDFJCXJFHLCCRU-ZCNNSNEGSA-N 1 0 295.426 3.820 40 0 CHABRO Cc1ccc2ccccc2c1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000004903220 170038989 /nfs/dbraw/zinc/03/89/89/170038989.db2.gz OPROEDYFLGAFMN-AWEZNQCLSA-N 1 0 296.414 3.819 40 0 CHABRO CC[C@]1(O)C[C@H]2c3ccccc3CC[N@@H+]2C[C@@H]1CC(C)C ZINC000005063195 170062597 /nfs/dbraw/zinc/06/25/97/170062597.db2.gz RYNPJUSOZNBQIE-WDSOQIARSA-N 1 0 287.447 3.793 40 0 CHABRO CCCCOCCOCC[NH+](CCCC)CCCC ZINC000005419510 170097299 /nfs/dbraw/zinc/09/72/99/170097299.db2.gz AQFNSYRAIWFZNU-UHFFFAOYSA-N 1 0 273.461 3.722 40 0 CHABRO CCCOC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000006380578 170196411 /nfs/dbraw/zinc/19/64/11/170196411.db2.gz GRDVFGSDHKMFIS-INIZCTEOSA-N 1 0 275.392 3.557 40 0 CHABRO CCOC(=O)[C@H](C[NH2+]Cc1ccccc1)C1CCCCC1 ZINC000006403458 170198883 /nfs/dbraw/zinc/19/88/83/170198883.db2.gz AJDXXPIOSIREGY-QGZVFWFLSA-N 1 0 289.419 3.536 40 0 CHABRO CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008227239 170325997 /nfs/dbraw/zinc/32/59/97/170325997.db2.gz ARZPEWXZOUVPAE-UHFFFAOYSA-N 1 0 285.387 3.692 40 0 CHABRO CCOCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000008253166 170327038 /nfs/dbraw/zinc/32/70/38/170327038.db2.gz VIRWJKJNIZKIDA-UHFFFAOYSA-N 1 0 262.180 3.510 40 0 CHABRO CCOc1cccc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000008325239 170331470 /nfs/dbraw/zinc/33/14/70/170331470.db2.gz YPIZZVRGUURFHY-UHFFFAOYSA-N 1 0 259.324 3.514 40 0 CHABRO c1cc2cc(C[NH2+]CCc3c[nH]c4ccccc34)ccc2[nH]1 ZINC000015424195 170665908 /nfs/dbraw/zinc/66/59/08/170665908.db2.gz PNDZDYHDZXMHBS-UHFFFAOYSA-N 1 0 289.382 3.982 40 0 CHABRO [NH3+]Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000020224335 171086814 /nfs/dbraw/zinc/08/68/14/171086814.db2.gz AQBDXFSBSYWWKD-UHFFFAOYSA-N 1 0 295.169 3.704 40 0 CHABRO CC(C)(C)OC(=O)Nc1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000022015203 171349775 /nfs/dbraw/zinc/34/97/75/171349775.db2.gz MCNCIBIOWUZPQL-CQSZACIVSA-N 1 0 276.380 3.848 40 0 CHABRO Clc1ccc(COCC2CC[NH2+]CC2)cc1Cl ZINC000028522016 171561383 /nfs/dbraw/zinc/56/13/83/171561383.db2.gz JVEKHUMWCGJDRK-UHFFFAOYSA-N 1 0 274.191 3.510 40 0 CHABRO C[C@H]1CCCN([C@@H](C[NH3+])c2cc(Cl)cc(Cl)c2)C1 ZINC000037424745 173198946 /nfs/dbraw/zinc/19/89/46/173198946.db2.gz FNAYOLSGFCLSAS-HZMBPMFUSA-N 1 0 287.234 3.725 40 0 CHABRO CCOc1cc(C[NH2+]CC(C)C)ccc1OC(C)C ZINC000040728706 174388287 /nfs/dbraw/zinc/38/82/87/174388287.db2.gz ZJQBSLJULLIILG-UHFFFAOYSA-N 1 0 265.397 3.618 40 0 CHABRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+](C)C)cc1 ZINC000072238803 176347273 /nfs/dbraw/zinc/34/72/73/176347273.db2.gz YSGJTIZOEISSTD-UHFFFAOYSA-N 1 0 291.398 3.909 40 0 CHABRO Clc1ccccc1Cc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072343733 176372084 /nfs/dbraw/zinc/37/20/84/176372084.db2.gz CSYIODIYSODKRY-HNNXBMFYSA-N 1 0 272.779 3.750 40 0 CHABRO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072348555 176373618 /nfs/dbraw/zinc/37/36/18/176373618.db2.gz VUHCJFPZTHNUJI-AWEZNQCLSA-N 1 0 282.387 3.566 40 0 CHABRO CCC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000006430911 528517797 /nfs/dbraw/zinc/51/77/97/528517797.db2.gz SLPJJSPSDMBMPM-UHFFFAOYSA-N 1 0 291.416 3.835 40 0 CHABRO [NH3+]C1(c2cccc3c(Br)cccc32)CC1 ZINC000258436171 567917109 /nfs/dbraw/zinc/91/71/09/567917109.db2.gz HEZNMIZNITWAMS-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO CCCNc1ncccc1[C@@H]1CCCC[N@@H+]1CCC ZINC000072213152 567918088 /nfs/dbraw/zinc/91/80/88/567918088.db2.gz VCXJHTFDJVRVOF-HNNXBMFYSA-N 1 0 261.413 3.841 40 0 CHABRO Cc1ccc(Oc2cccc(F)c2OC[C@@H](C)[NH3+])cc1 ZINC000585261708 566829542 /nfs/dbraw/zinc/82/95/42/566829542.db2.gz ZIJIERPBEKZZCH-GFCCVEGCSA-N 1 0 275.323 3.652 40 0 CHABRO C[C@H]1CCC[C@H]([NH+]2CCN(C[C@H]3CC=CCC3)CC2)C1 ZINC000019900122 566924642 /nfs/dbraw/zinc/92/46/42/566924642.db2.gz PRIBEPJSCZVEBS-BZSNNMDCSA-N 1 0 276.468 3.539 40 0 CHABRO Clc1ccc(COC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000028521942 566946104 /nfs/dbraw/zinc/94/61/04/566946104.db2.gz WEVMGEFRWRVDIR-GFCCVEGCSA-N 1 0 274.191 3.652 40 0 CHABRO [NH3+][C@H]1CCCc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c21 ZINC000096511236 567144498 /nfs/dbraw/zinc/14/44/98/567144498.db2.gz MUIJHMWLYQFTOW-JTQLQIEISA-N 1 0 282.174 3.720 40 0 CHABRO Cc1ccc(-c2cc[n+](Cc3ccccc3)cc2)cc1 ZINC000003043546 567157005 /nfs/dbraw/zinc/15/70/05/567157005.db2.gz QAAZLWWQPBMLOQ-UHFFFAOYSA-N 1 0 260.360 3.998 40 0 CHABRO CCC[N@H+](CC)[C@@H](CC)C(=O)Nc1c(C)cccc1C ZINC000000000276 567816586 /nfs/dbraw/zinc/81/65/86/567816586.db2.gz VTUSIVBDOCDNHS-HNNXBMFYSA-N 1 0 276.424 3.752 40 0 world CHABRO C[C@H]1C[C@@]2(C[C@H](C)[N@@H+](C)C[C@@H]2C)Nc2ccccc21 ZINC000000333858 567825692 /nfs/dbraw/zinc/82/56/92/567825692.db2.gz DSXWYDFCIRWJDM-WSMBLCCSSA-N 1 0 258.409 3.705 40 0 CHABRO CC[C@H](O)C[N@H+](C)Cc1cc2c(c3ccccc13)CCCC2 ZINC000001592052 567839083 /nfs/dbraw/zinc/83/90/83/567839083.db2.gz QDDATMKERRMHIA-KRWDZBQOSA-N 1 0 297.442 3.921 40 0 CHABRO COc1ccc(C2([C@@H]3[NH2+]CCC4=C3CCCC4)CC2)cc1 ZINC000001611777 567839385 /nfs/dbraw/zinc/83/93/85/567839385.db2.gz OKPBMVNJXZSMGO-GOSISDBHSA-N 1 0 283.415 3.959 40 0 CHABRO CCN(CC)c1ccc(C[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000001621071 567839637 /nfs/dbraw/zinc/83/96/37/567839637.db2.gz LQZWCVZVPZHHTD-PXNSSMCTSA-N 1 0 295.426 3.981 40 0 CHABRO CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+](C2)[C@@H]31 ZINC000001619757 567839707 /nfs/dbraw/zinc/83/97/07/567839707.db2.gz LRLCVRYKAFDXKU-LKTHJCGVSA-N 1 0 280.415 3.928 40 0 biogenic,in-vitro CHABRO CC[NH+](CC)CCOC1(Cc2ccccn2)CCCCC1 ZINC000001675098 567840911 /nfs/dbraw/zinc/84/09/11/567840911.db2.gz LFZMVWXCLSZWIS-UHFFFAOYSA-N 1 0 290.451 3.685 40 0 CHABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccn12 ZINC000019240706 567877391 /nfs/dbraw/zinc/87/73/91/567877391.db2.gz CUIGKZXKLSJFLD-KRWDZBQOSA-N 1 0 291.398 3.632 40 0 CHABRO c1ccc([C@H]2[C@H]([NH2+]Cc3cccnc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000019373733 567877738 /nfs/dbraw/zinc/87/77/38/567877738.db2.gz GWXPQEXEPYMTMU-WJFTUGDTSA-N 1 0 278.399 3.754 40 0 CHABRO Fc1ccccc1CC[NH2+]Cc1ccccc1Cl ZINC000019912587 567879822 /nfs/dbraw/zinc/87/98/22/567879822.db2.gz GIKZSLIXPVIZRL-UHFFFAOYSA-N 1 0 263.743 3.811 40 0 CHABRO C[n+]1c(C=CNc2ccccc2)ccc2ccccc21 ZINC000027515243 567883039 /nfs/dbraw/zinc/88/30/39/567883039.db2.gz VKAYIEVWCWYMCO-UHFFFAOYSA-O 1 0 261.348 3.747 40 0 CHABRO COc1cccc(C(=O)[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000077028766 567890525 /nfs/dbraw/zinc/89/05/25/567890525.db2.gz LPCUZXHCGXGQPJ-OAHLLOKOSA-N 1 0 297.398 3.646 40 0 CHABRO CCC[N@H+]1CC=C(c2nc3cc(C)cc(C)c3o2)CC1 ZINC000073636278 567892979 /nfs/dbraw/zinc/89/29/79/567892979.db2.gz ZJFSLTUFSPBRTD-UHFFFAOYSA-N 1 0 270.376 3.944 40 0 CHABRO Clc1ccc([C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000084623585 567906248 /nfs/dbraw/zinc/90/62/48/567906248.db2.gz LMURJLTUTXGEFZ-JTQLQIEISA-N 1 0 260.562 3.527 40 0 CHABRO c1[nH]c2ccccc2c1[C@H]1CCCC[C@@H]1[NH2+]C1CC1 ZINC000072210198 567917446 /nfs/dbraw/zinc/91/74/46/567917446.db2.gz PANGFHOBYNCCJF-PBHICJAKSA-N 1 0 254.377 3.946 40 0 CHABRO CCOC(=O)C[C@@H](c1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000072210310 567917779 /nfs/dbraw/zinc/91/77/79/567917779.db2.gz RPTFEHKMIOQHFU-HNNXBMFYSA-N 1 0 295.810 3.820 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211905 567917876 /nfs/dbraw/zinc/91/78/76/567917876.db2.gz PXBCMBPYZHHYEH-HNNXBMFYSA-N 1 0 262.397 3.806 40 0 CHABRO CCN(CC)c1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072212917 567918534 /nfs/dbraw/zinc/91/85/34/567918534.db2.gz JUEIRAGVQPAVOU-MRXNPFEDSA-N 1 0 275.440 3.863 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213842 567919021 /nfs/dbraw/zinc/91/90/21/567919021.db2.gz LZIXCZIKSQVMAM-INIZCTEOSA-N 1 0 273.424 3.839 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213854 567919385 /nfs/dbraw/zinc/91/93/85/567919385.db2.gz YNSLOTZERRBIHA-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214393 567919438 /nfs/dbraw/zinc/91/94/38/567919438.db2.gz GICYPCORBSSIND-CYBMUJFWSA-N 1 0 291.395 3.585 40 0 CHABRO c1ccc(Nc2ccc([C@H]3CCCC[NH2+]3)cn2)cc1 ZINC000072214091 567919601 /nfs/dbraw/zinc/91/96/01/567919601.db2.gz POWJUMXTTWSKDU-OAHLLOKOSA-N 1 0 253.349 3.640 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214092 567919642 /nfs/dbraw/zinc/91/96/42/567919642.db2.gz KQFYUUSNMBEMMT-MRXNPFEDSA-N 1 0 267.376 3.982 40 0 CHABRO CC(C)(C)Sc1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072217433 567919999 /nfs/dbraw/zinc/91/99/99/567919999.db2.gz OGWDRJSSQBNCOJ-LBPRGKRZSA-N 1 0 250.411 3.787 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216657 567920128 /nfs/dbraw/zinc/92/01/28/567920128.db2.gz JSZKNZWRGNWSBD-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216716 567920186 /nfs/dbraw/zinc/92/01/86/567920186.db2.gz NFNINGTYYYOWGT-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216044 567920555 /nfs/dbraw/zinc/92/05/55/567920555.db2.gz QNOUUIAADGOAQS-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072216003 567920761 /nfs/dbraw/zinc/92/07/61/567920761.db2.gz RWFJJKPFLDBUNH-INIZCTEOSA-N 1 0 273.424 3.617 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1SCC ZINC000072217182 567921335 /nfs/dbraw/zinc/92/13/35/567921335.db2.gz NRNJUOHPUWCFMS-CYBMUJFWSA-N 1 0 250.411 3.741 40 0 CHABRO [NH3+][C@@H](c1ccccc1)c1ccc(N2CCCCCC2)nc1 ZINC000072225478 567921814 /nfs/dbraw/zinc/92/18/14/567921814.db2.gz NUQLBPUUHBXNEG-SFHVURJKSA-N 1 0 281.403 3.510 40 0 CHABRO CC[C@@H]([NH3+])c1cnc(N(C)c2ccccc2)c(C)c1 ZINC000072222311 567922291 /nfs/dbraw/zinc/92/22/91/567922291.db2.gz ZQFDJRIRGMHVOA-OAHLLOKOSA-N 1 0 255.365 3.568 40 0 CHABRO CC[C@H]([NH3+])c1ccc(SC2CCCCC2)nc1 ZINC000072225727 567922809 /nfs/dbraw/zinc/92/28/09/567922809.db2.gz ZLHOQDYKWPOVAX-ZDUSSCGKSA-N 1 0 250.411 3.916 40 0 CHABRO Cc1cc2cc(C[NH2+][C@@H]3CCCC[C@@H]3C)c(=O)[nH]c2cc1C ZINC000004130516 567932556 /nfs/dbraw/zinc/93/25/56/567932556.db2.gz ZVFAZZPOEXSAFE-YVEFUNNKSA-N 1 0 298.430 3.813 40 0 CHABRO c1ccc(Cc2cc[n+](Cc3ccccc3)cc2)cc1 ZINC000001558393 567937236 /nfs/dbraw/zinc/93/72/36/567937236.db2.gz AJKQRIKNBKRYEW-UHFFFAOYSA-N 1 0 260.360 3.613 40 0 CHABRO CO[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000004133240 567938112 /nfs/dbraw/zinc/93/81/12/567938112.db2.gz CRUFBTYGTDNZMU-ZACQAIPSSA-N 1 0 259.393 3.611 40 0 CHABRO CCc1c(C)sc(SC)[n+]1-c1ccccc1 ZINC000255189231 567938313 /nfs/dbraw/zinc/93/83/13/567938313.db2.gz OOIDDWMYLFBYSQ-UHFFFAOYSA-N 1 0 250.412 3.618 40 0 CHABRO Cc1ccc(CN(CC[NH+](C)C)Cc2cccs2)s1 ZINC000023247846 567948648 /nfs/dbraw/zinc/94/86/48/567948648.db2.gz JEGOGINYVDHQDE-UHFFFAOYSA-N 1 0 294.489 3.682 40 0 CHABRO CC[C@@H]([NH2+]C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000222636504 567948930 /nfs/dbraw/zinc/94/89/30/567948930.db2.gz BGTBQYSDOSTYME-MRXNPFEDSA-N 1 0 285.387 3.945 40 0 CHABRO CCCC[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000222637660 567949091 /nfs/dbraw/zinc/94/90/91/567949091.db2.gz ZQFRGOZRANTIOF-ZDUSSCGKSA-N 1 0 251.370 3.545 40 0 CHABRO Cc1cccc(-n2cccc2C[NH2+]CC(C)C)c1C ZINC000223680538 567950402 /nfs/dbraw/zinc/95/04/02/567950402.db2.gz AJABZKPIHOBWLN-UHFFFAOYSA-N 1 0 256.393 3.840 40 0 CHABRO CCCC[NH2+]Cc1ccn([C@@H](C)c2ccccc2)c1 ZINC000223694674 567950456 /nfs/dbraw/zinc/95/04/56/567950456.db2.gz ZHGNGKWOZWWSPC-HNNXBMFYSA-N 1 0 256.393 3.987 40 0 CHABRO CCCOc1ccc2c(c1)c(C[NH2+]CC)c(C)n2CC ZINC000223763981 567950727 /nfs/dbraw/zinc/95/07/27/567950727.db2.gz BPYOIOXTESGNRL-UHFFFAOYSA-N 1 0 274.408 3.868 40 0 CHABRO CC[C@H](C)Oc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225162588 567952529 /nfs/dbraw/zinc/95/25/29/567952529.db2.gz AEGZFYICSOOIQG-ZNMIVQPWSA-N 1 0 277.408 3.694 40 0 CHABRO [NH3+]CCc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000011757541 570220110 /nfs/dbraw/zinc/22/01/10/570220110.db2.gz ACJSQJOZWQJLHJ-UHFFFAOYSA-N 1 0 280.396 3.978 40 0 CHABRO Oc1cccc([C@@]23CCCC[C@@H]2C[N@H+](CC2CC2)CC3)c1 ZINC000011678382 570220147 /nfs/dbraw/zinc/22/01/47/570220147.db2.gz KFIQKMINEHFZSM-MJGOQNOKSA-N 1 0 285.431 3.936 40 0 CHABRO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1)C(=O)OC(C)(C)C ZINC000047219108 570237350 /nfs/dbraw/zinc/23/73/50/570237350.db2.gz PFAQPKYRXXXRNK-CABCVRRESA-N 1 0 291.435 3.575 40 0 CHABRO Cc1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000016758583 570353325 /nfs/dbraw/zinc/35/33/25/570353325.db2.gz GZVCYICVYOJEAU-HNNXBMFYSA-N 1 0 293.451 3.539 40 0 CHABRO CC(C)[C@@H]1C[C@@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C ZINC000252492251 570391443 /nfs/dbraw/zinc/39/14/43/570391443.db2.gz MGPYHEWUULDAER-HIFRSBDPSA-N 1 0 290.407 3.856 40 0 CHABRO C[N@@H+]1Cc2ccccc2[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000006169441 1120080674 /nfs/dbraw/zinc/08/06/74/1120080674.db2.gz WRNKIDLXXXIELU-PKOBYXMFSA-N 1 0 274.367 3.670 40 0 CHABRO C[C@H]1CCCN([C@H](C[NH3+])c2cc(Cl)cc(Cl)c2)C1 ZINC000108350031 1120154020 /nfs/dbraw/zinc/15/40/20/1120154020.db2.gz FNAYOLSGFCLSAS-IINYFYTJSA-N 1 0 287.234 3.725 40 0 CHABRO CCN(CC)[PH+](C[Si](C)(C)C)N(CC)CC ZINC000196947323 1128912463 /nfs/dbraw/zinc/91/24/63/1128912463.db2.gz PYOHEPVNVYAOJQ-UHFFFAOYSA-N 1 0 262.454 3.859 40 0 CHABRO C[C@@H]([NH2+][C@H](C)C1CCC(CO)CC1)c1ccccc1 ZINC000214481466 1122862295 /nfs/dbraw/zinc/86/22/95/1122862295.db2.gz RHPKDSFOHSNNGW-LXTOLFJKSA-N 1 0 261.409 3.524 40 0 CHABRO C[C@H]1C[C@H](C)C[NH+](CCCCOc2ccc(C=O)cc2)C1 ZINC000217794188 230396749 /nfs/dbraw/zinc/39/67/49/230396749.db2.gz HAEDRGRMWFMHCG-HOTGVXAUSA-N 1 0 289.419 3.636 40 0 CHABRO C[C@H]1CCCC[N@@H+]1CCCCOc1ccccc1C=O ZINC000217796020 230396760 /nfs/dbraw/zinc/39/67/60/230396760.db2.gz WMIWTTWSWAXQPG-HNNXBMFYSA-N 1 0 275.392 3.533 40 0 CHABRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540972 529374547 /nfs/dbraw/zinc/37/45/47/529374547.db2.gz JKUGUMRUYXRVFE-CHWSQXEVSA-N 1 0 273.376 3.888 40 0 CHABRO C[NH2+]CCCNc1cc(C)nc2c(Cl)c(Cl)ccc12 ZINC000222689160 529971726 /nfs/dbraw/zinc/97/17/26/529971726.db2.gz AWOPBARMTMXJBJ-UHFFFAOYSA-N 1 0 298.217 3.871 40 0 CHABRO c1ccc(C(O[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000002583358 169813922 /nfs/dbraw/zinc/81/39/22/169813922.db2.gz ZVMFVQWWCVDATC-QGZVFWFLSA-N 1 0 267.372 3.545 40 0 CHABRO C[C@H]1CCCC[C@H]1[NH+]1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000224082183 189740926 /nfs/dbraw/zinc/74/09/26/189740926.db2.gz ADQAWJJCVOTDOE-RCCFBDPRSA-N 1 0 276.468 3.539 40 0 CHABRO Cc1cccc(Oc2ccc([C@@H]3CCCC[NH2+]3)cn2)c1 ZINC000257197940 190010063 /nfs/dbraw/zinc/01/00/63/190010063.db2.gz OBLXLISZKREQEI-INIZCTEOSA-N 1 0 268.360 3.997 40 0 CHABRO CC(C)[N@@H+]1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257262231 190022123 /nfs/dbraw/zinc/02/21/23/190022123.db2.gz LKRCAOHABPXQBC-MRXNPFEDSA-N 1 0 288.366 3.950 40 0 CHABRO c1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019373873 184534501 /nfs/dbraw/zinc/53/45/01/184534501.db2.gz BGTSCRBVFFYYHM-HXFGRODQSA-N 1 0 285.431 3.585 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214123 256712197 /nfs/dbraw/zinc/71/21/97/256712197.db2.gz CIIHZEFUUKFYLH-OAHLLOKOSA-N 1 0 253.349 3.592 40 0 CHABRO CCCNc1ncccc1[C@H]1CCCC[N@@H+]1CCC ZINC000072213153 256712778 /nfs/dbraw/zinc/71/27/78/256712778.db2.gz VCXJHTFDJVRVOF-OAHLLOKOSA-N 1 0 261.413 3.841 40 0 CHABRO CC(C)N(c1ccc([C@H]2CCCC[N@@H+]2C)cn1)C(C)C ZINC000072212971 256713828 /nfs/dbraw/zinc/71/38/28/256713828.db2.gz NSIKWAUSYNIPQK-MRXNPFEDSA-N 1 0 275.440 3.862 40 0 CHABRO O=C1[C@@H](C[NH+]2CCCCC2)CCC[C@H]1c1ccccc1 ZINC000001637852 169730917 /nfs/dbraw/zinc/73/09/17/169730917.db2.gz YZZLWLVHJAYMRB-SJORKVTESA-N 1 0 271.404 3.625 40 0 CHABRO CCCCCC[C@H](C)[NH2+]CCOC(=O)c1ccccc1 ZINC000001710509 169747697 /nfs/dbraw/zinc/74/76/97/169747697.db2.gz WGAQQWPWRYEDCJ-HNNXBMFYSA-N 1 0 277.408 3.792 40 0 CHABRO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCCCCC2)CC1 ZINC000002527165 169802812 /nfs/dbraw/zinc/80/28/12/169802812.db2.gz UGNLRZAGDPPVIP-UHFFFAOYSA-N 1 0 296.455 3.698 40 0 CHABRO C[C@@](O)(c1ccccc1)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000004783478 170016029 /nfs/dbraw/zinc/01/60/29/170016029.db2.gz KDFJCXJFHLCCRU-SLFFLAALSA-N 1 0 295.426 3.820 40 0 CHABRO CC[C@@]1(O)C[C@H]2c3ccccc3CC[N@@H+]2C[C@@H]1CC(C)C ZINC000005063196 170062718 /nfs/dbraw/zinc/06/27/18/170062718.db2.gz RYNPJUSOZNBQIE-YTQUADARSA-N 1 0 287.447 3.793 40 0 CHABRO O=C(c1ccccc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000005551458 170112262 /nfs/dbraw/zinc/11/22/62/170112262.db2.gz ZONSOLSUMGWIOY-IBGZPJMESA-N 1 0 293.410 3.824 40 0 CHABRO C[C@H]([NH2+]Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000007519284 170288056 /nfs/dbraw/zinc/28/80/56/170288056.db2.gz AOXHXNXGJDPPBV-ORVZXPRGSA-N 1 0 259.393 3.974 40 0 CHABRO C[N@@H+]1[C@@H](c2ccccc2)CC(O)C[C@H]1c1ccccc1 ZINC000008616952 170343112 /nfs/dbraw/zinc/34/31/12/170343112.db2.gz CVCRCZBXPUGBNK-AYHJJNSGSA-N 1 0 267.372 3.556 40 0 CHABRO CC[C@@H]1CCCC[N@@H+]1CCCOc1ccc(C=O)cc1 ZINC000008731533 170351102 /nfs/dbraw/zinc/35/11/02/170351102.db2.gz FFJLQVVISDKCDX-MRXNPFEDSA-N 1 0 275.392 3.533 40 0 CHABRO Cc1[nH]c2ccc(F)cc2c1/C=C/c1cc[n+](C)cc1 ZINC000009303494 170370793 /nfs/dbraw/zinc/37/07/93/170370793.db2.gz URYVYNCDQSMWSK-UHFFFAOYSA-O 1 0 267.327 3.610 40 0 CHABRO c1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1 ZINC000013472060 170553315 /nfs/dbraw/zinc/55/33/15/170553315.db2.gz XEDYSHNIVSNKMV-UHFFFAOYSA-N 1 0 293.410 3.751 40 0 CHABRO c1ccc(C(N2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000019324196 170775130 /nfs/dbraw/zinc/77/51/30/170775130.db2.gz SBCQLLZYDKXTLE-UHFFFAOYSA-N 1 0 258.409 3.657 40 0 CHABRO CSc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019772825 170857205 /nfs/dbraw/zinc/85/72/05/170857205.db2.gz RITXFPJDTKCQJJ-INIZCTEOSA-N 1 0 255.386 3.644 40 0 CHABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020594506 171263708 /nfs/dbraw/zinc/26/37/08/171263708.db2.gz DDJQFAXXZPWWOV-JEBQAFNWSA-N 1 0 267.372 3.716 40 0 CHABRO CC(C)(C)OC(=O)n1cc([C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000022015024 171349209 /nfs/dbraw/zinc/34/92/09/171349209.db2.gz SEAWAAMMZNLDCH-AWEZNQCLSA-N 1 0 286.375 3.849 40 0 CHABRO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000031938486 171665649 /nfs/dbraw/zinc/66/56/49/171665649.db2.gz JTNBVNQXAVLMMC-SFHVURJKSA-N 1 0 269.388 3.631 40 0 CHABRO CCC[NH2+]Cc1ccc(OCC(C)C)c(OCC)c1 ZINC000034652093 171847025 /nfs/dbraw/zinc/84/70/25/171847025.db2.gz SKTHNFLADYRAOF-UHFFFAOYSA-N 1 0 265.397 3.620 40 0 CHABRO CCOc1cc(C[NH2+]C(C)C)ccc1OCC(C)C ZINC000034651995 171847397 /nfs/dbraw/zinc/84/73/97/171847397.db2.gz FOBRKFRHTNEBQL-UHFFFAOYSA-N 1 0 265.397 3.618 40 0 CHABRO CCC[NH2+]Cc1ccc(O[C@H](C)CC)c(OCC)c1 ZINC000034815812 171869434 /nfs/dbraw/zinc/86/94/34/171869434.db2.gz HZMLTWDSJPPVCN-CYBMUJFWSA-N 1 0 265.397 3.762 40 0 CHABRO COc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000035446751 172202691 /nfs/dbraw/zinc/20/26/91/172202691.db2.gz GCTKASVOCYIKAZ-ZDUSSCGKSA-N 1 0 299.418 3.694 40 0 biogenic,in-vitro CHABRO C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000045302419 175355225 /nfs/dbraw/zinc/35/52/25/175355225.db2.gz ZKFFJBXJJFDBJM-MRVPVSSYSA-N 1 0 274.191 3.953 40 0 in-vitro CHABRO CC(C)c1nc(-c2ccc3c(c2)C[NH2+]CC3)cs1 ZINC000072226555 176343138 /nfs/dbraw/zinc/34/31/38/176343138.db2.gz FUQCXTKKLWTATK-UHFFFAOYSA-N 1 0 258.390 3.579 40 0 CHABRO Clc1ccccc1Cc1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072343732 176372247 /nfs/dbraw/zinc/37/22/47/176372247.db2.gz LRBXEBVGTQGRPW-AWEZNQCLSA-N 1 0 286.806 3.793 40 0 CHABRO Clc1ccc(Cc2cccc(C3CC[NH2+]CC3)n2)cc1 ZINC000072348405 176373346 /nfs/dbraw/zinc/37/33/46/176373346.db2.gz NCGBXNNJCVUCRB-UHFFFAOYSA-N 1 0 286.806 3.793 40 0 CHABRO C[NH2+]C[C@@H](OC(C)C)c1cc(Cl)ccc1Cl ZINC000062711682 522036370 /nfs/dbraw/zinc/03/63/70/522036370.db2.gz DAXVUPUZULQQMA-GFCCVEGCSA-N 1 0 262.180 3.679 40 0 CHABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCOc1ccc(C=O)cc1 ZINC000217790252 533736767 /nfs/dbraw/zinc/73/67/67/533736767.db2.gz PFGDLLKEWPKCDC-HUUCEWRRSA-N 1 0 275.392 3.531 40 0 CHABRO CCCC1(C(=O)OCC[NH+](CC)CC)CCCCC1 ZINC000001719273 567842279 /nfs/dbraw/zinc/84/22/79/567842279.db2.gz RRFROFRULGOMKN-UHFFFAOYSA-N 1 0 269.429 3.622 40 0 CHABRO [NH3+]CCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000044397629 570328018 /nfs/dbraw/zinc/32/80/18/570328018.db2.gz QQOJIXHNYVSDOR-UHFFFAOYSA-N 1 0 256.132 3.755 40 0 CHABRO CC(C)CCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO ZINC000065743336 566880223 /nfs/dbraw/zinc/88/02/23/566880223.db2.gz VFYHIOGWELBGIK-DLBZAZTESA-N 1 0 287.488 3.614 40 0 in-vitro CHABRO CC(C)(C)OC(=O)N1CCCC[C@H]1CC[C@H]1CCCC[NH2+]1 ZINC000211626167 566885158 /nfs/dbraw/zinc/88/51/58/566885158.db2.gz RMFTVQFBERWPGY-CABCVRRESA-N 1 0 296.455 3.698 40 0 CHABRO Clc1ccc(COC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000028521940 566946006 /nfs/dbraw/zinc/94/60/06/566946006.db2.gz WEVMGEFRWRVDIR-LBPRGKRZSA-N 1 0 274.191 3.652 40 0 CHABRO Clc1cccc(Cl)c1COC[C@@H]1CCCC[NH2+]1 ZINC000028521945 566946073 /nfs/dbraw/zinc/94/60/73/566946073.db2.gz GRKGVIAAOONXKX-JTQLQIEISA-N 1 0 274.191 3.652 40 0 CHABRO C(=C/c1ccccc1)\C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000062718648 567109245 /nfs/dbraw/zinc/10/92/45/567109245.db2.gz LJOINUDAHRLTJJ-UXBLZVDNSA-N 1 0 291.398 3.799 40 0 CHABRO CC[NH+](CC)CCNc1cccc2c(SC)ccnc12 ZINC000001591897 567839099 /nfs/dbraw/zinc/83/90/99/567839099.db2.gz PXZJKGBRFSFURW-UHFFFAOYSA-N 1 0 289.448 3.710 40 0 CHABRO C[NH+](C)CCCn1c2ccccc2c2c1CCCCC2 ZINC000001656009 567840372 /nfs/dbraw/zinc/84/03/72/567840372.db2.gz FSHWGTLIMHKLMR-UHFFFAOYSA-N 1 0 270.420 3.862 40 0 CHABRO O[C@H](c1ccccc1)[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000001668057 567840745 /nfs/dbraw/zinc/84/07/45/567840745.db2.gz HUGKXSARDXPQDU-WOJBJXKFSA-N 1 0 295.426 3.817 40 0 CHABRO CC[NH+](CC)CC[C@H](C)[C@H](Cc1cccs1)OC(C)=O ZINC000001671240 567840960 /nfs/dbraw/zinc/84/09/60/567840960.db2.gz YBCGCYGNOGTANZ-BBRMVZONSA-N 1 0 297.464 3.590 40 0 CHABRO O[C@@](C[C@@H]1CCCC[NH2+]1)(c1ccccc1)C1CCCCC1 ZINC000001843166 567843551 /nfs/dbraw/zinc/84/35/51/567843551.db2.gz QUAWNUHPVGFJPP-OALUTQOASA-N 1 0 287.447 3.987 40 0 CHABRO Fc1ccc(-c2cc([C@@H]3CCCCC[NH2+]3)on2)cc1 ZINC000012133658 567862095 /nfs/dbraw/zinc/86/20/95/567862095.db2.gz JQHVNJVSGSWEJX-ZDUSSCGKSA-N 1 0 260.312 3.685 40 0 CHABRO Fc1ccc(-c2cc([C@H]3CCCCC[NH2+]3)on2)cc1 ZINC000012133662 567862335 /nfs/dbraw/zinc/86/23/35/567862335.db2.gz JQHVNJVSGSWEJX-CYBMUJFWSA-N 1 0 260.312 3.685 40 0 CHABRO c1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019373874 567878197 /nfs/dbraw/zinc/87/81/97/567878197.db2.gz BGTSCRBVFFYYHM-GBBGEASQSA-N 1 0 285.431 3.585 40 0 CHABRO ClC(Cl)(Cl)[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000023583907 567881888 /nfs/dbraw/zinc/88/18/88/567881888.db2.gz DPPAKKMPHBZNQA-NSHDSACASA-N 1 0 289.593 3.725 40 0 in-vitro CHABRO CC[N@H+]1CC=C(c2nc3cc(C)cc(C)c3o2)CC1 ZINC000073636004 567893066 /nfs/dbraw/zinc/89/30/66/567893066.db2.gz QPJORPPBUVEDTH-UHFFFAOYSA-N 1 0 256.349 3.554 40 0 CHABRO CCC[N@H+]1CC=C(c2nc3ccc(F)cc3s2)CC1 ZINC000073638885 567893671 /nfs/dbraw/zinc/89/36/71/567893671.db2.gz ZJKBXDFWQHSHPW-UHFFFAOYSA-N 1 0 276.380 3.935 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096215257 567910181 /nfs/dbraw/zinc/91/01/81/567910181.db2.gz WKNRVMJQSOEODR-KRWDZBQOSA-N 1 0 292.492 3.692 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(Br)nc1 ZINC000072211557 567917607 /nfs/dbraw/zinc/91/76/07/567917607.db2.gz YHHIFXGMOKGGGP-LBPRGKRZSA-N 1 0 283.213 3.637 40 0 CHABRO CCOC(=O)C[C@@H](c1ccc(Cl)cc1)[NH+](CC)CC ZINC000072210298 567917849 /nfs/dbraw/zinc/91/78/49/567917849.db2.gz GYGRFRBHVJAAIV-AWEZNQCLSA-N 1 0 283.799 3.676 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213918 567918851 /nfs/dbraw/zinc/91/88/51/567918851.db2.gz JEQSLBQJRUUSGE-MRXNPFEDSA-N 1 0 273.424 3.981 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213784 567918998 /nfs/dbraw/zinc/91/89/98/567918998.db2.gz XTDVAMJHZSCTJI-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213738 567919380 /nfs/dbraw/zinc/91/93/80/567919380.db2.gz AZXVVTDPPRIPGL-OAHLLOKOSA-N 1 0 259.397 3.591 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217406 567919470 /nfs/dbraw/zinc/91/94/70/567919470.db2.gz FKHNWBAOQJNUMU-LBPRGKRZSA-N 1 0 250.411 3.739 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217473 567919700 /nfs/dbraw/zinc/91/97/00/567919700.db2.gz XRFJEEBWVLLLOV-ZDUSSCGKSA-N 1 0 250.411 3.739 40 0 CHABRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000072218066 567920079 /nfs/dbraw/zinc/92/00/79/567920079.db2.gz SKESOOXQXBALIN-QGZVFWFLSA-N 1 0 282.387 3.736 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216058 567920446 /nfs/dbraw/zinc/92/04/46/567920446.db2.gz XUJVSWOCXJNOSD-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO COc1ncc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1C ZINC000072217710 567920641 /nfs/dbraw/zinc/92/06/41/567920641.db2.gz VKFCCANMAIBERQ-KRWDZBQOSA-N 1 0 282.387 3.736 40 0 CHABRO CCSc1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072217184 567920961 /nfs/dbraw/zinc/92/09/61/567920961.db2.gz GAHLGKNYILYNJE-AWEZNQCLSA-N 1 0 264.438 3.987 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1c[nH]c(=S)cc1C ZINC000072218339 567921109 /nfs/dbraw/zinc/92/11/09/567921109.db2.gz SNRKKRXCMHQFNR-ZDUSSCGKSA-N 1 0 250.411 3.616 40 0 CHABRO CNc1cc(C)c([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072219062 567921968 /nfs/dbraw/zinc/92/19/68/567921968.db2.gz CIQFVEIMCYQJQD-HNNXBMFYSA-N 1 0 261.413 3.615 40 0 CHABRO Cc1cc([C@@H](C)[NH3+])cnc1SCc1ccccc1 ZINC000072222415 567922022 /nfs/dbraw/zinc/92/20/22/567922022.db2.gz RFJVAEALJPNKOO-GFCCVEGCSA-N 1 0 258.390 3.702 40 0 CHABRO CC[C@H]([NH3+])c1ccc(N(C)c2ccccc2)nc1C ZINC000072224391 567922589 /nfs/dbraw/zinc/92/25/89/567922589.db2.gz CNOPEWJPWKPGDQ-HNNXBMFYSA-N 1 0 255.365 3.568 40 0 CHABRO Cc1cc(NC(C)(C)C)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223981 567922600 /nfs/dbraw/zinc/92/26/00/567922600.db2.gz WBJQHVXETUCJGM-INIZCTEOSA-N 1 0 269.392 3.649 40 0 CHABRO CC1=[NH+]n2c3cc(Cl)ccc3nc2[C@H]2C=CCC=C12 ZINC000001097447 567937239 /nfs/dbraw/zinc/93/72/39/567937239.db2.gz JJOQSCCEZNINCQ-LBPRGKRZSA-N 1 0 269.735 3.730 40 0 CHABRO C[NH+](C)CCCCNc1ccnc2cc(Cl)ccc21 ZINC000001729567 567937490 /nfs/dbraw/zinc/93/74/90/567937490.db2.gz REEWIYAPXQFEEW-UHFFFAOYSA-N 1 0 277.799 3.642 40 0 CHABRO CCn1c(C)[n+](Cc2ccccc2)c2ccc(Cl)cc21 ZINC000015962414 567944109 /nfs/dbraw/zinc/94/41/09/567944109.db2.gz MORXZDKUZFIOQS-UHFFFAOYSA-N 1 0 285.798 3.959 40 0 CHABRO CC(C)CC[N@@H+]1C[C@@H](C)[C@](O)(c2ccccc2)C[C@H]1C ZINC000003901497 567945782 /nfs/dbraw/zinc/94/57/82/567945782.db2.gz NRNKPUIJZXENIG-NUJGCVRESA-N 1 0 275.436 3.651 40 0 CHABRO CC[NH2+]Cc1cc(C)n(Cc2ccccc2C)c1C ZINC000223662041 567950295 /nfs/dbraw/zinc/95/02/95/567950295.db2.gz JBIIODHREIMYBM-UHFFFAOYSA-N 1 0 256.393 3.571 40 0 CHABRO COCCC[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1 ZINC000225169946 567952818 /nfs/dbraw/zinc/95/28/18/567952818.db2.gz MRXYJNFFQLFUFT-AWEZNQCLSA-N 1 0 277.408 3.695 40 0 CHABRO [NH3+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000059680252 567956114 /nfs/dbraw/zinc/95/61/14/567956114.db2.gz BURZZIKCSZTYFU-UHFFFAOYSA-N 1 0 267.250 3.956 40 0 CHABRO c1c(C[NH+]2CCC(c3ccccc3)CC2)nc2ccccn12 ZINC000016739587 570353285 /nfs/dbraw/zinc/35/32/85/570353285.db2.gz ZRZZRGKNYDTRNW-UHFFFAOYSA-N 1 0 291.398 3.714 40 0 CHABRO Cc1cccc(Oc2ccc([C@H]3CCCC[NH2+]3)cn2)c1 ZINC000257197941 190010059 /nfs/dbraw/zinc/01/00/59/190010059.db2.gz OBLXLISZKREQEI-MRXNPFEDSA-N 1 0 268.360 3.997 40 0 CHABRO CC(C)[N@@H+]1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257262230 190022753 /nfs/dbraw/zinc/02/27/53/190022753.db2.gz LKRCAOHABPXQBC-INIZCTEOSA-N 1 0 288.366 3.950 40 0 CHABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)s1 ZINC000257307193 190031552 /nfs/dbraw/zinc/03/15/52/190031552.db2.gz SXPAADJENOAHFO-AWEZNQCLSA-N 1 0 287.432 3.535 40 0 CHABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)s1 ZINC000257307194 190031181 /nfs/dbraw/zinc/03/11/81/190031181.db2.gz SXPAADJENOAHFO-CQSZACIVSA-N 1 0 287.432 3.535 40 0 CHABRO CC[NH+](CC)CC[C@H](O)c1cccc2ccccc21 ZINC000001700094 169744935 /nfs/dbraw/zinc/74/49/35/169744935.db2.gz VQVAXOOFUIPAAC-KRWDZBQOSA-N 1 0 257.377 3.605 40 0 CHABRO CCCCCC[C@@H](C)[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000001731827 169752176 /nfs/dbraw/zinc/75/21/76/169752176.db2.gz VEOSVJOBGXMFHF-SJORKVTESA-N 1 0 293.451 3.683 40 0 CHABRO Cc1ccc2cc(C[NH2+][C@@H]3CCCC[C@H]3C)c(=O)[nH]c2c1 ZINC000004130449 169936764 /nfs/dbraw/zinc/93/67/64/169936764.db2.gz FRGXALQPKZYEGR-CZUORRHYSA-N 1 0 284.403 3.505 40 0 CHABRO c1ccc(COc2ccccc2C[NH2+]C2CC2)cc1 ZINC000004746617 170011208 /nfs/dbraw/zinc/01/12/08/170011208.db2.gz KDVTZUXJTDAKCP-UHFFFAOYSA-N 1 0 253.345 3.518 40 0 CHABRO CCc1ccc([C@H](O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004934802 170042334 /nfs/dbraw/zinc/04/23/34/170042334.db2.gz VMSXDIVIIRJUEP-JENIJYKNSA-N 1 0 287.447 3.795 40 0 CHABRO C[NH2+]CCC1=C([C@@H](C)c2ccccn2)c2ccccc2C1 ZINC000005141570 170070435 /nfs/dbraw/zinc/07/04/35/170070435.db2.gz DJCOUIHMDYBQRL-AWEZNQCLSA-N 1 0 278.399 3.805 40 0 in-vitro CHABRO C[NH2+]CCC1=C([C@H](C)c2ccccn2)c2ccccc2C1 ZINC000005141760 170070447 /nfs/dbraw/zinc/07/04/47/170070447.db2.gz DJCOUIHMDYBQRL-CQSZACIVSA-N 1 0 278.399 3.805 40 0 in-vitro CHABRO CCCCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006591902 170217485 /nfs/dbraw/zinc/21/74/85/170217485.db2.gz KILALKZLGKPXQT-UHFFFAOYSA-N 1 0 274.408 3.801 40 0 CHABRO CCOc1c(Cl)cc(C[NH2+][C@H](C)CC)cc1OC ZINC000008325897 170331261 /nfs/dbraw/zinc/33/12/61/170331261.db2.gz IDUXLJPHAHNYIS-SNVBAGLBSA-N 1 0 271.788 3.635 40 0 CHABRO CCOc1ccc(Br)cc1C[NH2+][C@@H](C)CC ZINC000008326685 170331307 /nfs/dbraw/zinc/33/13/07/170331307.db2.gz NIFRYWJSKNMIJW-JTQLQIEISA-N 1 0 286.213 3.736 40 0 CHABRO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000009996357 170393421 /nfs/dbraw/zinc/39/34/21/170393421.db2.gz HLUVGDBTIZIQQH-NSHDSACASA-N 1 0 268.198 3.681 40 0 CHABRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1)CCC2 ZINC000022050690 171350826 /nfs/dbraw/zinc/35/08/26/171350826.db2.gz FRXHWVJZKYQAJG-UHFFFAOYSA-N 1 0 297.398 3.652 40 0 in-vitro CHABRO C(=C/c1ccccc1)\CNCC[NH2+]C/C=C\c1ccccc1 ZINC000022795564 171399452 /nfs/dbraw/zinc/39/94/52/171399452.db2.gz OCPXRFLUCJRFJO-MFUUIURDSA-N 1 0 292.426 3.592 40 0 CHABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2cc(Cl)cc(Cl)c2)C1 ZINC000037424743 173199171 /nfs/dbraw/zinc/19/91/71/173199171.db2.gz FNAYOLSGFCLSAS-YGRLFVJLSA-N 1 0 287.234 3.725 40 0 CHABRO [NH3+]Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000038070891 174082097 /nfs/dbraw/zinc/08/20/97/174082097.db2.gz XITIQWONYFISAZ-UHFFFAOYSA-N 1 0 251.251 3.831 40 0 CHABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072348556 176373625 /nfs/dbraw/zinc/37/36/25/176373625.db2.gz VUHCJFPZTHNUJI-CQSZACIVSA-N 1 0 282.387 3.566 40 0 CHABRO C[N@@H+]1CCC[C@@H](c2cnc(-c3ccccc3Cl)cn2)C1 ZINC000072382919 176388341 /nfs/dbraw/zinc/38/83/41/176388341.db2.gz HGACKBMYPPLRHE-GFCCVEGCSA-N 1 0 287.794 3.606 40 0 CHABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3cccnc3[nH]c2C2CC2)C1 ZINC000072393358 176394316 /nfs/dbraw/zinc/39/43/16/176394316.db2.gz XDHNHUSEJYPHFQ-BETUJISGSA-N 1 0 283.419 3.918 40 0 CHABRO C[C@H]1C[C@H](C)C[NH+](Cc2c3cccnc3[nH]c2C2CC2)C1 ZINC000072393359 176394506 /nfs/dbraw/zinc/39/45/06/176394506.db2.gz XDHNHUSEJYPHFQ-STQMWFEESA-N 1 0 283.419 3.918 40 0 CHABRO CC(C)[NH2+]Cc1ccccc1OCCC(F)(F)F ZINC000080936589 260182159 /nfs/dbraw/zinc/18/21/59/260182159.db2.gz BSHWBOKCAZFYQJ-UHFFFAOYSA-N 1 0 261.287 3.516 40 0 CHABRO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540988 529180814 /nfs/dbraw/zinc/18/08/14/529180814.db2.gz JKUGUMRUYXRVFE-STQMWFEESA-N 1 0 273.376 3.888 40 0 CHABRO Brc1cccc(C[NH2+]CCc2ccccc2)c1 ZINC000019919719 567880114 /nfs/dbraw/zinc/88/01/14/567880114.db2.gz KVEARNUHJLTCKJ-UHFFFAOYSA-N 1 0 290.204 3.781 40 0 CHABRO Clc1ccc2oc([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC000049168820 560084811 /nfs/dbraw/zinc/08/48/11/560084811.db2.gz KUXBOIPOYGXCLQ-JTQLQIEISA-N 1 0 276.767 3.823 40 0 biogenic,in-vitro CHABRO CC[C@@H](C)Oc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000062731849 566821976 /nfs/dbraw/zinc/82/19/76/566821976.db2.gz QALXGSIJWSKBGF-CYBMUJFWSA-N 1 0 265.397 3.618 40 0 CHABRO Clc1cccc(Cl)c1COC[C@@H]1CCC[NH2+]C1 ZINC000028521994 566946326 /nfs/dbraw/zinc/94/63/26/566946326.db2.gz SEHFRHBSVAZJOJ-SNVBAGLBSA-N 1 0 274.191 3.510 40 0 CHABRO CC(C)c1ccc(-c2nc(CCC[NH3+])cs2)cc1 ZINC000041348710 566963869 /nfs/dbraw/zinc/96/38/69/566963869.db2.gz BNIAKXHOZNHTTH-UHFFFAOYSA-N 1 0 260.406 3.825 40 0 CHABRO C[n+]1cccc([C@@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@H]32)c1 ZINC000004025877 566974691 /nfs/dbraw/zinc/97/46/91/566974691.db2.gz RSUINDYISXUKNH-RDGPPVDQSA-N 1 0 284.423 3.868 40 0 CHABRO COc1ccc2c(c1)CC[NH2+][C@H]2c1ccc(Cl)cc1 ZINC000019625712 566999462 /nfs/dbraw/zinc/99/94/62/566999462.db2.gz RICTYUOVIOEWRA-INIZCTEOSA-N 1 0 273.763 3.584 40 0 CHABRO COc1ccc2ccccc2c1[C@H](CN)[N@@H+]1CCC[C@@H](C)C1 ZINC000032073455 567043470 /nfs/dbraw/zinc/04/34/70/567043470.db2.gz IYHLFVKGPZPWHN-PBHICJAKSA-N 1 0 298.430 3.580 40 0 CHABRO Clc1cccc(Cl)c1-c1noc(C2CC[NH2+]CC2)n1 ZINC000199783106 567048381 /nfs/dbraw/zinc/04/83/81/567048381.db2.gz YQZQFNNGJIOJMZ-UHFFFAOYSA-N 1 0 298.173 3.510 40 0 CHABRO Cc1ccccc1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000062718666 567109366 /nfs/dbraw/zinc/10/93/66/567109366.db2.gz CBMBDIIMWVWYMX-UHFFFAOYSA-N 1 0 279.387 3.594 40 0 CHABRO C[C@H]1CCCC[C@H]1[NH+]1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019900115 567123502 /nfs/dbraw/zinc/12/35/02/567123502.db2.gz ADQAWJJCVOTDOE-OKZBNKHCSA-N 1 0 276.468 3.539 40 0 CHABRO O[C@H]1c2c(ccc3ccccc32)CC[C@@H]1[NH+]1CCCCC1 ZINC000001569696 567837976 /nfs/dbraw/zinc/83/79/76/567837976.db2.gz BYQHQQHJLPNULE-PKOBYXMFSA-N 1 0 281.399 3.674 40 0 CHABRO CC[N@H+](CCN(C)c1ccccc1)Cc1ccccc1 ZINC000001563639 567838208 /nfs/dbraw/zinc/83/82/08/567838208.db2.gz JZFQOQCPWNUNRX-UHFFFAOYSA-N 1 0 268.404 3.645 40 0 CHABRO CCCCN(CCCC)C(=[NH2+])c1c(OC)cccc1OC ZINC000001583663 567838725 /nfs/dbraw/zinc/83/87/25/567838725.db2.gz GSIKKPOQCRPINJ-UHFFFAOYSA-N 1 0 292.423 3.931 40 0 CHABRO CCN(CC)c1ccc(C[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000001621074 567839710 /nfs/dbraw/zinc/83/97/10/567839710.db2.gz LQZWCVZVPZHHTD-YLJYHZDGSA-N 1 0 295.426 3.981 40 0 CHABRO CCCC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001664840 567840267 /nfs/dbraw/zinc/84/02/67/567840267.db2.gz WPONIRRKFDYIEL-ZWKOTPCHSA-N 1 0 269.388 3.851 40 0 CHABRO CC[NH+](CC)C[C@H](C)OC(=O)Nc1ccccc1Cl ZINC000001668553 567840755 /nfs/dbraw/zinc/84/07/55/567840755.db2.gz MEBCUKJNZWTARW-NSHDSACASA-N 1 0 284.787 3.619 40 0 CHABRO [NH3+][C@@H](Cc1ccccc1)c1cccc2c1CCCC2 ZINC000001669558 567840802 /nfs/dbraw/zinc/84/08/02/567840802.db2.gz KIYWAEQRGIWVLV-SFHVURJKSA-N 1 0 251.373 3.808 40 0 CHABRO CC(C)C1CCC2(CC1)CCN(CCC[NH+](C)C)CC2 ZINC000001667787 567840860 /nfs/dbraw/zinc/84/08/60/567840860.db2.gz FMRAXIRZCYGJPT-UHFFFAOYSA-N 1 0 280.500 3.867 40 0 CHABRO CC[NH+](CC)CCO[C@@H]1CCCC[C@@H]1Cc1ccccn1 ZINC000001675102 567840899 /nfs/dbraw/zinc/84/08/99/567840899.db2.gz FZAOVOGLQIIWGX-SJLPKXTDSA-N 1 0 290.451 3.541 40 0 CHABRO COc1ccc2c(ccc3c2CC[C@@]2(C)CC[NH+]=C32)c1 ZINC000001725925 567842789 /nfs/dbraw/zinc/84/27/89/567842789.db2.gz ZACAJAJLRYUXFS-SFHVURJKSA-N 1 0 265.356 3.994 40 0 CHABRO O[C@H](/C=C/c1ccccc1)CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000017378386 567875740 /nfs/dbraw/zinc/87/57/40/567875740.db2.gz JYGDXORVNYESLN-PEEKWUTASA-N 1 0 285.431 3.573 40 0 CHABRO CCCn1c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1C ZINC000028515307 567883757 /nfs/dbraw/zinc/88/37/57/567883757.db2.gz LQFWBPPVGCCXKA-AWEZNQCLSA-N 1 0 271.408 3.821 40 0 CHABRO c1cc(SC2CCCCC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072217223 567890660 /nfs/dbraw/zinc/89/06/60/567890660.db2.gz CCDAXIIBNCZCJU-AWEZNQCLSA-N 1 0 262.422 3.931 40 0 CHABRO Cc1cc2sc(C3=CC[N@H+](C)CC3)nc2c(C)c1 ZINC000073638453 567893499 /nfs/dbraw/zinc/89/34/99/567893499.db2.gz KLROZOHFJALWMT-UHFFFAOYSA-N 1 0 258.390 3.632 40 0 CHABRO CCOC(=O)[C@@H](c1ccc2ccccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000606451962 567905852 /nfs/dbraw/zinc/90/58/52/567905852.db2.gz OTQVTBPHZRARTL-ROUUACIJSA-N 1 0 297.398 3.629 40 0 CHABRO Clc1ccc(Br)c([C@H]2CCC[NH2+]2)c1 ZINC000084623596 567906259 /nfs/dbraw/zinc/90/62/59/567906259.db2.gz MDNASMVGOMKAHN-SNVBAGLBSA-N 1 0 260.562 3.527 40 0 CHABRO Cc1[nH+]c(-c2cccc(Br)c2)c(N)n1C1CC1 ZINC000100761342 567913818 /nfs/dbraw/zinc/91/38/18/567913818.db2.gz SZIVUYXYCJOWSY-UHFFFAOYSA-N 1 0 292.180 3.538 40 0 CHABRO CNc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212563 567918192 /nfs/dbraw/zinc/91/81/92/567918192.db2.gz GQXHOCPFAXPEFT-QGZVFWFLSA-N 1 0 281.403 3.851 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1OC(C)C ZINC000072211965 567918576 /nfs/dbraw/zinc/91/85/76/567918576.db2.gz YLMJFHWUEORBEY-HNNXBMFYSA-N 1 0 262.397 3.806 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213900 567919174 /nfs/dbraw/zinc/91/91/74/567919174.db2.gz JNEGTBDEUGWAEC-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO CC(C)(C)Sc1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072217434 567920002 /nfs/dbraw/zinc/92/00/02/567920002.db2.gz OGWDRJSSQBNCOJ-GFCCVEGCSA-N 1 0 250.411 3.787 40 0 CHABRO CSc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072216884 567921129 /nfs/dbraw/zinc/92/11/29/567921129.db2.gz GUVOPQBEKLDFGV-CYBMUJFWSA-N 1 0 250.411 3.596 40 0 CHABRO Cc1nc(N2CCCC2)ccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072218941 567921568 /nfs/dbraw/zinc/92/15/68/567921568.db2.gz WVJUIJABVPSNLQ-QGZVFWFLSA-N 1 0 287.451 3.926 40 0 CHABRO Cc1cc(N)ncc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218526 567921877 /nfs/dbraw/zinc/92/18/77/567921877.db2.gz LXFACAOXDJECOJ-KRWDZBQOSA-N 1 0 281.403 3.699 40 0 CHABRO Cc1cc([C@@H]2CCC[N@H+]2CC(C)C)cnc1N1CCCC1 ZINC000072218803 567921890 /nfs/dbraw/zinc/92/18/90/567921890.db2.gz UQXLOXOAIHYHLY-KRWDZBQOSA-N 1 0 287.451 3.783 40 0 CHABRO Cc1nc(N(C)C)ccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218762 567921947 /nfs/dbraw/zinc/92/19/47/567921947.db2.gz LEHNCYWRCSOTHX-INIZCTEOSA-N 1 0 275.440 3.639 40 0 CHABRO [NH3+][C@H](c1ccccc1)c1ccc(OCc2ccccc2)nc1 ZINC000072225397 567922769 /nfs/dbraw/zinc/92/27/69/567922769.db2.gz CUDSFAFYIALOFR-LJQANCHMSA-N 1 0 290.366 3.709 40 0 CHABRO Cc1cc(NC(C)(C)C)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223980 567922783 /nfs/dbraw/zinc/92/27/83/567922783.db2.gz WBJQHVXETUCJGM-MRXNPFEDSA-N 1 0 269.392 3.649 40 0 CHABRO COc1cc2c(cc1OCc1ccccc1)[C@@H](C)[N@H+](C)CC2 ZINC000003847231 567938127 /nfs/dbraw/zinc/93/81/27/567938127.db2.gz MNDZGPSZJCVZEO-CQSZACIVSA-N 1 0 297.398 3.823 40 0 CHABRO CCCC[NH2+]Cc1cccn1-c1cc(C)cc(C)c1 ZINC000223682808 567950389 /nfs/dbraw/zinc/95/03/89/567950389.db2.gz BCLFCHYCAMKNMF-UHFFFAOYSA-N 1 0 256.393 3.984 40 0 CHABRO CCOc1ccc2c(c1)c(C[NH2+]C)c(C)n2C(C)C ZINC000223759000 567950620 /nfs/dbraw/zinc/95/06/20/567950620.db2.gz LEXNBZHHLFZQKV-UHFFFAOYSA-N 1 0 260.381 3.649 40 0 CHABRO CCCCn1c(C)c(C[NH2+]CC)c2cc(O)ccc21 ZINC000223761533 567950778 /nfs/dbraw/zinc/95/07/78/567950778.db2.gz XUZUJUYNGIUJQA-UHFFFAOYSA-N 1 0 260.381 3.565 40 0 CHABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H](C)c1cccc(Cl)c1 ZINC000079418696 570235068 /nfs/dbraw/zinc/23/50/68/570235068.db2.gz HOUGXEVCNRRANU-DOMZBBRYSA-N 1 0 296.842 3.621 40 0 CHABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]([NH3+])CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000034329021 570316329 /nfs/dbraw/zinc/31/63/29/570316329.db2.gz WMEBIWWUBWHAOJ-KHOSGYARSA-N 1 0 291.479 3.717 40 0 CHABRO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000017009339 1120392720 /nfs/dbraw/zinc/39/27/20/1120392720.db2.gz MOAYJGSEGKYGEV-BETUJISGSA-N 1 0 284.403 3.922 40 0 CHABRO Cc1cc(SC2CCCCC2)ncc1[C@@H](C)[NH3+] ZINC000072223842 256704925 /nfs/dbraw/zinc/70/49/25/256704925.db2.gz QIUYMZIHKPUKNJ-LLVKDONJSA-N 1 0 250.411 3.835 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(SC)nc1 ZINC000072216899 256710735 /nfs/dbraw/zinc/71/07/35/256710735.db2.gz FARFSKADGKVFGN-CYBMUJFWSA-N 1 0 250.411 3.741 40 0 CHABRO O=C1[C@H](C[NH+]2CCCCC2)CCC[C@H]1c1ccccc1 ZINC000001637850 169730767 /nfs/dbraw/zinc/73/07/67/169730767.db2.gz YZZLWLVHJAYMRB-IRXDYDNUSA-N 1 0 271.404 3.625 40 0 CHABRO Cc1cc2cc(C[NH2+][C@H]3CCCC[C@@H]3C)c(=O)[nH]c2cc1C ZINC000004130517 169936480 /nfs/dbraw/zinc/93/64/80/169936480.db2.gz ZVFAZZPOEXSAFE-SJCJKPOMSA-N 1 0 298.430 3.813 40 0 CHABRO C([C@H]1CO[C@]2(CC[C@@H]3CCCC[C@@H]3C2)O1)[NH+]1CCCCC1 ZINC000004713521 170003432 /nfs/dbraw/zinc/00/34/32/170003432.db2.gz XBGMCAWJVPHBRD-XWTMOSNGSA-N 1 0 293.451 3.574 40 0 CHABRO CCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000006430906 170201132 /nfs/dbraw/zinc/20/11/32/170201132.db2.gz HVZAMATWQYKWAJ-UHFFFAOYSA-N 1 0 285.387 3.774 40 0 CHABRO [NH3+]CCc1c2ccccc2[nH]c1-c1ccc2ncccc2c1 ZINC000006733629 170236348 /nfs/dbraw/zinc/23/63/48/170236348.db2.gz SUKKRFFHFNTDAU-UHFFFAOYSA-N 1 0 287.366 3.884 40 0 CHABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C(C)(C)C)o2)cc1 ZINC000006882567 170252335 /nfs/dbraw/zinc/25/23/35/170252335.db2.gz JBXPHFGCNVUICG-UHFFFAOYSA-N 1 0 287.359 3.621 40 0 CHABRO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccccc1 ZINC000008471970 170336752 /nfs/dbraw/zinc/33/67/52/170336752.db2.gz XFEHLCGMEAXYNK-UHFFFAOYSA-N 1 0 283.371 3.526 40 0 CHABRO CC[NH+](CC)c1ccc(NCc2cccnc2)cc1 ZINC000008701105 170346566 /nfs/dbraw/zinc/34/65/66/170346566.db2.gz GXXUQUULXALAKO-UHFFFAOYSA-N 1 0 255.365 3.540 40 0 CHABRO CC(C)(C)c1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000020224336 171086604 /nfs/dbraw/zinc/08/66/04/171086604.db2.gz LWPPCLZBRDIVKY-UHFFFAOYSA-N 1 0 282.387 3.695 40 0 CHABRO FC(F)(F)c1ccc(C2CC[NH2+]CC2)c(Cl)c1 ZINC000038539303 174145591 /nfs/dbraw/zinc/14/55/91/174145591.db2.gz FEZLXJAUYZZHON-UHFFFAOYSA-N 1 0 263.690 3.826 40 0 CHABRO CC[C@H](C)n1c2ccc(Cl)cc2nc1[C@H](C)[NH3+] ZINC000040408278 174253993 /nfs/dbraw/zinc/25/39/93/174253993.db2.gz UTULRFIGBDTCCG-IUCAKERBSA-N 1 0 251.761 3.680 40 0 CHABRO Cc1ccc(Cc2cccc([C@H]3CCC[N@H+]3C)n2)cc1 ZINC000072357510 176376048 /nfs/dbraw/zinc/37/60/48/176376048.db2.gz NTRRQRSESHIGMA-GOSISDBHSA-N 1 0 266.388 3.748 40 0 CHABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(NCc2ccncc2)n1 ZINC000072364980 176380008 /nfs/dbraw/zinc/38/00/08/176380008.db2.gz VYIFJYDUAXLIML-QGZVFWFLSA-N 1 0 296.418 3.634 40 0 CHABRO Cc1nc(-c2ccc(Cl)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000072384550 176388804 /nfs/dbraw/zinc/38/88/04/176388804.db2.gz YHAMXJGKXJAFOS-UHFFFAOYSA-N 1 0 287.794 3.572 40 0 CHABRO c1cnc2[nH]c(C3CC3)c(C[NH+]3CCCCCC3)c2c1 ZINC000072393357 176394534 /nfs/dbraw/zinc/39/45/34/176394534.db2.gz XADWGCIWOWRFCA-UHFFFAOYSA-N 1 0 269.392 3.816 40 0 CHABRO FC(F)(F)c1cccc(C[C@@H]2CCCC[NH2+]C2)c1 ZINC000077293312 177250120 /nfs/dbraw/zinc/25/01/20/177250120.db2.gz BZXFUGGMUMPWMJ-LBPRGKRZSA-N 1 0 257.299 3.638 40 0 in-vitro CHABRO CCC[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000035576746 330247884 /nfs/dbraw/zinc/24/78/84/330247884.db2.gz YARKSZQSDLYPST-SFHVURJKSA-N 1 0 269.388 3.979 40 0 CHABRO CC(C)Nc1ncc(C[NH2+]C(C)(C)CC(C)(C)C)cn1 ZINC000062717630 333175842 /nfs/dbraw/zinc/17/58/42/333175842.db2.gz FGKDGUNFHXDQQJ-UHFFFAOYSA-N 1 0 278.444 3.601 40 0 CHABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCOc1cccc(C=O)c1 ZINC000217795021 533827769 /nfs/dbraw/zinc/82/77/69/533827769.db2.gz DMMOKWRPHDEISO-IYBDPMFKSA-N 1 0 289.419 3.921 40 0 CHABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCOc1cccc(C=O)c1 ZINC000217790612 533828250 /nfs/dbraw/zinc/82/82/50/533828250.db2.gz WYOIWKKKCRPOMC-GASCZTMLSA-N 1 0 275.392 3.531 40 0 CHABRO O=Cc1ccccc1OCCCC[NH+]1CCCCCC1 ZINC000217796332 534855770 /nfs/dbraw/zinc/85/57/70/534855770.db2.gz OKHMAZNNAGRJTG-UHFFFAOYSA-N 1 0 275.392 3.534 40 0 CHABRO Cc1nc(SCc2ccccc2)ccc1[C@H](C)[NH3+] ZINC000072224497 567922778 /nfs/dbraw/zinc/92/27/78/567922778.db2.gz GGUYIDGTXBTILQ-NSHDSACASA-N 1 0 258.390 3.702 40 0 CHABRO CCCCNc1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072213614 567918764 /nfs/dbraw/zinc/91/87/64/567918764.db2.gz GTQNORYTBPQAAV-HNNXBMFYSA-N 1 0 261.413 3.841 40 0 CHABRO C[NH+](C)[C@@H](CC1CC1)C1(c2ccc(F)cc2)CCC1 ZINC000575410804 566932661 /nfs/dbraw/zinc/93/26/61/566932661.db2.gz JQCWBACQDCWDHQ-INIZCTEOSA-N 1 0 261.384 3.978 40 0 CHABRO CCC[C@H](C(=O)c1ccc(C)c(C)c1)[NH+]1CCCC1 ZINC000575598507 566943474 /nfs/dbraw/zinc/94/34/74/566943474.db2.gz IKKXRCRMSQZNLG-MRXNPFEDSA-N 1 0 259.393 3.751 40 0 in-vitro CHABRO Oc1ccc(C[NH+]2CCCCCC2)cc1Br ZINC000132472402 567044359 /nfs/dbraw/zinc/04/43/59/567044359.db2.gz YGIBPAVWWHKOPA-UHFFFAOYSA-N 1 0 284.197 3.531 40 0 CHABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccc(Cl)c(Cl)c2)C1 ZINC000108349953 567103618 /nfs/dbraw/zinc/10/36/18/567103618.db2.gz QUIZRRFSKOTIJC-IINYFYTJSA-N 1 0 287.234 3.725 40 0 CHABRO Nc1ccc2[nH]c(-c3ccccc3Br)nc2c1 ZINC000000189302 567821661 /nfs/dbraw/zinc/82/16/61/567821661.db2.gz LAQGPMQJUXSNDG-UHFFFAOYSA-N 1 0 288.148 3.575 40 0 CHABRO CCn1c(C=CNc2ccccc2)[o+]c2ccc(OC)cc21 ZINC000000284672 567824085 /nfs/dbraw/zinc/82/40/85/567824085.db2.gz SGHGCSZUPVKCKO-UHFFFAOYSA-O 1 0 295.362 3.832 40 0 CHABRO COc1ccc(/C=C2\CC[NH+]=C2c2ccccc2)cc1OC ZINC000001582348 567838637 /nfs/dbraw/zinc/83/86/37/567838637.db2.gz KJXPHAUZUTVYKK-FOWTUZBSSA-N 1 0 293.366 3.980 40 0 CHABRO C[N@@H+]1CCCO[C@@H](c2ccccc2)c2ccsc2CC1 ZINC000001607890 567839430 /nfs/dbraw/zinc/83/94/30/567839430.db2.gz CAGUNSQDJUXDGK-KRWDZBQOSA-N 1 0 287.428 3.732 40 0 CHABRO C[NH+](C)Cc1cc(-c2c(Cl)cccc2Cl)no1 ZINC000001611289 567839433 /nfs/dbraw/zinc/83/94/33/567839433.db2.gz LWHQQJVNDLSESF-UHFFFAOYSA-N 1 0 271.147 3.710 40 0 CHABRO CC[NH+](CC)CCC(=O)c1cccc2ccccc21 ZINC000001628195 567839722 /nfs/dbraw/zinc/83/97/22/567839722.db2.gz NCHQFIZSGLIKAS-UHFFFAOYSA-N 1 0 255.361 3.754 40 0 CHABRO CC[C@H](C)[C@H](C(=O)OCC[NH+](CC)CC)c1ccccc1 ZINC000001649106 567840074 /nfs/dbraw/zinc/84/00/74/567840074.db2.gz LKQUJKDIEHGPLY-RDJZCZTQSA-N 1 0 291.435 3.701 40 0 CHABRO CCCC[NH2+][C@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 ZINC000001667054 567840751 /nfs/dbraw/zinc/84/07/51/567840751.db2.gz OOKFNBJFELGWFO-RTBURBONSA-N 1 0 299.414 3.860 40 0 CHABRO CCC[NH+](CCC)CC(=O)Nc1cccc(Cl)c1C ZINC000001668549 567840841 /nfs/dbraw/zinc/84/08/41/567840841.db2.gz YQXIHPFOZOYMKX-UHFFFAOYSA-N 1 0 282.815 3.709 40 0 CHABRO CC[NH+](CC)CC[C@@H](C)[C@@H](Cc1cccs1)OC(C)=O ZINC000001671237 567840930 /nfs/dbraw/zinc/84/09/30/567840930.db2.gz YBCGCYGNOGTANZ-CZUORRHYSA-N 1 0 297.464 3.590 40 0 CHABRO C[n+]1ccc(/C=C/c2ccc(O)c3ccccc23)cc1 ZINC000001713039 567842382 /nfs/dbraw/zinc/84/23/82/567842382.db2.gz RAMJSMYFUWBUPM-UHFFFAOYSA-O 1 0 262.332 3.540 40 0 CHABRO CC[C@H]1[C@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004119589 567855252 /nfs/dbraw/zinc/85/52/52/567855252.db2.gz OKNRTYWYWMOJGO-WJFTUGDTSA-N 1 0 281.399 3.849 40 0 CHABRO C[C@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004119586 567855324 /nfs/dbraw/zinc/85/53/24/567855324.db2.gz GGCLDJYYOISOSI-KXJAXRNWSA-N 1 0 281.399 3.705 40 0 CHABRO CCCCOC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000004212244 567855675 /nfs/dbraw/zinc/85/56/75/567855675.db2.gz WQDZHQZKJMNOAY-KRWDZBQOSA-N 1 0 289.419 3.947 40 0 in-man CHABRO C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2Cc1ccoc1 ZINC000005492540 567859357 /nfs/dbraw/zinc/85/93/57/567859357.db2.gz MSBGXQSDBDHIGV-UPRAQXHNSA-N 1 0 297.398 3.710 40 0 CHABRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc1 ZINC000012154145 567862148 /nfs/dbraw/zinc/86/21/48/567862148.db2.gz YPBUIPGXXNOZAN-GOSISDBHSA-N 1 0 299.418 3.546 40 0 CHABRO Fc1ccc(C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000012113953 567862256 /nfs/dbraw/zinc/86/22/56/567862256.db2.gz LNBLZVDGULAKKG-UHFFFAOYSA-N 1 0 270.351 3.600 40 0 CHABRO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000016475843 567873101 /nfs/dbraw/zinc/87/31/01/567873101.db2.gz MXNXUGZLEBGSEG-AVGNSLFASA-N 1 0 294.826 3.645 40 0 CHABRO C[C@]12CC3CC(C(=O)C[NH+]4CCCC4)(C1)C[C@@](C)(C3)C2 ZINC000016778648 567873774 /nfs/dbraw/zinc/87/37/74/567873774.db2.gz JQXYOEYZBXRQDD-JGAFYBCUSA-N 1 0 275.436 3.648 40 0 CHABRO C[n+]1ccccc1/C=C/c1csc2ccccc12 ZINC000017020397 567874410 /nfs/dbraw/zinc/87/44/10/567874410.db2.gz NTFUSCBAVUOWHS-MDZDMXLPSA-N 1 0 252.362 3.896 40 0 CHABRO Cc1ccsc1C[N@H+]1CCCCC[C@H]1c1ccn(C)n1 ZINC000019238645 567877274 /nfs/dbraw/zinc/87/72/74/567877274.db2.gz QRVHYVNIZUYJHE-HNNXBMFYSA-N 1 0 289.448 3.907 40 0 CHABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccn12 ZINC000019240705 567877305 /nfs/dbraw/zinc/87/73/05/567877305.db2.gz CUIGKZXKLSJFLD-QGZVFWFLSA-N 1 0 291.398 3.632 40 0 CHABRO C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019790112 567879349 /nfs/dbraw/zinc/87/93/49/567879349.db2.gz XCBFRNWRTZBQAU-FGTMMUONSA-N 1 0 288.479 3.539 40 0 CHABRO CN(C)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212683 567918059 /nfs/dbraw/zinc/91/80/59/567918059.db2.gz DCUQEPYYYKKNMG-GOSISDBHSA-N 1 0 295.430 3.875 40 0 CHABRO CNc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212502 567918121 /nfs/dbraw/zinc/91/81/21/567918121.db2.gz GULMEQUYLBFWMK-KRWDZBQOSA-N 1 0 281.403 3.851 40 0 CHABRO c1ccc(Oc2ccc([C@H]3CCCC[NH2+]3)cn2)cc1 ZINC000072212152 567918430 /nfs/dbraw/zinc/91/84/30/567918430.db2.gz LPMDCCWZEGVRIN-OAHLLOKOSA-N 1 0 254.333 3.689 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212071 567918517 /nfs/dbraw/zinc/91/85/17/567918517.db2.gz FIQUTTFKMAYIAA-KRWDZBQOSA-N 1 0 282.387 3.817 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212094 567918654 /nfs/dbraw/zinc/91/86/54/567918654.db2.gz PQMLSXFSNYYQLW-KRWDZBQOSA-N 1 0 282.387 3.817 40 0 CHABRO CC[C@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072213392 567918817 /nfs/dbraw/zinc/91/88/17/567918817.db2.gz KLGIBIMDMHAGNL-ZFWWWQNUSA-N 1 0 261.413 3.837 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213916 567919057 /nfs/dbraw/zinc/91/90/57/567919057.db2.gz WIIPSPUJVRHJEB-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(OC)cc1C ZINC000072218040 567919490 /nfs/dbraw/zinc/91/94/90/567919490.db2.gz YNOFBPFVXZURAW-OAHLLOKOSA-N 1 0 262.397 3.726 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214063 567919652 /nfs/dbraw/zinc/91/96/52/567919652.db2.gz XIIKQNIHMBFIOB-OAHLLOKOSA-N 1 0 253.349 3.592 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216104 567920254 /nfs/dbraw/zinc/92/02/54/567920254.db2.gz IGGSKFWJCFUHCB-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216633 567920474 /nfs/dbraw/zinc/92/04/74/567920474.db2.gz NDGBCULDKIDPPN-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216042 567920622 /nfs/dbraw/zinc/92/06/22/567920622.db2.gz KPLKULCAKVVYMX-INIZCTEOSA-N 1 0 273.424 3.617 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216059 567920749 /nfs/dbraw/zinc/92/07/49/567920749.db2.gz XUJVSWOCXJNOSD-INIZCTEOSA-N 1 0 273.424 3.619 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(SCC)nc1 ZINC000072217122 567920977 /nfs/dbraw/zinc/92/09/77/567920977.db2.gz HTKYFDSUNVNCOG-CYBMUJFWSA-N 1 0 250.411 3.741 40 0 CHABRO CSc1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072216944 567921019 /nfs/dbraw/zinc/92/10/19/567921019.db2.gz OFXOYTSIHFBOAY-CYBMUJFWSA-N 1 0 250.411 3.596 40 0 CHABRO CCSc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072217121 567921045 /nfs/dbraw/zinc/92/10/45/567921045.db2.gz RGVJOHMSTSIWDR-CYBMUJFWSA-N 1 0 250.411 3.739 40 0 CHABRO Cc1nc(N2CCCC2)ccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072218920 567921476 /nfs/dbraw/zinc/92/14/76/567921476.db2.gz COUDHZRZDCYUGA-MRXNPFEDSA-N 1 0 273.424 3.536 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218936 567921497 /nfs/dbraw/zinc/92/14/97/567921497.db2.gz BOCUKFDXSLRECS-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc(N(C)C)ncc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218670 567921543 /nfs/dbraw/zinc/92/15/43/567921543.db2.gz XKSDZYINVYPGIZ-GOSISDBHSA-N 1 0 295.430 3.793 40 0 CHABRO Cc1nc(N)ccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218587 567921623 /nfs/dbraw/zinc/92/16/23/567921623.db2.gz YHXULAKSYBDOCC-QGZVFWFLSA-N 1 0 281.403 3.699 40 0 CHABRO Cc1cc([C@@H]2CCCC[N@H+]2CC(C)C)cnc1N(C)C ZINC000072218642 567921875 /nfs/dbraw/zinc/92/18/75/567921875.db2.gz RACIHGSSNZCVDY-INIZCTEOSA-N 1 0 275.440 3.639 40 0 CHABRO Cc1cc(N)ncc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218527 567921896 /nfs/dbraw/zinc/92/18/96/567921896.db2.gz LXFACAOXDJECOJ-QGZVFWFLSA-N 1 0 281.403 3.699 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(NC)cc1C ZINC000072219064 567921950 /nfs/dbraw/zinc/92/19/50/567921950.db2.gz XAEVGDKYKWGDEW-OAHLLOKOSA-N 1 0 261.413 3.759 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cc(OC)ccc1OC ZINC000072221884 567922147 /nfs/dbraw/zinc/92/21/47/567922147.db2.gz NRXFBSZHTWEPNJ-HNNXBMFYSA-N 1 0 263.381 3.641 40 0 CHABRO CCCCn1nc(C)c(C[NH2+]Cc2cc(C)oc2C)c1C ZINC000085395702 567923016 /nfs/dbraw/zinc/92/30/16/567923016.db2.gz JOFQEOYEJAWLKU-UHFFFAOYSA-N 1 0 289.423 3.800 40 0 CHABRO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]1C[C@H]2CCCC[C@@H]2[C@@H]31 ZINC000004026530 567932544 /nfs/dbraw/zinc/93/25/44/567932544.db2.gz HKCFIODYAGNXJQ-UHYGZKCKSA-N 1 0 296.414 3.896 40 0 CHABRO CSc1ncc(C[NH2+]C(C)(C)CC(C)(C)C)cn1 ZINC000062717236 567938522 /nfs/dbraw/zinc/93/85/22/567938522.db2.gz CPIRZDITQYDJNY-UHFFFAOYSA-N 1 0 267.442 3.503 40 0 CHABRO Cc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000016362680 567944235 /nfs/dbraw/zinc/94/42/35/567944235.db2.gz VIFZLICPAABLTE-UHFFFAOYSA-N 1 0 255.405 3.909 40 0 CHABRO COc1ccc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1 ZINC000019415863 567944741 /nfs/dbraw/zinc/94/47/41/567944741.db2.gz QJIFUHQJTOGINK-CQSZACIVSA-N 1 0 281.277 3.762 40 0 CHABRO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)c(Cl)c2)C1 ZINC000020081653 567947001 /nfs/dbraw/zinc/94/70/01/567947001.db2.gz QUIZRRFSKOTIJC-HZMBPMFUSA-N 1 0 287.234 3.725 40 0 CHABRO COCCC[NH2+]Cc1cccn1-c1cc(Cl)ccc1C ZINC000223687080 567950189 /nfs/dbraw/zinc/95/01/89/567950189.db2.gz YIAMAVWRWWQLEQ-UHFFFAOYSA-N 1 0 292.810 3.565 40 0 CHABRO CCC[NH2+]Cc1c(C)n(CCC)c2ccc(O)cc12 ZINC000223765350 567950622 /nfs/dbraw/zinc/95/06/22/567950622.db2.gz YFZGEBGGACSCGU-UHFFFAOYSA-N 1 0 260.381 3.565 40 0 CHABRO CC[NH2+]Cc1c2cc(OC)ccc2n(CC(C)C)c1C ZINC000223762106 567950804 /nfs/dbraw/zinc/95/08/04/567950804.db2.gz SDBXGPZBPFUATA-UHFFFAOYSA-N 1 0 274.408 3.724 40 0 CHABRO CC(C)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225162378 567952281 /nfs/dbraw/zinc/95/22/81/567952281.db2.gz OKLWYSRAVNDOPU-CABCVRRESA-N 1 0 277.408 3.551 40 0 CHABRO CCCCOc1ccccc1[C@H](C)[NH2+]CCCOC ZINC000225161406 567952500 /nfs/dbraw/zinc/95/25/00/567952500.db2.gz PKEXOJXHQQZJEM-AWEZNQCLSA-N 1 0 265.397 3.553 40 0 CHABRO CC[C@H](C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000225170587 567952687 /nfs/dbraw/zinc/95/26/87/567952687.db2.gz BHVLXDWIQYEEEP-VBQJREDUSA-N 1 0 277.408 3.694 40 0 CHABRO CC[NH+]1CCC2(CC1)CC(=O)c1c(ccc3ccccc31)O2 ZINC000225824153 567955105 /nfs/dbraw/zinc/95/51/05/567955105.db2.gz NBMKVLHZYORKPL-UHFFFAOYSA-N 1 0 295.382 3.660 40 0 CHABRO CC[C@@H](C)Oc1ccccc1[C@@H](C)[NH2+]CCCOC ZINC000225161652 189744752 /nfs/dbraw/zinc/74/47/52/189744752.db2.gz RVPYOISYUKKLEQ-ZIAGYGMSSA-N 1 0 265.397 3.551 40 0 CHABRO Cc1oc2ccccc2c1/C=C/c1cc[n+](C)cc1 ZINC000005002280 170053236 /nfs/dbraw/zinc/05/32/36/170053236.db2.gz GBQKGMQFFGXUAV-BQYQJAHWSA-N 1 0 250.321 3.736 40 0 CHABRO C[n+]1ccccc1/C=C\c1ccc(O)c2ccccc12 ZINC000005049309 170060784 /nfs/dbraw/zinc/06/07/84/170060784.db2.gz FGDYHSADVGGTPT-UHFFFAOYSA-O 1 0 262.332 3.540 40 0 CHABRO O[C@@H](CC[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000005887076 170150268 /nfs/dbraw/zinc/15/02/68/170150268.db2.gz XXBRJGCJCMOIFO-ZJIILYSQSA-N 1 0 285.431 3.669 40 0 CHABRO CCCCCC[C@@H](C)[NH2+]CCOC(=O)c1ccccc1 ZINC000005973090 170164490 /nfs/dbraw/zinc/16/44/90/170164490.db2.gz WGAQQWPWRYEDCJ-OAHLLOKOSA-N 1 0 277.408 3.792 40 0 CHABRO CCCCCC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000005973083 170164664 /nfs/dbraw/zinc/16/46/64/170164664.db2.gz KEAFRUJUNVFMKI-OAHLLOKOSA-N 1 0 276.424 3.882 40 0 CHABRO CCOc1cccc([C@@H](Cc2ccccc2)[NH2+]C)c1 ZINC000006411355 170199219 /nfs/dbraw/zinc/19/92/19/170199219.db2.gz BHSRWFSOFWREBM-QGZVFWFLSA-N 1 0 255.361 3.589 40 0 CHABRO [NH3+]Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000027987031 171541861 /nfs/dbraw/zinc/54/18/61/171541861.db2.gz VNENWJKBSOBYLL-UHFFFAOYSA-N 1 0 283.762 3.651 40 0 CHABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N)cc1Br ZINC000037515910 173247609 /nfs/dbraw/zinc/24/76/09/173247609.db2.gz FPVDVIKKPOYZMN-PHIMTYICSA-N 1 0 297.240 3.794 40 0 CHABRO CC[C@H](C)n1c2ccccc2nc1CCCCC[NH3+] ZINC000040163852 174197059 /nfs/dbraw/zinc/19/70/59/174197059.db2.gz OJZMURRQUJAIHH-ZDUSSCGKSA-N 1 0 259.397 3.679 40 0 CHABRO c1ccc(C(OC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000071256388 176095413 /nfs/dbraw/zinc/09/54/13/176095413.db2.gz RFAADNHELHYGFE-MRXNPFEDSA-N 1 0 281.399 3.792 40 0 CHABRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccncc1 ZINC000072350996 176373686 /nfs/dbraw/zinc/37/36/86/176373686.db2.gz UYATWASYAAIBPJ-CQSZACIVSA-N 1 0 258.390 3.653 40 0 CHABRO Cc1cccc(Cc2cc(C)nc([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000072354415 176374825 /nfs/dbraw/zinc/37/48/25/176374825.db2.gz LDPKQPOWFXQWEP-GOSISDBHSA-N 1 0 280.415 3.756 40 0 CHABRO c1ccc(-c2nccc([C@@H]3CCC[N@H+]3C3CCCC3)n2)nc1 ZINC000072355770 176375172 /nfs/dbraw/zinc/37/51/72/176375172.db2.gz XMFFXODOEACNGB-KRWDZBQOSA-N 1 0 294.402 3.618 40 0 CHABRO FC(F)(F)Oc1cccc(C[C@H]2CCCC[NH2+]C2)c1 ZINC000077293305 177250042 /nfs/dbraw/zinc/25/00/42/177250042.db2.gz JLTHLGACDUDISW-GFCCVEGCSA-N 1 0 273.298 3.517 40 0 in-vitro CHABRO CCC[C@@H]([NH2+]Cc1cnc(NCC)nc1)c1ccccc1 ZINC000062717560 333175859 /nfs/dbraw/zinc/17/58/59/333175859.db2.gz OERWXDBLCLMWAV-MRXNPFEDSA-N 1 0 284.407 3.539 40 0 CHABRO O[C@H]1CC[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000257353569 333226970 /nfs/dbraw/zinc/22/69/70/333226970.db2.gz RWMDJQJCEISWRT-MXVIHJGJSA-N 1 0 295.426 3.992 40 0 CHABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCOc1ccccc1C=O ZINC000217790895 533826521 /nfs/dbraw/zinc/82/65/21/533826521.db2.gz OVHLIKDHAZFMQB-GASCZTMLSA-N 1 0 275.392 3.531 40 0 CHABRO Fc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017744251 534465072 /nfs/dbraw/zinc/46/50/72/534465072.db2.gz RTFDSRRBFSMYGP-UHFFFAOYSA-N 1 0 259.368 3.884 40 0 CHABRO Cc1ccc(C[N@H+](Cc2sccc2C)C[C@@H](C)O)s1 ZINC000013991515 567912303 /nfs/dbraw/zinc/91/23/03/567912303.db2.gz GZLALKNPGIAFGK-GFCCVEGCSA-N 1 0 295.473 3.809 40 0 CHABRO CCSc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072217124 567921048 /nfs/dbraw/zinc/92/10/48/567921048.db2.gz XIGWRLFXWBMVER-AWEZNQCLSA-N 1 0 264.438 3.987 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1SC ZINC000072216960 567921101 /nfs/dbraw/zinc/92/11/01/567921101.db2.gz NQOCQQMVFUAUAX-ZDUSSCGKSA-N 1 0 250.411 3.741 40 0 CHABRO COc1ccc2ccccc2c1[C@@H](CN)[N@@H+]1CCC[C@@H](C)C1 ZINC000032073453 567044924 /nfs/dbraw/zinc/04/49/24/567044924.db2.gz IYHLFVKGPZPWHN-RHSMWYFYSA-N 1 0 298.430 3.580 40 0 CHABRO C[C@H]1CCCN([C@H](C[NH3+])c2cccc(Cl)c2Cl)C1 ZINC000108349980 567103022 /nfs/dbraw/zinc/10/30/22/567103022.db2.gz GKTKLFLXYDSQAX-GXFFZTMASA-N 1 0 287.234 3.725 40 0 CHABRO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CCCCC[NH2+]1 ZINC000217460158 567169936 /nfs/dbraw/zinc/16/99/36/567169936.db2.gz VNJYSURXIYOQLX-INIZCTEOSA-N 1 0 269.392 3.694 40 0 CHABRO NC(=[NH2+])SCc1ccc(Cl)c2ccccc12 ZINC000001668498 567840781 /nfs/dbraw/zinc/84/07/81/567840781.db2.gz UCXFOQVFJUXSPE-UHFFFAOYSA-N 1 0 250.754 3.620 40 0 in-vitro CHABRO C[NH+](C)Cc1ccccc1COC(=O)/C=C/c1ccccc1 ZINC000001716132 567842299 /nfs/dbraw/zinc/84/22/99/567842299.db2.gz ORXYOWNKJSEEPD-OUKQBFOZSA-N 1 0 295.382 3.505 40 0 CHABRO [NH3+]Cc1c(-c2ccc(F)cc2)nc2sc3ccccc3n12 ZINC000002508655 567846270 /nfs/dbraw/zinc/84/62/70/567846270.db2.gz YUZWHSWIIKPNLP-UHFFFAOYSA-N 1 0 297.358 3.814 40 0 CHABRO CCC[NH+](CCC)CCc1c[nH]c2ccc(OC)cc12 ZINC000002539058 567847683 /nfs/dbraw/zinc/84/76/83/567847683.db2.gz PNHPVNBKLQWBKH-UHFFFAOYSA-N 1 0 274.408 3.841 40 0 in-vitro CHABRO C[C@@H]1[C@@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000004375818 567857057 /nfs/dbraw/zinc/85/70/57/567857057.db2.gz FAHFBUDMUKEFDS-OAOYMFHYSA-N 1 0 281.399 3.802 40 0 CHABRO CCCCC(CCCC)C1CC[NH+](CCO)CC1 ZINC000015442166 567870646 /nfs/dbraw/zinc/87/06/46/567870646.db2.gz VNOJGOAHSZXTDW-UHFFFAOYSA-N 1 0 255.446 3.687 40 0 CHABRO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccc(O)c2)on1 ZINC000019120297 567877258 /nfs/dbraw/zinc/87/72/58/567877258.db2.gz OHKURPHHXFBYEC-INIZCTEOSA-N 1 0 286.375 3.806 40 0 CHABRO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)c1 ZINC000019291084 567877278 /nfs/dbraw/zinc/87/72/78/567877278.db2.gz JURGOJFFOBXUHM-GOSISDBHSA-N 1 0 299.418 3.546 40 0 CHABRO C(=C/c1ccccc1)\CNCC[NH2+]C/C=C/c1ccccc1 ZINC000019365692 567877542 /nfs/dbraw/zinc/87/75/42/567877542.db2.gz OCPXRFLUCJRFJO-FNCQTZNRSA-N 1 0 292.426 3.592 40 0 CHABRO CC[C@@H]([NH3+])c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC000096509790 567897433 /nfs/dbraw/zinc/89/74/33/567897433.db2.gz ASFMTXUFPSDTNE-GFCCVEGCSA-N 1 0 274.364 3.834 40 0 CHABRO CCOC(=O)C[C@H](c1ccc(Cl)cc1)[NH+](CC)CC ZINC000072210299 567917483 /nfs/dbraw/zinc/91/74/83/567917483.db2.gz GYGRFRBHVJAAIV-CQSZACIVSA-N 1 0 283.799 3.676 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1Br ZINC000072211627 567917920 /nfs/dbraw/zinc/91/79/20/567917920.db2.gz QNCXWXVXXWABRY-GFCCVEGCSA-N 1 0 283.213 3.781 40 0 CHABRO CC(C)CNc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072213253 567917982 /nfs/dbraw/zinc/91/79/82/567917982.db2.gz UAWUNIWKMNGZSC-HNNXBMFYSA-N 1 0 261.413 3.695 40 0 CHABRO CCN(C)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212766 567918312 /nfs/dbraw/zinc/91/83/12/567918312.db2.gz TXDISWLOLSHQDY-GOSISDBHSA-N 1 0 295.430 3.875 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(CC)CC ZINC000072212902 567918367 /nfs/dbraw/zinc/91/83/67/567918367.db2.gz ILACHNVAPFDVAQ-INIZCTEOSA-N 1 0 275.440 3.865 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)CC)nc1 ZINC000072212740 567918373 /nfs/dbraw/zinc/91/83/73/567918373.db2.gz LAYBPLYXAQKWOF-MRXNPFEDSA-N 1 0 275.440 3.865 40 0 CHABRO CC(C)N(c1ccc([C@H]2CCCC[NH2+]2)cn1)C(C)C ZINC000072212969 567918439 /nfs/dbraw/zinc/91/84/39/567918439.db2.gz ZWNKSMJLBPIEFF-OAHLLOKOSA-N 1 0 261.413 3.519 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213737 567918736 /nfs/dbraw/zinc/91/87/36/567918736.db2.gz WXOVPOGHKWDDNV-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO CC[C@@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213533 567919008 /nfs/dbraw/zinc/91/90/08/567919008.db2.gz ZRONWPSXWANAID-HIFRSBDPSA-N 1 0 261.413 3.839 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214093 567919827 /nfs/dbraw/zinc/91/98/27/567919827.db2.gz KQFYUUSNMBEMMT-INIZCTEOSA-N 1 0 267.376 3.982 40 0 CHABRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000072218065 567919943 /nfs/dbraw/zinc/91/99/43/567919943.db2.gz SKESOOXQXBALIN-KRWDZBQOSA-N 1 0 282.387 3.736 40 0 CHABRO CN(c1ccccc1)c1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072214244 567919966 /nfs/dbraw/zinc/91/99/66/567919966.db2.gz VXEMHZBBJRHJPE-INIZCTEOSA-N 1 0 267.376 3.616 40 0 CHABRO CSc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072216902 567921163 /nfs/dbraw/zinc/92/11/63/567921163.db2.gz QKXLLSQVJCQSRY-ZDUSSCGKSA-N 1 0 250.411 3.739 40 0 CHABRO Cc1nc(N(C)C)ccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218729 567921629 /nfs/dbraw/zinc/92/16/29/567921629.db2.gz ZXLPGXHOXOAMHD-SFHVURJKSA-N 1 0 295.430 3.793 40 0 CHABRO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N ZINC000072218466 567921636 /nfs/dbraw/zinc/92/16/36/567921636.db2.gz RJGYWBIHTYKHIT-KRWDZBQOSA-N 1 0 281.403 3.699 40 0 CHABRO Cc1nc(N2CCCC2)ccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072218919 567921770 /nfs/dbraw/zinc/92/17/70/567921770.db2.gz COUDHZRZDCYUGA-INIZCTEOSA-N 1 0 273.424 3.536 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219177 567921892 /nfs/dbraw/zinc/92/18/92/567921892.db2.gz GNGLWESGCAOIIN-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N(C)C ZINC000072218610 567921964 /nfs/dbraw/zinc/92/19/64/567921964.db2.gz PNMZGNULPKHLST-GOSISDBHSA-N 1 0 295.430 3.793 40 0 CHABRO COc1ccc(OC)c([C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000072221888 567922026 /nfs/dbraw/zinc/92/20/26/567922026.db2.gz TVEOYQPSTBZMKH-INIZCTEOSA-N 1 0 277.408 3.887 40 0 CHABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CCCCCC1 ZINC000072222495 567922380 /nfs/dbraw/zinc/92/23/80/567922380.db2.gz LYMFPDUYMRWGKA-SFHVURJKSA-N 1 0 295.430 3.819 40 0 CHABRO CCCN(CCC)c1ccc([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072225288 567922462 /nfs/dbraw/zinc/92/24/62/567922462.db2.gz QCFIARLMRRHPGJ-SFHVURJKSA-N 1 0 283.419 3.756 40 0 CHABRO CCC[n+]1cccc(-c2nc3cc(Cl)c(C)cc3[nH]2)c1 ZINC000226774506 567929214 /nfs/dbraw/zinc/92/92/14/567929214.db2.gz IGUSWSZDYQLGQK-UHFFFAOYSA-N 1 0 286.786 3.889 40 0 CHABRO CCCCn1c(C)c(C[NH2+]CC)c2cc(OC)ccc21 ZINC000223762022 567950746 /nfs/dbraw/zinc/95/07/46/567950746.db2.gz ZIENXWGPDYWNFV-UHFFFAOYSA-N 1 0 274.408 3.868 40 0 CHABRO CCCOc1ccc2c(c1)c(C[NH2+]C)c(C)n2CCC ZINC000223759838 567950758 /nfs/dbraw/zinc/95/07/58/567950758.db2.gz GTWNUFIUPORYLB-UHFFFAOYSA-N 1 0 274.408 3.868 40 0 CHABRO CCCOc1ccc2[nH]c(C)c(C[NH2+]C(C)C)c2c1 ZINC000223769986 567950814 /nfs/dbraw/zinc/95/08/14/567950814.db2.gz MVSQNEGHGGJAGN-UHFFFAOYSA-N 1 0 260.381 3.763 40 0 CHABRO C[C@H]1CCCC[C@@H]1[NH+]1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000224082084 567951212 /nfs/dbraw/zinc/95/12/12/567951212.db2.gz ADQAWJJCVOTDOE-KSZLIROESA-N 1 0 276.468 3.539 40 0 CHABRO CC[C@H](C)Oc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167915 567952847 /nfs/dbraw/zinc/95/28/47/567952847.db2.gz JLUASHWRFHLWRX-ZQIUZPCESA-N 1 0 277.408 3.694 40 0 CHABRO CC(C)[C@H]1C[C@@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C ZINC000252492252 570391462 /nfs/dbraw/zinc/39/14/62/570391462.db2.gz MGPYHEWUULDAER-UKRRQHHQSA-N 1 0 290.407 3.856 40 0 CHABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@]21CC[NH2+]1 ZINC000306145939 1122992899 /nfs/dbraw/zinc/99/28/99/1122992899.db2.gz WRYQNGHIXJEBSC-KRWDZBQOSA-N 1 0 288.391 3.559 40 0 CHABRO C[C@H]([NH2+]Cc1cccn1C)C12CC3CC(CC(C3)C1)C2 ZINC000008497405 230370506 /nfs/dbraw/zinc/37/05/06/230370506.db2.gz OXRFHJIEIVDZTP-IILDEKEXSA-N 1 0 272.436 3.720 40 0 CHABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CC[NH2+]1)CCC2 ZINC000306145926 201845551 /nfs/dbraw/zinc/84/55/51/201845551.db2.gz WCSZPYZDNGOPIG-KRWDZBQOSA-N 1 0 288.391 3.559 40 0 CHABRO CCCCOc1ccccc1[C@@H](C)[NH2+]CCCOC ZINC000225161368 189744536 /nfs/dbraw/zinc/74/45/36/189744536.db2.gz PKEXOJXHQQZJEM-CQSZACIVSA-N 1 0 265.397 3.553 40 0 CHABRO CCCCOc1cccc([C@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000225167424 189745093 /nfs/dbraw/zinc/74/50/93/189745093.db2.gz UGDAUCKIQJGURM-WMLDXEAASA-N 1 0 277.408 3.695 40 0 CHABRO COc1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2C)cc1 ZINC000256053214 190004036 /nfs/dbraw/zinc/00/40/36/190004036.db2.gz QNQBSMUHSZZNHH-UHFFFAOYSA-N 1 0 299.418 3.605 40 0 CHABRO Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000257198181 190010662 /nfs/dbraw/zinc/01/06/62/190010662.db2.gz VIZIJJRTANUBII-ZDUSSCGKSA-N 1 0 287.338 3.531 40 0 CHABRO Cc1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1cccc2ncccc12 ZINC000257230853 190015982 /nfs/dbraw/zinc/01/59/82/190015982.db2.gz GEEIKOFVCLWOKP-KRWDZBQOSA-N 1 0 292.386 3.603 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217025 256710340 /nfs/dbraw/zinc/71/03/40/256710340.db2.gz QRHUSMKDWZNPFM-CYBMUJFWSA-N 1 0 250.411 3.697 40 0 CHABRO CC(C)(C)OC(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000036878975 256786401 /nfs/dbraw/zinc/78/64/01/256786401.db2.gz SXBNIBVFEDZLLR-UHFFFAOYSA-N 1 0 296.455 3.556 40 0 CHABRO c1[nH]c2ccccc2c1CC[n+]1ccc2ccccc2c1 ZINC000001756902 169755260 /nfs/dbraw/zinc/75/52/60/169755260.db2.gz KKIHRSOSAQOLLN-UHFFFAOYSA-N 1 0 273.359 3.851 40 0 CHABRO CC[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000002034009 169770071 /nfs/dbraw/zinc/77/00/71/169770071.db2.gz WUTPZXNDFFUYFZ-GOSISDBHSA-N 1 0 285.387 3.597 40 0 CHABRO C[n+]1ccccc1/C=C/c1cc(Br)cs1 ZINC000005002312 170053365 /nfs/dbraw/zinc/05/33/65/170053365.db2.gz IFQKTTATGIMGOE-AATRIKPKSA-N 1 0 281.198 3.506 40 0 CHABRO C[n+]1ccccc1/C=C/c1ccc(N2CCCCCC2)o1 ZINC000005002320 170053553 /nfs/dbraw/zinc/05/35/53/170053553.db2.gz IQPBUVUCDOTBGU-UHFFFAOYSA-N 1 0 283.395 3.655 40 0 CHABRO C[NH+](C)CCCOc1ccccc1Cc1ccccc1 ZINC000005535361 170109985 /nfs/dbraw/zinc/10/99/85/170109985.db2.gz YETGNVCEJGMXIN-UHFFFAOYSA-N 1 0 269.388 3.608 40 0 CHABRO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000005557329 170112953 /nfs/dbraw/zinc/11/29/53/170112953.db2.gz BMYNOEXNAKSRKS-IHRRRGAJSA-N 1 0 284.403 3.717 40 0 CHABRO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)c1 ZINC000005697534 170130513 /nfs/dbraw/zinc/13/05/13/170130513.db2.gz SHQXUKQYDKBFSW-INIZCTEOSA-N 1 0 288.435 3.671 40 0 CHABRO CC[NH+](CC)C[C@@H](C)OC(=O)Nc1ccccc1Cl ZINC000006382397 170196831 /nfs/dbraw/zinc/19/68/31/170196831.db2.gz MEBCUKJNZWTARW-LLVKDONJSA-N 1 0 284.787 3.619 40 0 CHABRO Clc1cccc2c[n+](Cc3ccccc3)ccc12 ZINC000006475434 170203938 /nfs/dbraw/zinc/20/39/38/170203938.db2.gz RBBKBYOCTREBDR-UHFFFAOYSA-N 1 0 254.740 3.829 40 0 CHABRO Cc1[nH]c2ccc(C)cc2c1/C=C/c1cc[n+](C)cc1 ZINC000006760043 170241521 /nfs/dbraw/zinc/24/15/21/170241521.db2.gz HSODZLKRNDIKEN-UHFFFAOYSA-O 1 0 263.364 3.780 40 0 CHABRO CCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000007262416 170274243 /nfs/dbraw/zinc/27/42/43/170274243.db2.gz XSKKFIVGPJGFJB-UHFFFAOYSA-N 1 0 273.351 3.904 40 0 CHABRO CCC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007262352 170274474 /nfs/dbraw/zinc/27/44/74/170274474.db2.gz PUKNEYZZVFTCOS-UHFFFAOYSA-N 1 0 299.414 3.816 40 0 CHABRO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007539011 170290000 /nfs/dbraw/zinc/29/00/00/170290000.db2.gz FFRRQBGOGMAISU-LBPRGKRZSA-N 1 0 287.359 3.621 40 0 CHABRO CCOc1c(Cl)cc(C[NH2+]C(C)(C)C)cc1OC ZINC000008253371 170327105 /nfs/dbraw/zinc/32/71/05/170327105.db2.gz IVSVYPGVWDXXCL-UHFFFAOYSA-N 1 0 271.788 3.635 40 0 CHABRO C[NH+](C)CCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008373879 170333368 /nfs/dbraw/zinc/33/33/68/170333368.db2.gz BDQWQDXDLYECDA-UHFFFAOYSA-N 1 0 292.810 3.641 40 0 CHABRO C[NH+](C)CCCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000008373882 170333464 /nfs/dbraw/zinc/33/34/64/170333464.db2.gz JGHLYTCFFWEFIZ-UHFFFAOYSA-N 1 0 292.810 3.641 40 0 CHABRO CC[C@H]1CCCC[N@@H+]1CCCOc1ccccc1C=O ZINC000008731536 170351171 /nfs/dbraw/zinc/35/11/71/170351171.db2.gz CUDYOZDLNBETNG-INIZCTEOSA-N 1 0 275.392 3.533 40 0 CHABRO C[C@@H](c1cccc(OCc2ccccc2)c1)[NH+](C)C ZINC000022051343 171350529 /nfs/dbraw/zinc/35/05/29/171350529.db2.gz KSGZYOKUQUKFBY-AWEZNQCLSA-N 1 0 255.361 3.888 40 0 in-vitro CHABRO COc1ccc([C@@H](C[NH+](C)C)C2=CCCCC2)cc1 ZINC000022055564 171351004 /nfs/dbraw/zinc/35/10/04/171351004.db2.gz OARSYJZOOXFPDU-KRWDZBQOSA-N 1 0 259.393 3.841 40 0 in-vitro CHABRO C[C@@H]([NH3+])CCc1ccc(OCc2ccccc2)cc1 ZINC000022169339 171367063 /nfs/dbraw/zinc/36/70/63/171367063.db2.gz FPECOSYBIOUTMG-CQSZACIVSA-N 1 0 255.361 3.545 40 0 CHABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]([NH3+])CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000034329022 171837273 /nfs/dbraw/zinc/83/72/73/171837273.db2.gz WMEBIWWUBWHAOJ-YSZCXEEOSA-N 1 0 291.479 3.717 40 0 CHABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(N)cc2Br)C1 ZINC000037515909 173247550 /nfs/dbraw/zinc/24/75/50/173247550.db2.gz DYZRRTDXJJNUOE-GHMZBOCLSA-N 1 0 297.240 3.509 40 0 CHABRO Fc1ccccc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000072342081 176371383 /nfs/dbraw/zinc/37/13/83/176371383.db2.gz FTVTYFFCMFZLKB-UHFFFAOYSA-N 1 0 270.351 3.600 40 0 CHABRO Clc1cccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072343728 176372226 /nfs/dbraw/zinc/37/22/26/176372226.db2.gz FUCOJBFSHWXOIF-ZDUSSCGKSA-N 1 0 272.779 3.869 40 0 CHABRO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072348547 176373486 /nfs/dbraw/zinc/37/34/86/176373486.db2.gz QTJOGVGUNQJIRW-MRXNPFEDSA-N 1 0 266.388 3.866 40 0 CHABRO CCC[NH+]1CCC(c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000072360988 176377147 /nfs/dbraw/zinc/37/71/47/176377147.db2.gz GFUKSXIRSGTGQJ-UHFFFAOYSA-N 1 0 270.376 3.530 40 0 CHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2C)on1 ZINC000072395093 176394302 /nfs/dbraw/zinc/39/43/02/176394302.db2.gz DWKJTWUWMRFOQT-MAUKXSAKSA-N 1 0 284.403 3.792 40 0 CHABRO C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC2)C1 ZINC000072393355 176394488 /nfs/dbraw/zinc/39/44/88/176394488.db2.gz KOACDBZYQWAWEP-LBPRGKRZSA-N 1 0 269.392 3.672 40 0 CHABRO CCn1c2ccccc2nc1CCC[NH+]1CCCCCC1 ZINC000076556392 177037616 /nfs/dbraw/zinc/03/76/16/177037616.db2.gz WRVIOTUREIMXOV-UHFFFAOYSA-N 1 0 285.435 3.865 40 0 CHABRO Nc1ccccc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000012647942 260063257 /nfs/dbraw/zinc/06/32/57/260063257.db2.gz BOQIXJJMWCIXRD-UHFFFAOYSA-N 1 0 280.415 3.691 40 0 CHABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCOc1cccc(C=O)c1 ZINC000217794935 533734677 /nfs/dbraw/zinc/73/46/77/533734677.db2.gz DMMOKWRPHDEISO-HZPDHXFCSA-N 1 0 289.419 3.921 40 0 CHABRO [NH3+]CCNc1ccnc2c(Sc3ccccc3)cccc12 ZINC000222683393 534637235 /nfs/dbraw/zinc/63/72/35/534637235.db2.gz QHKZFAYXFGJOKE-UHFFFAOYSA-N 1 0 295.411 3.757 40 0 CHABRO CC[C@H](C)Nc1nc(N2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000243155838 524007348 /nfs/dbraw/zinc/00/73/48/524007348.db2.gz JPDYBXQEZSDWAZ-ZDUSSCGKSA-N 1 0 296.418 3.558 40 0 CHABRO CC[NH2+]Cc1c(C)[nH]c2ccc(O[C@@H](C)CC)cc21 ZINC000223764329 567950554 /nfs/dbraw/zinc/95/05/54/567950554.db2.gz FIHDTQJQDKTLJF-NSHDSACASA-N 1 0 260.381 3.763 40 0 CHABRO c1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)cc1 ZINC000049169307 560085033 /nfs/dbraw/zinc/08/50/33/560085033.db2.gz CTHYXFFTAJWTJS-HNNXBMFYSA-N 1 0 297.402 3.859 40 0 biogenic,in-vitro CHABRO CC1=C[C@@H](C)[C@H](C[N@H+]2CCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000061854986 566822156 /nfs/dbraw/zinc/82/21/56/566822156.db2.gz ZINAYKAEPVIUEM-LVQVYYBASA-N 1 0 251.414 3.539 40 0 CHABRO CC(C)[NH2+]CCC[C@@H](C)Nc1cc(O)cc2cccnc21 ZINC000001687527 566996174 /nfs/dbraw/zinc/99/61/74/566996174.db2.gz BQXVFZVEBYAYEJ-CYBMUJFWSA-N 1 0 287.407 3.519 40 0 CHABRO [NH3+][C@@H]1C[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000070453060 567118955 /nfs/dbraw/zinc/11/89/55/567118955.db2.gz GWTLKBGRQVGFTJ-WDEREUQCSA-N 1 0 267.250 3.780 40 0 CHABRO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@H]1c1cccc2cccnc21 ZINC000020111401 567126844 /nfs/dbraw/zinc/12/68/44/567126844.db2.gz MFLKAHOBCOBBJX-IBGZPJMESA-N 1 0 299.377 3.951 40 0 biogenic CHABRO C[N@@H+]1CC[C@H](C(c2ccccc2)c2ccccc2)C1 ZINC000001569005 567838161 /nfs/dbraw/zinc/83/81/61/567838161.db2.gz RAMVHYAPKXXGBL-KRWDZBQOSA-N 1 0 251.373 3.770 40 0 CHABRO CC[NH+](CC)C[C@@H](O)C1CCC(c2ccccc2)CC1 ZINC000001593756 567839158 /nfs/dbraw/zinc/83/91/58/567839158.db2.gz KCPQCTKXSFRSEY-DAWZGUTISA-N 1 0 275.436 3.663 40 0 CHABRO COc1ccc(C[C@@H]2C3=C(CCCC3)CC[N@H+]2C)cc1 ZINC000001611834 567839204 /nfs/dbraw/zinc/83/92/04/567839204.db2.gz CRXXSGLBECOUQH-GOSISDBHSA-N 1 0 271.404 3.812 40 0 CHABRO CC[NH+](CC)CCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001635908 567840135 /nfs/dbraw/zinc/84/01/35/567840135.db2.gz UCWCWHQLUZVUQN-UHFFFAOYSA-N 1 0 274.191 3.908 40 0 CHABRO CC(=O)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001675317 567841093 /nfs/dbraw/zinc/84/10/93/567841093.db2.gz ZUVZZEPDCCMCJG-UHFFFAOYSA-N 1 0 281.399 3.513 40 0 CHABRO COc1ccc([C@H]2[NH2+]CCC[C@@H]2c2ccccc2)cc1 ZINC000001700403 567841775 /nfs/dbraw/zinc/84/17/75/567841775.db2.gz HOBHPIQVTRUWBT-QZTJIDSGSA-N 1 0 267.372 3.904 40 0 CHABRO CCCCCC[n+]1ccc(C(=O)c2ccccc2)cc1 ZINC000001712167 567841984 /nfs/dbraw/zinc/84/19/84/567841984.db2.gz SMQFWNUWBGTLOD-UHFFFAOYSA-N 1 0 268.380 3.785 40 0 CHABRO CC[NH+](CC)C[C@@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000002048511 567844599 /nfs/dbraw/zinc/84/45/99/567844599.db2.gz LYKGLTYXVNAOPD-QGZVFWFLSA-N 1 0 297.442 3.900 40 0 CHABRO C[C@H]1[C@@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000004375821 567856867 /nfs/dbraw/zinc/85/68/67/567856867.db2.gz FAHFBUDMUKEFDS-VLQPXKRTSA-N 1 0 281.399 3.802 40 0 CHABRO CCCn1c2ccccc2nc1C[N@@H+]1CCCC[C@H]1C ZINC000028515309 567884087 /nfs/dbraw/zinc/88/40/87/567884087.db2.gz LQFWBPPVGCCXKA-CQSZACIVSA-N 1 0 271.408 3.821 40 0 CHABRO CCC[N@H+]1CC=C(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000073636290 567893001 /nfs/dbraw/zinc/89/30/01/567893001.db2.gz DAUPLRYHKUGQOT-UHFFFAOYSA-N 1 0 275.783 3.715 40 0 CHABRO CC[N@H+]1CC=C(c2nc3ccc(F)cc3s2)CC1 ZINC000073638886 567893457 /nfs/dbraw/zinc/89/34/57/567893457.db2.gz UWDSGAFYZBKMTM-UHFFFAOYSA-N 1 0 262.353 3.544 40 0 CHABRO CCCCO[C@@H]1OC[N@@H+](C2CCCCC2)CC1(C)C ZINC000061916437 567897178 /nfs/dbraw/zinc/89/71/78/567897178.db2.gz QTUOZAGXZXTNCK-OAHLLOKOSA-N 1 0 269.429 3.778 40 0 CHABRO c1ccc2c(c1)nc(C1CCCC1)n2C[C@@H]1CCC[NH2+]C1 ZINC000096510517 567897845 /nfs/dbraw/zinc/89/78/45/567897845.db2.gz JWFPIALVSZDWTA-CQSZACIVSA-N 1 0 283.419 3.694 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096215260 567910027 /nfs/dbraw/zinc/91/00/27/567910027.db2.gz WKNRVMJQSOEODR-QGZVFWFLSA-N 1 0 292.492 3.692 40 0 CHABRO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000072211332 567917614 /nfs/dbraw/zinc/91/76/14/567917614.db2.gz WGQOXVXOBQPHQV-KRWDZBQOSA-N 1 0 252.361 3.727 40 0 CHABRO CC(C)Oc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072211919 567917628 /nfs/dbraw/zinc/91/76/28/567917628.db2.gz QIFGOQMSGVUKPP-OAHLLOKOSA-N 1 0 262.397 3.804 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211614 567917710 /nfs/dbraw/zinc/91/77/10/567917710.db2.gz JXWLYYIGNWYILH-GFCCVEGCSA-N 1 0 283.213 3.637 40 0 CHABRO CCCNc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072213154 567917972 /nfs/dbraw/zinc/91/79/72/567917972.db2.gz MMOCIWKHBDAZJF-HNNXBMFYSA-N 1 0 261.413 3.839 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212948 567918168 /nfs/dbraw/zinc/91/81/68/567918168.db2.gz FXQSJNVYRPNRIR-INIZCTEOSA-N 1 0 275.440 3.862 40 0 CHABRO CC(C)N(c1ncccc1[C@H]1CCCC[NH2+]1)C(C)C ZINC000072213029 567918423 /nfs/dbraw/zinc/91/84/23/567918423.db2.gz WYPPABJRQGMXLY-OAHLLOKOSA-N 1 0 261.413 3.519 40 0 CHABRO CCN(C)c1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072212739 567918640 /nfs/dbraw/zinc/91/86/40/567918640.db2.gz OGMORFPQSNTMLI-MRXNPFEDSA-N 1 0 275.440 3.721 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(NCC(C)C)nc1 ZINC000072213330 567919347 /nfs/dbraw/zinc/91/93/47/567919347.db2.gz VSZXZKKBEVPYOD-OAHLLOKOSA-N 1 0 261.413 3.696 40 0 CHABRO c1ccc(Nc2ncccc2[C@H]2CCCC[NH2+]2)cc1 ZINC000072214151 567919687 /nfs/dbraw/zinc/91/96/87/567919687.db2.gz FTBBXBTXDNOLIR-OAHLLOKOSA-N 1 0 253.349 3.640 40 0 CHABRO CC(C)(C)Sc1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072217373 567919930 /nfs/dbraw/zinc/91/99/30/567919930.db2.gz XXMIDJNGHNKXOI-LBPRGKRZSA-N 1 0 250.411 3.787 40 0 CHABRO CN(c1ccccc1)c1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072214184 567920066 /nfs/dbraw/zinc/92/00/66/567920066.db2.gz NZTASPBDOPFPFL-INIZCTEOSA-N 1 0 267.376 3.616 40 0 CHABRO COc1ncc([C@H]2CCC[N@@H+]2Cc2ccccc2)cc1C ZINC000072217711 567920192 /nfs/dbraw/zinc/92/01/92/567920192.db2.gz VKFCCANMAIBERQ-QGZVFWFLSA-N 1 0 282.387 3.736 40 0 CHABRO Cc1cc([C@@H]2CCC[N@H+]2CC(C)C)cnc1Cl ZINC000072217783 567920232 /nfs/dbraw/zinc/92/02/32/567920232.db2.gz MFIYDXZLLXPSHG-ZDUSSCGKSA-N 1 0 252.789 3.836 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215944 567920764 /nfs/dbraw/zinc/92/07/64/567920764.db2.gz PJJYMBMZBDOSSN-QGZVFWFLSA-N 1 0 287.451 3.865 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1c[nH]c(=S)cc1C ZINC000072218326 567920985 /nfs/dbraw/zinc/92/09/85/567920985.db2.gz BACFDWQOOLTLLS-ZDUSSCGKSA-N 1 0 250.411 3.616 40 0 CHABRO CSc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072216901 567921001 /nfs/dbraw/zinc/92/10/01/567921001.db2.gz QKXLLSQVJCQSRY-CYBMUJFWSA-N 1 0 250.411 3.739 40 0 CHABRO Cc1[nH]c(=O)ccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218227 567921086 /nfs/dbraw/zinc/92/10/86/567921086.db2.gz NMOCIPNDBINPRR-QGZVFWFLSA-N 1 0 282.387 3.823 40 0 CHABRO Cc1cc([C@@H]2CCCC[N@H+]2C(C)C)c[nH]c1=S ZINC000072218280 567921395 /nfs/dbraw/zinc/92/13/95/567921395.db2.gz PFBKRGPFROJBQN-ZDUSSCGKSA-N 1 0 250.411 3.614 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219281 567921857 /nfs/dbraw/zinc/92/18/57/567921857.db2.gz IOJSXICHYZJXEK-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218937 567921899 /nfs/dbraw/zinc/92/18/99/567921899.db2.gz BOCUKFDXSLRECS-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO CC(C)C[NH2+]Cc1cccn1-c1ccc(Cl)cc1 ZINC000113704142 567925967 /nfs/dbraw/zinc/92/59/67/567925967.db2.gz AIFAPSZODONQKQ-UHFFFAOYSA-N 1 0 262.784 3.876 40 0 CHABRO C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2[NH3+] ZINC000118930989 567927438 /nfs/dbraw/zinc/92/74/38/567927438.db2.gz OMKYOYBEVIPBMI-XCBYOTJYSA-N 1 0 291.479 3.717 40 0 CHABRO CC[n+]1ccc(-c2nc3c(cc(C)cc3C)s2)cc1 ZINC000226773254 567929243 /nfs/dbraw/zinc/92/92/43/567929243.db2.gz SEJOLRAKYHZVNL-UHFFFAOYSA-N 1 0 269.393 3.888 40 0 CHABRO CCC[n+]1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000226773240 567929246 /nfs/dbraw/zinc/92/92/46/567929246.db2.gz DVARFAUDNCBGHY-UHFFFAOYSA-N 1 0 269.393 3.969 40 0 CHABRO [NH3+][C@H]1C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000070453057 567930731 /nfs/dbraw/zinc/93/07/31/567930731.db2.gz GWTLKBGRQVGFTJ-MNOVXSKESA-N 1 0 267.250 3.780 40 0 CHABRO CC[NH+](CC)CCCNc1nc(-c2ccccc2)cs1 ZINC000004188905 567932444 /nfs/dbraw/zinc/93/24/44/567932444.db2.gz HMVGDRKLKJRALA-UHFFFAOYSA-N 1 0 289.448 3.954 40 0 CHABRO CCOc1cccc([C@H](Cc2ccccc2)[NH2+]C)c1 ZINC000001667121 567937462 /nfs/dbraw/zinc/93/74/62/567937462.db2.gz BHSRWFSOFWREBM-KRWDZBQOSA-N 1 0 255.361 3.589 40 0 CHABRO c1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315200 567944024 /nfs/dbraw/zinc/94/40/24/567944024.db2.gz VQDSEALOPLYXAR-UHFFFAOYSA-N 1 0 291.398 3.943 40 0 CHABRO CCC[NH2+][C@@H](CC)c1ccc(OCC)c(OC)c1 ZINC000222638315 567949054 /nfs/dbraw/zinc/94/90/54/567949054.db2.gz SHQFMMSUWPYTDN-ZDUSSCGKSA-N 1 0 251.370 3.545 40 0 CHABRO CCCn1c(C)c(C[NH3+])c2cc(OC(C)C)ccc21 ZINC000223756269 567950626 /nfs/dbraw/zinc/95/06/26/567950626.db2.gz FXSIHWANWFASLK-UHFFFAOYSA-N 1 0 260.381 3.606 40 0 CHABRO COCCC[NH2+][C@H](C)c1ccccc1OC1CCCC1 ZINC000225161498 567952439 /nfs/dbraw/zinc/95/24/39/567952439.db2.gz WSUXAZJPGICAPM-CQSZACIVSA-N 1 0 277.408 3.695 40 0 CHABRO CCCCOc1cccc([C@H](C)[NH2+]CCCOC)c1 ZINC000225166727 567952734 /nfs/dbraw/zinc/95/27/34/567952734.db2.gz OVLCUWUURLYGNN-AWEZNQCLSA-N 1 0 265.397 3.553 40 0 CHABRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(OC2CCCC2)c1 ZINC000225167478 567952782 /nfs/dbraw/zinc/95/27/82/567952782.db2.gz LRNVTYKREVBMEX-KDOFPFPSSA-N 1 0 289.419 3.838 40 0 CHABRO Cn1c(C[NH2+]C2CCCCC2)ccc1Cc1ccco1 ZINC000226021407 567955267 /nfs/dbraw/zinc/95/52/67/567955267.db2.gz PNCAFJNRHKXEGE-UHFFFAOYSA-N 1 0 272.392 3.631 40 0 CHABRO COc1cc(C[NH2+]CC(C)C)ccc1OC1CCCC1 ZINC000032123263 567955993 /nfs/dbraw/zinc/95/59/93/567955993.db2.gz BKRWPRGWUBLQPU-UHFFFAOYSA-N 1 0 277.408 3.762 40 0 CHABRO CN(CC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC000066189055 570245061 /nfs/dbraw/zinc/24/50/61/570245061.db2.gz WRPQIQFDQDMHMU-UHFFFAOYSA-N 1 0 252.446 3.515 40 0 CHABRO Oc1cccc([C@]23CCCC[C@H]2C[N@H+](CC2CC2)CC3)c1 ZINC000011678389 570220132 /nfs/dbraw/zinc/22/01/32/570220132.db2.gz KFIQKMINEHFZSM-PKOBYXMFSA-N 1 0 285.431 3.936 40 0 CHABRO CC(C)[C@@H]1C[C@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C ZINC000252492253 570391372 /nfs/dbraw/zinc/39/13/72/570391372.db2.gz MGPYHEWUULDAER-ZFWWWQNUSA-N 1 0 290.407 3.856 40 0 CHABRO C[NH2+]C[C@@H]1C[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1 ZINC000038410378 1118391114 /nfs/dbraw/zinc/39/11/14/1118391114.db2.gz IBWCRYXZCIFQHF-KFKAGJAMSA-N 1 0 297.373 3.563 40 0 CHABRO CC[C@@H](C)Nc1nc(N[C@H](C)CC)[nH+]c(N[C@@H](C)CC)n1 ZINC000255189172 1121696916 /nfs/dbraw/zinc/69/69/16/1121696916.db2.gz OEPDXZREYVLSAP-UTUOFQBUSA-N 1 0 294.447 3.503 40 0 CHABRO 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+] ZINC000004073563 230368411 /nfs/dbraw/zinc/36/84/11/230368411.db2.gz WDTAJXMIXADUTH-KHOSGYARSA-N 1 0 291.479 3.717 40 0 CHABRO C[C@H]1CCC[C@H](C)[NH+]1CCCOc1cccc(C=O)c1 ZINC000217790693 230396722 /nfs/dbraw/zinc/39/67/22/230396722.db2.gz WYOIWKKKCRPOMC-GJZGRUSLSA-N 1 0 275.392 3.531 40 0 CHABRO CC(C)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096047904 185072688 /nfs/dbraw/zinc/07/26/88/185072688.db2.gz UEZBNGBNVWKXSF-MRXNPFEDSA-N 1 0 291.410 3.853 40 0 CHABRO c1cc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)cs1 ZINC000096049294 185073371 /nfs/dbraw/zinc/07/33/71/185073371.db2.gz UQKVOKVVVSHLBA-UHFFFAOYSA-N 1 0 290.476 3.589 40 0 CHABRO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000096058309 185078467 /nfs/dbraw/zinc/07/84/67/185078467.db2.gz PGRQITFCFUKSNX-BZSNNMDCSA-N 1 0 298.455 3.580 40 0 CHABRO CCC[NH2+]Cc1cccn1Cc1ccc(Cl)cc1 ZINC000090996199 180083319 /nfs/dbraw/zinc/08/33/19/180083319.db2.gz XDJMTUWTFDATTA-UHFFFAOYSA-N 1 0 262.784 3.689 40 0 CHABRO CCCCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225162061 189744652 /nfs/dbraw/zinc/74/46/52/189744652.db2.gz HIVCPSLTVHCDSA-GJZGRUSLSA-N 1 0 277.408 3.695 40 0 CHABRO CC(C)COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167644 189745098 /nfs/dbraw/zinc/74/50/98/189745098.db2.gz BDFLIQKTEPIHFU-PBHICJAKSA-N 1 0 277.408 3.551 40 0 CHABRO CC[C@H](C)Oc1cccc([C@H](C)[NH2+]CCCOC)c1 ZINC000225167074 189745225 /nfs/dbraw/zinc/74/52/25/189745225.db2.gz BSSLLKWLYFGZDA-KBPBESRZSA-N 1 0 265.397 3.551 40 0 CHABRO CCCC[NH2+]Cc1ccc(Cc2ccco2)n1CC ZINC000226021519 189768412 /nfs/dbraw/zinc/76/84/12/189768412.db2.gz YMKAQKDDIFBBSN-UHFFFAOYSA-N 1 0 260.381 3.582 40 0 CHABRO CCOc1ccc(C[NH2+]Cc2ccc(F)s2)cc1 ZINC000256050493 190003389 /nfs/dbraw/zinc/00/33/89/190003389.db2.gz FFOHHNIAABQBTN-UHFFFAOYSA-N 1 0 265.353 3.576 40 0 CHABRO Cc1ccc(Oc2cccc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000257198297 190010475 /nfs/dbraw/zinc/01/04/75/190010475.db2.gz YHXCJVCBKZSCPV-AWEZNQCLSA-N 1 0 254.333 3.607 40 0 CHABRO Cc1ccc(Oc2cccc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000257198298 190010629 /nfs/dbraw/zinc/01/06/29/190010629.db2.gz YHXCJVCBKZSCPV-CQSZACIVSA-N 1 0 254.333 3.607 40 0 CHABRO C[NH2+]C1CCC(Cc2cccc(Nc3ccccn3)n2)CC1 ZINC000257224536 190015454 /nfs/dbraw/zinc/01/54/54/190015454.db2.gz FCFFJAVIOWKNIS-UHFFFAOYSA-N 1 0 296.418 3.541 40 0 CHABRO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257235474 190017070 /nfs/dbraw/zinc/01/70/70/190017070.db2.gz GXZUALRXYWUIBX-QGZVFWFLSA-N 1 0 296.418 3.655 40 0 CHABRO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1c1ccncn1 ZINC000257253036 190020618 /nfs/dbraw/zinc/02/06/18/190020618.db2.gz JXIOJOIJGYNWRD-CQSZACIVSA-N 1 0 273.405 3.574 40 0 CHABRO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc2nccn21 ZINC000257319028 190033572 /nfs/dbraw/zinc/03/35/72/190033572.db2.gz VQJVMXJZACXGAF-INIZCTEOSA-N 1 0 295.361 3.811 40 0 CHABRO CC[C@]1(C)C[C@@](CC[NH3+])(c2ccc(C)cc2)CCO1 ZINC000000171684 169563160 /nfs/dbraw/zinc/56/31/60/169563160.db2.gz LSXKXJPDFZUXNV-SJORKVTESA-N 1 0 261.409 3.561 40 0 CHABRO CCCC[NH+](CCCC)[C@H]1CCC[C@@H](OC(=O)NC)C1 ZINC000001714561 169748766 /nfs/dbraw/zinc/74/87/66/169748766.db2.gz NTJFHLLKGBXEJW-LSDHHAIUSA-N 1 0 284.444 3.556 40 0 CHABRO O[C@@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 ZINC000004934843 170042184 /nfs/dbraw/zinc/04/21/84/170042184.db2.gz KHKONORVTCGPCB-ZQIUZPCESA-N 1 0 293.838 3.886 40 0 CHABRO Cc1ccccc1NC(=O)[C@H]([NH2+]C1CCCCC1)C(C)C ZINC000005000441 170052739 /nfs/dbraw/zinc/05/27/39/170052739.db2.gz PYVGUUWPKLATOD-QGZVFWFLSA-N 1 0 288.435 3.880 40 0 CHABRO Cc1c[n+](C)ccc1/C=C/C1=CC[C@H]2C[C@@H]1C2(C)C ZINC000005019032 170056398 /nfs/dbraw/zinc/05/63/98/170056398.db2.gz SNNMWRLBOUDVMZ-CSLAMCDYSA-N 1 0 254.397 3.825 40 0 CHABRO CC(C)C[NH2+]C[C@H](O)Cc1ccc(Oc2ccccc2)cc1 ZINC000005962682 170163422 /nfs/dbraw/zinc/16/34/22/170163422.db2.gz OYOADQBFRGBQPZ-QGZVFWFLSA-N 1 0 299.414 3.628 40 0 CHABRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000005968225 170164637 /nfs/dbraw/zinc/16/46/37/170164637.db2.gz PETBQYHYPIXEKG-UHFFFAOYSA-N 1 0 294.398 3.843 40 0 CHABRO CC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000006497339 170207315 /nfs/dbraw/zinc/20/73/15/170207315.db2.gz HMBILZWWBUQWOP-UHFFFAOYSA-N 1 0 259.324 3.514 40 0 CHABRO Cc1ccc(C(C)C)cc1[C@H](O)C[NH+]1CCCCC1 ZINC000006522867 170209601 /nfs/dbraw/zinc/20/96/01/170209601.db2.gz KYZKBGNXPBDDHT-QGZVFWFLSA-N 1 0 261.409 3.638 40 0 CHABRO CCCC[NH2+]Cc1cc(Br)ccc1OCC ZINC000007261654 170273826 /nfs/dbraw/zinc/27/38/26/170273826.db2.gz YEPGZKOUVASLRH-UHFFFAOYSA-N 1 0 286.213 3.738 40 0 CHABRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000008880138 170358073 /nfs/dbraw/zinc/35/80/73/170358073.db2.gz XOXDIBPAIANJHB-CYBMUJFWSA-N 1 0 297.446 3.767 40 0 CHABRO Cc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000016758585 170711876 /nfs/dbraw/zinc/71/18/76/170711876.db2.gz GZVCYICVYOJEAU-OAHLLOKOSA-N 1 0 293.451 3.539 40 0 CHABRO CCN(CC[NH+](CC)CC)C(=O)Nc1ccc(Cl)cc1 ZINC000019074493 170751697 /nfs/dbraw/zinc/75/16/97/170751697.db2.gz WFJIPFWLQAPGDO-UHFFFAOYSA-N 1 0 297.830 3.536 40 0 CHABRO [NH3+]Cc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000020470234 171212232 /nfs/dbraw/zinc/21/22/32/171212232.db2.gz LBVQJDMFVIQBPS-UHFFFAOYSA-N 1 0 278.149 3.700 40 0 CHABRO CCCOc1ccc(C[NH2+]CC(C)C)cc1OCC ZINC000020933295 171281092 /nfs/dbraw/zinc/28/10/92/171281092.db2.gz NZVZGBACUZWPQK-UHFFFAOYSA-N 1 0 265.397 3.620 40 0 CHABRO CCOc1cccc(C[NH2+]CCc2ccccc2F)c1 ZINC000022074630 171351917 /nfs/dbraw/zinc/35/19/17/171351917.db2.gz BTDDIGUDYZLFRB-UHFFFAOYSA-N 1 0 273.351 3.557 40 0 CHABRO CC[C@H]([NH2+]C)c1ccc(OCc2ccccc2)cc1 ZINC000034822531 171875807 /nfs/dbraw/zinc/87/58/07/171875807.db2.gz ALSAWHMYPQVBMQ-KRWDZBQOSA-N 1 0 255.361 3.936 40 0 CHABRO [NH3+]CCCc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000040417911 174256504 /nfs/dbraw/zinc/25/65/04/174256504.db2.gz MAGKAIOCYCIHTO-UHFFFAOYSA-N 1 0 299.805 3.629 40 0 CHABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccncc2)cc1 ZINC000072211050 176342778 /nfs/dbraw/zinc/34/27/78/176342778.db2.gz XAEJVXZQIVOGMD-KRWDZBQOSA-N 1 0 252.361 3.809 40 0 CHABRO Clc1ccccc1Cc1cccc(C2CC[NH2+]CC2)n1 ZINC000072348404 176373332 /nfs/dbraw/zinc/37/33/32/176373332.db2.gz NVPJXYKWOHZYEG-UHFFFAOYSA-N 1 0 286.806 3.793 40 0 CHABRO Cc1cccc(Cc2cc(C)nc([C@H]3CCC[NH2+]C3)c2)c1 ZINC000072354416 176375205 /nfs/dbraw/zinc/37/52/05/176375205.db2.gz LDPKQPOWFXQWEP-SFHVURJKSA-N 1 0 280.415 3.756 40 0 CHABRO Cc1cc(Cc2ccccc2C)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072354408 176375230 /nfs/dbraw/zinc/37/52/30/176375230.db2.gz SCVKCIITVLCSKA-SFHVURJKSA-N 1 0 280.415 3.756 40 0 CHABRO Cc1cc(-c2cccc(C)c2C)nc(C2CC[NH2+]CC2)n1 ZINC000072365356 176380560 /nfs/dbraw/zinc/38/05/60/176380560.db2.gz SGXPJIOHWWKEGQ-UHFFFAOYSA-N 1 0 281.403 3.536 40 0 CHABRO FC(F)(F)Oc1ccccc1C[C@@H]1CCCC[NH2+]C1 ZINC000077293296 177249928 /nfs/dbraw/zinc/24/99/28/177249928.db2.gz VMCUMPJCUKKCAZ-NSHDSACASA-N 1 0 273.298 3.517 40 0 in-vitro CHABRO CC[NH+](Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000061799833 521348144 /nfs/dbraw/zinc/34/81/44/521348144.db2.gz RUFUOOQAEJFOCC-UHFFFAOYSA-N 1 0 261.315 3.987 40 0 CHABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCOc1cccc(C=O)c1 ZINC000217790540 533734625 /nfs/dbraw/zinc/73/46/25/533734625.db2.gz WYOIWKKKCRPOMC-HUUCEWRRSA-N 1 0 275.392 3.531 40 0 CHABRO [NH3+]CCCNc1ccnc2c(Oc3ccccc3)cccc12 ZINC000222684033 534615752 /nfs/dbraw/zinc/61/57/52/534615752.db2.gz SEWYIDRRJWZQRM-UHFFFAOYSA-N 1 0 293.370 3.788 40 0 CHABRO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540977 529180549 /nfs/dbraw/zinc/18/05/49/529180549.db2.gz JKUGUMRUYXRVFE-QWHCGFSZSA-N 1 0 273.376 3.888 40 0 CHABRO c1ccc2sc([C@H]3CC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000049168953 560084941 /nfs/dbraw/zinc/08/49/41/560084941.db2.gz ZIQSDGOMSCHWKF-AWEZNQCLSA-N 1 0 295.411 3.681 40 0 biogenic,in-vitro CHABRO C[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000027986995 566892694 /nfs/dbraw/zinc/89/26/94/566892694.db2.gz PBHMKDUYKWHYEX-UHFFFAOYSA-N 1 0 295.361 3.740 40 0 CHABRO C[NH2+]C[C@H]1c2ccccc2CSc2c(OC)cccc21 ZINC000002021862 566998265 /nfs/dbraw/zinc/99/82/65/566998265.db2.gz QUMQGGVPNQOFAT-HNNXBMFYSA-N 1 0 285.412 3.652 40 0 CHABRO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)cc2Cl)C1 ZINC000020081648 567112054 /nfs/dbraw/zinc/11/20/54/567112054.db2.gz UJGDOGDFIJTPLX-HZMBPMFUSA-N 1 0 287.234 3.725 40 0 CHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+][C@H]3CCCC[C@H]3C)cc2c1 ZINC000004130498 567187145 /nfs/dbraw/zinc/18/71/45/567187145.db2.gz MOVBEKVSGZJPOK-DYVFJYSZSA-N 1 0 298.430 3.813 40 0 CHABRO c1[nH]c2ccccc2c1[C@@H](c1ccccn1)[NH+]1CCCC1 ZINC000000101813 567818166 /nfs/dbraw/zinc/81/81/66/567818166.db2.gz KMUFNTCIBVGBFX-SFHVURJKSA-N 1 0 277.371 3.748 40 0 CHABRO O=C1c2ccc3ccccc3c2CC[C@H]1[NH+]1CCCCC1 ZINC000001594872 567838965 /nfs/dbraw/zinc/83/89/65/567838965.db2.gz DEWCHKWQJYCBCB-GOSISDBHSA-N 1 0 279.383 3.823 40 0 CHABRO CC[NH+](CC)[C@@H](C)[C@H](O)c1ccc2cccc3c2c1CC3 ZINC000001592042 567839105 /nfs/dbraw/zinc/83/91/05/567839105.db2.gz FXEIPEMCWVHOLS-DJJJIMSYSA-N 1 0 283.415 3.702 40 0 CHABRO CC[NH+](CC)CCC(=O)c1ccc(OC)c2ccccc12 ZINC000001628198 567839736 /nfs/dbraw/zinc/83/97/36/567839736.db2.gz MNLZCBCLCDEQHW-UHFFFAOYSA-N 1 0 285.387 3.763 40 0 CHABRO CC[NH+](CC)CCCOC(=O)Nc1ccccc1Cl ZINC000001668554 567840817 /nfs/dbraw/zinc/84/08/17/567840817.db2.gz QEYMEAGZNQQUJP-UHFFFAOYSA-N 1 0 284.787 3.620 40 0 CHABRO CC[C@]1(O)C[C@@H]2c3ccccc3CC[N@@H+]2C[C@@H]1CC(C)C ZINC000001678590 567841250 /nfs/dbraw/zinc/84/12/50/567841250.db2.gz RYNPJUSOZNBQIE-UHOSZYNNSA-N 1 0 287.447 3.793 40 0 CHABRO CC[NH+](CC)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000004416393 567857390 /nfs/dbraw/zinc/85/73/90/567857390.db2.gz KHAVOAZXCFZPQI-FMKPAKJESA-N 1 0 253.430 3.560 40 0 CHABRO CC[N@H+](Cc1sccc1Br)C(C)C ZINC000043560086 567860668 /nfs/dbraw/zinc/86/06/68/567860668.db2.gz VWVGMPAQUWKQCI-UHFFFAOYSA-N 1 0 262.216 3.741 40 0 CHABRO Cc1cc(/C=C/C2=CC[N@H+](C)CC2)c(C)n1C1CC1 ZINC000012154303 567862329 /nfs/dbraw/zinc/86/23/29/567862329.db2.gz OLLFHPJVCGGLMI-SNAWJCMRSA-N 1 0 256.393 3.715 40 0 CHABRO Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019210124 567877314 /nfs/dbraw/zinc/87/73/14/567877314.db2.gz UZMXGIYKFYCYJU-RBUKOAKNSA-N 1 0 299.389 3.749 40 0 CHABRO CCCC[C@@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000033946208 567887045 /nfs/dbraw/zinc/88/70/45/567887045.db2.gz YOSQVMGMENUCDX-INIZCTEOSA-N 1 0 259.393 3.832 40 0 in-vitro CHABRO CC[N@H+]1CC=C(c2nc3cc(C)c(C)cc3o2)CC1 ZINC000073636008 567892967 /nfs/dbraw/zinc/89/29/67/567892967.db2.gz GJMMIKAHFWPIHI-UHFFFAOYSA-N 1 0 256.349 3.554 40 0 CHABRO CCC[N@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000073636251 567892997 /nfs/dbraw/zinc/89/29/97/567892997.db2.gz QNRPDEXZTUQSNG-UHFFFAOYSA-N 1 0 258.390 3.795 40 0 CHABRO Clc1ccc(Br)cc1[C@@H]1CCC[NH2+]1 ZINC000003732366 567905571 /nfs/dbraw/zinc/90/55/71/567905571.db2.gz HWGOBFOHCBTYIR-JTQLQIEISA-N 1 0 260.562 3.527 40 0 CHABRO Cc1ccsc1C[NH+](Cc1sccc1C)C[C@H](C)O ZINC000013991513 567912314 /nfs/dbraw/zinc/91/23/14/567912314.db2.gz AMMIRMZXVDDNBN-ZDUSSCGKSA-N 1 0 295.473 3.809 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1OCC ZINC000072211863 567917619 /nfs/dbraw/zinc/91/76/19/567917619.db2.gz JIZSCYOCYBZTCG-OAHLLOKOSA-N 1 0 262.397 3.807 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1Cl ZINC000072211519 567917813 /nfs/dbraw/zinc/91/78/13/567917813.db2.gz JKMUYIKSQWZHRV-CYBMUJFWSA-N 1 0 252.789 3.918 40 0 CHABRO Cc1ccncc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211388 567917906 /nfs/dbraw/zinc/91/79/06/567917906.db2.gz SLWSFWBQMBDCQU-QGZVFWFLSA-N 1 0 252.361 3.727 40 0 CHABRO CCCNc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072213155 567918133 /nfs/dbraw/zinc/91/81/33/567918133.db2.gz MMOCIWKHBDAZJF-OAHLLOKOSA-N 1 0 261.413 3.839 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1NCCC ZINC000072213140 567918172 /nfs/dbraw/zinc/91/81/72/567918172.db2.gz QMZAOKKRICTAQZ-HNNXBMFYSA-N 1 0 261.413 3.841 40 0 CHABRO O=c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000072212274 567918381 /nfs/dbraw/zinc/91/83/81/567918381.db2.gz QQZUJZSQCHLLLV-MRXNPFEDSA-N 1 0 268.360 3.514 40 0 CHABRO CCN(CC)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072212840 567918597 /nfs/dbraw/zinc/91/85/97/567918597.db2.gz LEULWFVPQUYQBN-MRXNPFEDSA-N 1 0 275.440 3.721 40 0 CHABRO CC[C@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213504 567918800 /nfs/dbraw/zinc/91/88/00/567918800.db2.gz OBRGPSBTKPREKR-ZFWWWQNUSA-N 1 0 261.413 3.837 40 0 CHABRO CCCCNc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213657 567918838 /nfs/dbraw/zinc/91/88/38/567918838.db2.gz VWWTUUMLHAYQKR-HNNXBMFYSA-N 1 0 261.413 3.839 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213839 567918846 /nfs/dbraw/zinc/91/88/46/567918846.db2.gz XBHBAWNZMYOTPJ-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213972 567919210 /nfs/dbraw/zinc/91/92/10/567919210.db2.gz VXPHLIDMTIWLBX-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213723 567919391 /nfs/dbraw/zinc/91/93/91/567919391.db2.gz RDIAZRXASJIBCR-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216656 567920452 /nfs/dbraw/zinc/92/04/52/567920452.db2.gz JSZKNZWRGNWSBD-MRXNPFEDSA-N 1 0 273.424 3.619 40 0 CHABRO Cc1cc(Cl)ncc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072217844 567920480 /nfs/dbraw/zinc/92/04/80/567920480.db2.gz QAXQVDCTZOAMSO-CYBMUJFWSA-N 1 0 252.789 3.836 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216046 567920766 /nfs/dbraw/zinc/92/07/66/567920766.db2.gz NEDNRMHCNBMXJV-KRWDZBQOSA-N 1 0 287.451 3.865 40 0 CHABRO Cc1cc(=O)[nH]cc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218167 567921006 /nfs/dbraw/zinc/92/10/06/567921006.db2.gz YXVBGJNEEKPYSG-QGZVFWFLSA-N 1 0 282.387 3.823 40 0 CHABRO CNc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000072219089 567921600 /nfs/dbraw/zinc/92/16/00/567921600.db2.gz BFVRLGVVVMKXLJ-KRWDZBQOSA-N 1 0 281.403 3.769 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219237 567921699 /nfs/dbraw/zinc/92/16/99/567921699.db2.gz PVIZCTHGELKOQT-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1c(OC)cccc1OC ZINC000072221426 567921748 /nfs/dbraw/zinc/92/17/48/567921748.db2.gz CPPIRHUPMGLVJS-ZDUSSCGKSA-N 1 0 263.381 3.641 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219272 567921775 /nfs/dbraw/zinc/92/17/75/567921775.db2.gz BHIYMWBYGQCWBN-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219212 567921871 /nfs/dbraw/zinc/92/18/71/567921871.db2.gz UCHFJJKMYARSRW-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219211 567921902 /nfs/dbraw/zinc/92/19/02/567921902.db2.gz UCHFJJKMYARSRW-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO CCOc1ccc(C(=O)CC[NH+]2CCCCCC2)cc1 ZINC000000340691 567929638 /nfs/dbraw/zinc/92/96/38/567929638.db2.gz VAFZAQNRXMHCPL-UHFFFAOYSA-N 1 0 275.392 3.534 40 0 aggregator CHABRO Cc1cc2cc(C[NH2+][C@@H]3CCCC[C@H]3C)c(=O)[nH]c2cc1C ZINC000004130518 567932407 /nfs/dbraw/zinc/93/24/07/567932407.db2.gz ZVFAZZPOEXSAFE-SJKOYZFVSA-N 1 0 298.430 3.813 40 0 CHABRO Fc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000016449604 567944315 /nfs/dbraw/zinc/94/43/15/567944315.db2.gz OEWOLRPVLKCLLB-UHFFFAOYSA-N 1 0 259.368 3.884 40 0 CHABRO Cc1ccc(CN(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000023247835 567948682 /nfs/dbraw/zinc/94/86/82/567948682.db2.gz YRALUGBYQPLUQB-UHFFFAOYSA-N 1 0 288.460 3.620 40 0 CHABRO C[NH2+]CCCNc1ccnc2cc(Cl)cc(Cl)c21 ZINC000222680958 567949078 /nfs/dbraw/zinc/94/90/78/567949078.db2.gz YCLRIRGJSXDKKL-UHFFFAOYSA-N 1 0 284.190 3.563 40 0 CHABRO CCC[NH2+]Cc1c(C)n(CCC)c2ccc(OC)cc21 ZINC000223765772 567950774 /nfs/dbraw/zinc/95/07/74/567950774.db2.gz SECAIWUKGHXCOO-UHFFFAOYSA-N 1 0 274.408 3.868 40 0 CHABRO CCCCn1c(C)c(C[NH2+]C(C)C)c2cc(O)ccc21 ZINC000223768539 567950776 /nfs/dbraw/zinc/95/07/76/567950776.db2.gz QHUJAAAWIJZNFL-UHFFFAOYSA-N 1 0 274.408 3.953 40 0 CHABRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1OC1CCCC1 ZINC000225162320 567952525 /nfs/dbraw/zinc/95/25/25/567952525.db2.gz RDERECKJMXNEPY-GOEBONIOSA-N 1 0 289.419 3.838 40 0 CHABRO CCCCOc1ccc([C@H](C)[NH2+]CCCOC)cc1 ZINC000225169892 567952796 /nfs/dbraw/zinc/95/27/96/567952796.db2.gz BLSJYEWMLKFLIA-AWEZNQCLSA-N 1 0 265.397 3.553 40 0 CHABRO CCn1c(C[NH2+]Cc2ccco2)ccc1CC(C)C ZINC000226020390 567955405 /nfs/dbraw/zinc/95/54/05/567955405.db2.gz WEYVYUCIPMSXOG-UHFFFAOYSA-N 1 0 260.381 3.589 40 0 CHABRO CCn1c(C[NH2+]Cc2ccco2)ccc1Cc1ccco1 ZINC000226021597 567955472 /nfs/dbraw/zinc/95/54/72/567955472.db2.gz OXCCDGLFWIFZID-UHFFFAOYSA-N 1 0 284.359 3.575 40 0 CHABRO [NH3+]C1(c2c(Br)ccc3ccccc32)CC1 ZINC000575628856 570350180 /nfs/dbraw/zinc/35/01/80/570350180.db2.gz DQPJVNSRSMGLPB-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO C[C@H](C[NH+](C)C)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000065740467 1121205478 /nfs/dbraw/zinc/20/54/78/1121205478.db2.gz OVQPVGKUBSDXLE-OAHLLOKOSA-N 1 0 297.398 3.646 40 0 CHABRO C[NH+]1CCC([C@H]2c3ccccc3CCc3cccnc32)CC1 ZINC000013775751 530051108 /nfs/dbraw/zinc/05/11/08/530051108.db2.gz URXVQALXMZGZCV-IBGZPJMESA-N 1 0 292.426 3.654 40 0 CHABRO c1coc(Cc2ccc(C[NH2+]C3CCCCC3)[nH]2)c1 ZINC000226021168 189768643 /nfs/dbraw/zinc/76/86/43/189768643.db2.gz DHDIACVQLJRRAE-UHFFFAOYSA-N 1 0 258.365 3.621 40 0 CHABRO CCn1c(C[NH2+]C2CCCC2)ccc1Cc1ccco1 ZINC000226021624 189768699 /nfs/dbraw/zinc/76/86/99/189768699.db2.gz ASMWFBGZMJGHFU-UHFFFAOYSA-N 1 0 272.392 3.724 40 0 CHABRO Cc1ccc(Oc2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000257197624 190010328 /nfs/dbraw/zinc/01/03/28/190010328.db2.gz FFFYZFGWZFVLAR-AWEZNQCLSA-N 1 0 268.360 3.649 40 0 CHABRO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257334213 190035359 /nfs/dbraw/zinc/03/53/59/190035359.db2.gz YFAQFNGYWUUQPA-INIZCTEOSA-N 1 0 280.375 3.537 40 0 CHABRO CCOc1ccc([C@@](O)(CC)CC[NH+]2CCCCC2)cc1 ZINC000000201370 169572933 /nfs/dbraw/zinc/57/29/33/169572933.db2.gz DDZMHXQGKGEGKL-GOSISDBHSA-N 1 0 291.435 3.559 40 0 CHABRO Cc1nc(SC2CCCCC2)ccc1[C@@H](C)[NH3+] ZINC000072224884 256704365 /nfs/dbraw/zinc/70/43/65/256704365.db2.gz SSOCZGIOLKAEEP-SNVBAGLBSA-N 1 0 250.411 3.835 40 0 CHABRO CC[C@H]([NH3+])c1cnc(N(C)c2ccccc2)cc1C ZINC000072223349 256705301 /nfs/dbraw/zinc/70/53/01/256705301.db2.gz BBKILCAZJVBQEK-HNNXBMFYSA-N 1 0 255.365 3.568 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1c[nH]c(=S)cc1C ZINC000072218325 256708339 /nfs/dbraw/zinc/70/83/39/256708339.db2.gz BACFDWQOOLTLLS-CYBMUJFWSA-N 1 0 250.411 3.616 40 0 CHABRO C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004119587 169935018 /nfs/dbraw/zinc/93/50/18/169935018.db2.gz GGCLDJYYOISOSI-USJZOSNVSA-N 1 0 281.399 3.705 40 0 CHABRO O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1F ZINC000004934830 170042327 /nfs/dbraw/zinc/04/23/27/170042327.db2.gz HJBRVVDCPXNIPI-KBPBESRZSA-N 1 0 275.367 3.521 40 0 CHABRO Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCO ZINC000005378948 170091754 /nfs/dbraw/zinc/09/17/54/170091754.db2.gz PSNKWPGWQVEKKJ-UHFFFAOYSA-N 1 0 290.386 3.609 40 0 CHABRO C[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000005910048 170154326 /nfs/dbraw/zinc/15/43/26/170154326.db2.gz DDTXJFUFDZFHPW-UHFFFAOYSA-N 1 0 261.752 3.638 40 0 CHABRO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000006354815 170194724 /nfs/dbraw/zinc/19/47/24/170194724.db2.gz JHZBPWNDEQAWLJ-UHFFFAOYSA-N 1 0 299.414 3.782 40 0 CHABRO CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(O)cc5c4CC[N@@H+](C2)[C@@H]31 ZINC000006424653 170200214 /nfs/dbraw/zinc/20/02/14/170200214.db2.gz RAUCDOKTMDOIPF-PUVSGCPBSA-N 1 0 296.414 3.634 40 0 CHABRO O[C@H](CC[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000006584531 170216413 /nfs/dbraw/zinc/21/64/13/170216413.db2.gz QIYOWKYRYLZLET-GOSISDBHSA-N 1 0 269.388 3.749 40 0 CHABRO CCCCCC[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000007261003 170273663 /nfs/dbraw/zinc/27/36/63/170273663.db2.gz LXZMEROUTGNQLV-UHFFFAOYSA-N 1 0 265.397 3.764 40 0 CHABRO c1cc(C[NH2+]C2CCCCCCC2)cc2c1OCO2 ZINC000007521823 170288598 /nfs/dbraw/zinc/28/85/98/170288598.db2.gz LKMNHNFDENGUJA-UHFFFAOYSA-N 1 0 261.365 3.618 40 0 CHABRO Cc1ccc(-c2nc(C)cc(NCCCCCC[NH3+])n2)cc1 ZINC000008731093 170351053 /nfs/dbraw/zinc/35/10/53/170351053.db2.gz QWBDZPMZJBVTHJ-UHFFFAOYSA-N 1 0 298.434 3.691 40 0 CHABRO CCOc1ccc2[nH]cc(/C=C\c3cc[n+](C)cc3)c2c1 ZINC000008767927 170354630 /nfs/dbraw/zinc/35/46/30/170354630.db2.gz NMCRMYYOXIIIIH-UHFFFAOYSA-O 1 0 279.363 3.562 40 0 CHABRO c1ccc(C(O[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000014982770 170651610 /nfs/dbraw/zinc/65/16/10/170651610.db2.gz ZVMFVQWWCVDATC-KRWDZBQOSA-N 1 0 267.372 3.545 40 0 CHABRO C[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875778 171277084 /nfs/dbraw/zinc/27/70/84/171277084.db2.gz RTWQIRHEESQIHA-UHFFFAOYSA-N 1 0 280.165 3.737 40 0 CHABRO COc1ccc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000022076428 171351930 /nfs/dbraw/zinc/35/19/30/171351930.db2.gz ISDUIGUUCLVJJX-UHFFFAOYSA-N 1 0 293.769 3.820 40 0 CHABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(N)cc1Br ZINC000037515911 173247576 /nfs/dbraw/zinc/24/75/76/173247576.db2.gz FPVDVIKKPOYZMN-QWRGUYRKSA-N 1 0 297.240 3.794 40 0 CHABRO CC[C@@H](C)n1c2ccccc2nc1CCCCC[NH3+] ZINC000040163851 174197086 /nfs/dbraw/zinc/19/70/86/174197086.db2.gz OJZMURRQUJAIHH-CYBMUJFWSA-N 1 0 259.397 3.679 40 0 CHABRO Clc1cccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072343727 176372269 /nfs/dbraw/zinc/37/22/69/176372269.db2.gz FUCOJBFSHWXOIF-CYBMUJFWSA-N 1 0 272.779 3.869 40 0 CHABRO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072348548 176373872 /nfs/dbraw/zinc/37/38/72/176373872.db2.gz QTJOGVGUNQJIRW-INIZCTEOSA-N 1 0 266.388 3.866 40 0 CHABRO C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358368 176376456 /nfs/dbraw/zinc/37/64/56/176376456.db2.gz WUGBIZSYOULTQC-ZDUSSCGKSA-N 1 0 287.794 3.606 40 0 CHABRO COc1ccccc1-c1ccc(C2CC[NH+](C)CC2)nc1 ZINC000072365119 176379911 /nfs/dbraw/zinc/37/99/11/176379911.db2.gz FSVFBGNFNZJNSB-UHFFFAOYSA-N 1 0 282.387 3.566 40 0 CHABRO CC(C)[N@@H+]1CCC[C@H]1c1cccc(NCc2ccncc2)n1 ZINC000072364981 176379923 /nfs/dbraw/zinc/37/99/23/176379923.db2.gz VYIFJYDUAXLIML-KRWDZBQOSA-N 1 0 296.418 3.634 40 0 CHABRO Cc1ccsc1C[N@@H+](Cc1cccs1)C[C@H](C)O ZINC000013991349 567912247 /nfs/dbraw/zinc/91/22/47/567912247.db2.gz LAEMBVJICWTPIR-LBPRGKRZSA-N 1 0 281.446 3.501 40 0 CHABRO c1csc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000049168889 560084807 /nfs/dbraw/zinc/08/48/07/560084807.db2.gz PXFNZPCQUHNHLH-LBPRGKRZSA-N 1 0 284.384 3.879 40 0 biogenic,in-vitro CHABRO CC1CC[NH+](CCOC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000015782086 566897515 /nfs/dbraw/zinc/89/75/15/566897515.db2.gz WKKORWDCSLRDMB-UHFFFAOYSA-N 1 0 296.798 3.620 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N[C@H](C)CC ZINC000108368492 567104211 /nfs/dbraw/zinc/10/42/11/567104211.db2.gz NORPIJXUDNAOFT-UKRRQHHQSA-N 1 0 261.413 3.839 40 0 CHABRO Clc1ccccc1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000062718657 567109182 /nfs/dbraw/zinc/10/91/82/567109182.db2.gz KRPNMMZDCPTDIM-UHFFFAOYSA-N 1 0 299.805 3.939 40 0 CHABRO [NH3+][C@@H]1C[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000070453082 567118358 /nfs/dbraw/zinc/11/83/58/567118358.db2.gz GKVNCHFBXNLICC-WDEREUQCSA-N 1 0 267.250 3.780 40 0 CHABRO CCCCC[C@H](C(=O)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000096032894 567138361 /nfs/dbraw/zinc/13/83/61/567138361.db2.gz HYDJQOYJALXHLU-QGZVFWFLSA-N 1 0 289.419 3.923 40 0 in-vitro CHABRO C[C@@H](CN1c2ccccc2Sc2cccnc21)[NH+](C)C ZINC000000000404 567816435 /nfs/dbraw/zinc/81/64/35/567816435.db2.gz OQJBSDFFQWMKBQ-LBPRGKRZSA-N 1 0 285.416 3.634 40 0 world CHABRO CCC[NH2+]Cc1ccc(OC2CCCC2)c(OCC)c1 ZINC000034815828 567827970 /nfs/dbraw/zinc/82/79/70/567827970.db2.gz QCAQELALGCOWMZ-UHFFFAOYSA-N 1 0 277.408 3.906 40 0 CHABRO O[C@@H]1c2c(ccc3ccccc32)CC[C@H]1[NH+]1CCCCC1 ZINC000001569695 567837864 /nfs/dbraw/zinc/83/78/64/567837864.db2.gz BYQHQQHJLPNULE-MJGOQNOKSA-N 1 0 281.399 3.674 40 0 CHABRO CCCCN(CCCC)C(=[NH2+])c1cccc(OC)c1 ZINC000001583658 567838668 /nfs/dbraw/zinc/83/86/68/567838668.db2.gz FAKFGAPDCJNJNN-UHFFFAOYSA-N 1 0 262.397 3.923 40 0 CHABRO C[NH+](C)CC[C@@H](c1ccccc1)c1cc(Cl)ccn1 ZINC000001598684 567838876 /nfs/dbraw/zinc/83/88/76/567838876.db2.gz DMMWCJKQHYDWJU-HNNXBMFYSA-N 1 0 274.795 3.819 40 0 CHABRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000001615810 567839354 /nfs/dbraw/zinc/83/93/54/567839354.db2.gz MMBCFNSKTNXEJX-HOTGVXAUSA-N 1 0 271.404 3.690 40 0 CHABRO CC[NH+](CC)CCO[C@@H]1CCCC[C@H]1Cc1ccccn1 ZINC000001675100 567841003 /nfs/dbraw/zinc/84/10/03/567841003.db2.gz FZAOVOGLQIIWGX-FUHWJXTLSA-N 1 0 290.451 3.541 40 0 CHABRO CCC[NH2+]C(C)(C)COC(=O)Nc1ccccc1Cl ZINC000001671774 567841077 /nfs/dbraw/zinc/84/10/77/567841077.db2.gz MQITZAOQIYBFET-UHFFFAOYSA-N 1 0 284.787 3.667 40 0 CHABRO c1ccc([C@@H](CC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000001675612 567841091 /nfs/dbraw/zinc/84/10/91/567841091.db2.gz RVICOCMXZVHRHL-QGZVFWFLSA-N 1 0 266.388 3.699 40 0 in-vitro CHABRO COc1ccc([C@@H]2[NH2+]CCC[C@@H]2c2ccccc2)cc1 ZINC000001700402 567841608 /nfs/dbraw/zinc/84/16/08/567841608.db2.gz HOBHPIQVTRUWBT-MSOLQXFVSA-N 1 0 267.372 3.904 40 0 CHABRO C[C@H]1[C@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000004375815 567856985 /nfs/dbraw/zinc/85/69/85/567856985.db2.gz FAHFBUDMUKEFDS-PIKADFDJSA-N 1 0 281.399 3.802 40 0 CHABRO C[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000042205912 567891178 /nfs/dbraw/zinc/89/11/78/567891178.db2.gz WPQXIRYYMZJHNN-LLVKDONJSA-N 1 0 268.198 3.681 40 0 CHABRO C[C@H](NCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000019366296 567877469 /nfs/dbraw/zinc/87/74/69/567877469.db2.gz LVJYSFUNASCGCN-HOTGVXAUSA-N 1 0 268.404 3.688 40 0 CHABRO Cc1ccc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C ZINC000019214036 567877616 /nfs/dbraw/zinc/87/76/16/567877616.db2.gz JLCGMILHMHLZPV-RBUKOAKNSA-N 1 0 299.389 3.715 40 0 CHABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1Cl ZINC000031912055 567885675 /nfs/dbraw/zinc/88/56/75/567885675.db2.gz YZHZTOJXJQQTES-MRXNPFEDSA-N 1 0 275.779 3.505 40 0 CHABRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCCCC2)C1 ZINC000076330412 567890521 /nfs/dbraw/zinc/89/05/21/567890521.db2.gz PECOMPUWVKAXGD-AWEZNQCLSA-N 1 0 296.455 3.556 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217347 567919616 /nfs/dbraw/zinc/91/96/16/567919616.db2.gz CJOBJSYONVQAGN-GFCCVEGCSA-N 1 0 250.411 3.739 40 0 CHABRO Cc1cccnc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211121 567917592 /nfs/dbraw/zinc/91/75/92/567917592.db2.gz ASHBIZXTLZJOPU-INIZCTEOSA-N 1 0 252.361 3.727 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211617 567917695 /nfs/dbraw/zinc/91/76/95/567917695.db2.gz ZHLXFBDEFRXDAR-LBPRGKRZSA-N 1 0 283.213 3.781 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1OC(C)C ZINC000072211964 567917988 /nfs/dbraw/zinc/91/79/88/567917988.db2.gz YLMJFHWUEORBEY-OAHLLOKOSA-N 1 0 262.397 3.806 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(CC)CC ZINC000072212915 567918224 /nfs/dbraw/zinc/91/82/24/567918224.db2.gz SXSUIIVLJSQHCG-INIZCTEOSA-N 1 0 275.440 3.865 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213960 567919077 /nfs/dbraw/zinc/91/90/77/567919077.db2.gz MUZGPACWTJGUJA-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213856 567919187 /nfs/dbraw/zinc/91/91/87/567919187.db2.gz ZICVQQHMNWOSBL-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214003 567919206 /nfs/dbraw/zinc/91/92/06/567919206.db2.gz ZWMHTWULULHERO-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213857 567919285 /nfs/dbraw/zinc/91/92/85/567919285.db2.gz ZICVQQHMNWOSBL-INIZCTEOSA-N 1 0 273.424 3.983 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213798 567919306 /nfs/dbraw/zinc/91/93/06/567919306.db2.gz PTTNMSQWJDHPPA-OAHLLOKOSA-N 1 0 259.397 3.591 40 0 CHABRO CC[C@H](C)Nc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213506 567919321 /nfs/dbraw/zinc/91/93/21/567919321.db2.gz OBRGPSBTKPREKR-DZGCQCFKSA-N 1 0 261.413 3.837 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214153 567919554 /nfs/dbraw/zinc/91/95/54/567919554.db2.gz QFGZUVMZLOAUSK-INIZCTEOSA-N 1 0 267.376 3.982 40 0 CHABRO [NH3+][C@H](c1ccccc1)c1ccc(N2CCCCCC2)nc1 ZINC000072225479 567921959 /nfs/dbraw/zinc/92/19/59/567921959.db2.gz NUQLBPUUHBXNEG-GOSISDBHSA-N 1 0 281.403 3.510 40 0 CHABRO Cc1cc(SCc2ccccc2)ncc1[C@H](C)[NH3+] ZINC000072223455 567922670 /nfs/dbraw/zinc/92/26/70/567922670.db2.gz OBCKLXYFAORBQI-LBPRGKRZSA-N 1 0 258.390 3.702 40 0 CHABRO CC[NH2+]Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000113704048 567926242 /nfs/dbraw/zinc/92/62/42/567926242.db2.gz FQNSQHDZVKOLMS-UHFFFAOYSA-N 1 0 268.282 3.606 40 0 CHABRO CC[n+]1cccc(-c2nc3c(cccc3Cl)s2)c1 ZINC000226776672 567929229 /nfs/dbraw/zinc/92/92/29/567929229.db2.gz KWTIDUOJUSPPOA-UHFFFAOYSA-N 1 0 275.784 3.924 40 0 CHABRO CCC[n+]1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000226774538 567929257 /nfs/dbraw/zinc/92/92/57/567929257.db2.gz RSSLBHYSVPPBQP-UHFFFAOYSA-N 1 0 253.325 3.501 40 0 CHABRO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000020092444 567945357 /nfs/dbraw/zinc/94/53/57/567945357.db2.gz HZESBAYBKQOVNF-YOEHRIQHSA-N 1 0 277.408 3.551 40 0 CHABRO CCCC[NH2+][C@H](CC)c1ccc(OC)cc1OC ZINC000222635592 567949111 /nfs/dbraw/zinc/94/91/11/567949111.db2.gz RSPWMIVYBGUBER-CQSZACIVSA-N 1 0 251.370 3.545 40 0 CHABRO CC(C)C[NH2+]Cc1cccn1-c1cccc(Cl)c1 ZINC000223684984 567950424 /nfs/dbraw/zinc/95/04/24/567950424.db2.gz DUDSBFFMLXPARF-UHFFFAOYSA-N 1 0 262.784 3.876 40 0 CHABRO CCCCn1c(C)c(C[NH3+])c2cc(OCC)ccc21 ZINC000223756036 567950539 /nfs/dbraw/zinc/95/05/39/567950539.db2.gz CSEAJROZHRQXAJ-UHFFFAOYSA-N 1 0 260.381 3.607 40 0 CHABRO CC[C@H](C)Oc1ccc2c(c1)c(C[NH3+])c(C)n2CC ZINC000223757371 567950540 /nfs/dbraw/zinc/95/05/40/567950540.db2.gz COZINERCGYRCBH-NSHDSACASA-N 1 0 260.381 3.606 40 0 CHABRO CC[NH2+]Cc1c2cc(OC)ccc2n(C(C)C)c1C ZINC000223761938 567950580 /nfs/dbraw/zinc/95/05/80/567950580.db2.gz BIGCSMOSPMZZKX-UHFFFAOYSA-N 1 0 260.381 3.649 40 0 CHABRO Oc1ccc(Cl)c2ccc(CC[NH+]3CCCCC3)nc12 ZINC000059474702 567956183 /nfs/dbraw/zinc/95/61/83/567956183.db2.gz WGVJKPYSOPMSGR-UHFFFAOYSA-N 1 0 290.794 3.622 40 0 CHABRO CCC(=O)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001847280 570370663 /nfs/dbraw/zinc/37/06/63/570370663.db2.gz WCJFBSYALHQBSK-UHFFFAOYSA-N 1 0 295.426 3.904 40 0 world CHABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H]([NH3+])CC[C@]34C)[C@H]1CC[C@@H]2O ZINC000253500991 1120126745 /nfs/dbraw/zinc/12/67/45/1120126745.db2.gz WMEBIWWUBWHAOJ-YPQZYRTGSA-N 1 0 291.479 3.717 40 0 CHABRO CCC[N@@H+]1C[C@@H](C)[C@](OC(C)=O)(c2ccccc2)C[C@@H]1C ZINC000004188676 1120678020 /nfs/dbraw/zinc/67/80/20/1120678020.db2.gz KOICPRXXJBUEBL-VKJFTORMSA-N 1 0 289.419 3.585 40 0 CHABRO Clc1ccc(-c2nccn2C2CC[NH2+]CC2)cc1Cl ZINC000082735857 178256852 /nfs/dbraw/zinc/25/68/52/178256852.db2.gz GXKSONQXHYIVGQ-UHFFFAOYSA-N 1 0 296.201 3.781 40 0 CHABRO C[NH2+]CCCNc1cc(C)nc2c(Cl)cc(Cl)cc12 ZINC000222689413 529971674 /nfs/dbraw/zinc/97/16/74/529971674.db2.gz HHRKOLJFJPLOJA-UHFFFAOYSA-N 1 0 298.217 3.871 40 0 CHABRO Brc1ccc(C[NH2+]C2CC2)c2ccccc12 ZINC000085395153 179049129 /nfs/dbraw/zinc/04/91/29/179049129.db2.gz GGYZOQVSGRJWLQ-UHFFFAOYSA-N 1 0 276.177 3.854 40 0 CHABRO CCC[n+]1cccc(-c2nc3cc(CC)ccc3o2)c1 ZINC000226774547 189778577 /nfs/dbraw/zinc/77/85/77/189778577.db2.gz RBJDINDAOYNRBT-UHFFFAOYSA-N 1 0 267.352 3.755 40 0 CHABRO c1ccc(Nc2cc(CC[C@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000257237507 190017836 /nfs/dbraw/zinc/01/78/36/190017836.db2.gz HGVARBIECUUMPY-MRXNPFEDSA-N 1 0 281.403 3.757 40 0 CHABRO CCn1nccc1-c1cccc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257322166 190033469 /nfs/dbraw/zinc/03/34/69/190033469.db2.gz WEVDAJZBOIQPKK-MRXNPFEDSA-N 1 0 284.407 3.510 40 0 CHABRO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257334214 190035333 /nfs/dbraw/zinc/03/53/33/190035333.db2.gz YFAQFNGYWUUQPA-MRXNPFEDSA-N 1 0 280.375 3.537 40 0 CHABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccc(Cl)c(Cl)c2)C1 ZINC000242648364 256698841 /nfs/dbraw/zinc/69/88/41/256698841.db2.gz QUIZRRFSKOTIJC-QMTHXVAHSA-N 1 0 287.234 3.725 40 0 CHABRO CC[C@@H]([NH3+])c1cnc(N2CCCc3ccccc32)c(C)c1 ZINC000072222881 256706131 /nfs/dbraw/zinc/70/61/31/256706131.db2.gz SEPNNMCUHQNCPH-MRXNPFEDSA-N 1 0 281.403 3.884 40 0 CHABRO C[n+]1ccc(/C=C/c2csc3ccccc23)cc1 ZINC000001701109 169745313 /nfs/dbraw/zinc/74/53/13/169745313.db2.gz WJJQXHCDALWWAE-VOTSOKGWSA-N 1 0 252.362 3.896 40 0 CHABRO c1cc(-c2ccc(C3=[NH+]CCN3)cc2)oc1-c1ccccc1 ZINC000001758867 169755827 /nfs/dbraw/zinc/75/58/27/169755827.db2.gz ZMSNOWWJQAQAQW-UHFFFAOYSA-N 1 0 288.350 3.963 40 0 in-vitro CHABRO Cc1oc2ccccc2c1/C=C/c1cccc[n+]1C ZINC000005002327 170053232 /nfs/dbraw/zinc/05/32/32/170053232.db2.gz VHVDBFKYMUXQBK-ZHACJKMWSA-N 1 0 250.321 3.736 40 0 CHABRO CCCCC[C@H](C[NH+](C)C)[C@H](O)/C=C\c1ccccc1 ZINC000005052730 170061778 /nfs/dbraw/zinc/06/17/78/170061778.db2.gz DEETXEARXAKUHP-RUDFYFPKSA-N 1 0 275.436 3.819 40 0 CHABRO CCOc1ccc(C(=O)CC[NH2+]C2CCCCC2)cc1 ZINC000005906819 170153351 /nfs/dbraw/zinc/15/33/51/170153351.db2.gz OERMVXVCXCVKHT-UHFFFAOYSA-N 1 0 275.392 3.580 40 0 CHABRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OC ZINC000008534276 170339351 /nfs/dbraw/zinc/33/93/51/170339351.db2.gz PRTDGVOHVUYRHI-ZDUSSCGKSA-N 1 0 271.360 3.555 40 0 CHABRO CC[NH+](CC)CCC[C@@H](C)Nc1ncnc2ccccc21 ZINC000008603353 170342581 /nfs/dbraw/zinc/34/25/81/170342581.db2.gz RJBCXEKWORHRHM-CQSZACIVSA-N 1 0 286.423 3.552 40 0 CHABRO C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]1CCC[NH2+]2 ZINC000008615825 170342859 /nfs/dbraw/zinc/34/28/59/170342859.db2.gz GWLZIXUQGCRFNW-RPVYPSMYSA-N 1 0 289.463 3.652 40 0 CHABRO CC(C)(C)OC(=O)n1cc([C@H]2CCC[NH2+]2)c2ccccc21 ZINC000022015028 171349255 /nfs/dbraw/zinc/34/92/55/171349255.db2.gz SEAWAAMMZNLDCH-CQSZACIVSA-N 1 0 286.375 3.849 40 0 CHABRO CCC[NH2+]Cc1cccn1Cc1ccccc1Cl ZINC000035727295 172380643 /nfs/dbraw/zinc/38/06/43/172380643.db2.gz KMTVEZBQMGGIBH-UHFFFAOYSA-N 1 0 262.784 3.689 40 0 CHABRO Cc1ccc(CN(Cc2ccc(C)cc2)[C@H]2CC[NH2+]C2)cc1 ZINC000072203997 176341942 /nfs/dbraw/zinc/34/19/42/176341942.db2.gz VNIRNKLAJDGGAL-FQEVSTJZSA-N 1 0 294.442 3.668 40 0 CHABRO Clc1ccc(Cc2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072343735 176371900 /nfs/dbraw/zinc/37/19/00/176371900.db2.gz JVQGUQUSJLGCGB-CQSZACIVSA-N 1 0 286.806 3.793 40 0 CHABRO C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072348572 176373469 /nfs/dbraw/zinc/37/34/69/176373469.db2.gz JWUFYHSVNWVEOZ-HNNXBMFYSA-N 1 0 284.378 3.621 40 0 CHABRO C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072348553 176373704 /nfs/dbraw/zinc/37/37/04/176373704.db2.gz QQFZQZVZFZVBAY-AWEZNQCLSA-N 1 0 270.351 3.697 40 0 CHABRO Cc1cc(Cc2ccccc2C)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072354407 176374808 /nfs/dbraw/zinc/37/48/08/176374808.db2.gz SCVKCIITVLCSKA-GOSISDBHSA-N 1 0 280.415 3.756 40 0 CHABRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(C)n2)c1 ZINC000072385063 176389443 /nfs/dbraw/zinc/38/94/43/176389443.db2.gz PLBPCXYIYHYZNY-GOSISDBHSA-N 1 0 297.402 3.521 40 0 CHABRO CCCC[NH2+][C@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406094 177338586 /nfs/dbraw/zinc/33/85/86/177338586.db2.gz GKSQFTYJTUKIMQ-OAHLLOKOSA-N 1 0 256.393 3.987 40 0 CHABRO CC(C)[NH2+]Cc1cccc(OCCC(F)(F)F)c1 ZINC000080936613 260182216 /nfs/dbraw/zinc/18/22/16/260182216.db2.gz ACOBGIBQSJDWKX-UHFFFAOYSA-N 1 0 261.287 3.516 40 0 CHABRO CCSc1ncc(C[NH2+]CCC2=CCCCC2)cn1 ZINC000062717327 262299079 /nfs/dbraw/zinc/29/90/79/262299079.db2.gz QHURJJOZGKQPJT-UHFFFAOYSA-N 1 0 277.437 3.569 40 0 CHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCOc2cccc(C=O)c2)C1 ZINC000217795345 533796994 /nfs/dbraw/zinc/79/69/94/533796994.db2.gz PGVUUDCCVVLVQM-IYBDPMFKSA-N 1 0 289.419 3.636 40 0 CHABRO Cc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000049168987 560084934 /nfs/dbraw/zinc/08/49/34/560084934.db2.gz ISYMAFVDMFWSTA-AWEZNQCLSA-N 1 0 283.419 3.993 40 0 biogenic,in-vitro CHABRO C[C@H]([NH3+])c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 ZINC000113217218 566863616 /nfs/dbraw/zinc/86/36/16/566863616.db2.gz MZINZXIFJMLTOK-NSHDSACASA-N 1 0 298.773 3.664 40 0 CHABRO CCO/C(C)=C\c1sc2ccc(OC)cc2[n+]1CC ZINC000000318014 566873370 /nfs/dbraw/zinc/87/33/70/566873370.db2.gz YHYYGBVMLHYDTC-LUAWRHEFSA-N 1 0 278.397 3.615 40 0 CHABRO C[n+]1cccc([C@@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@@H]32)c1 ZINC000004025878 566974725 /nfs/dbraw/zinc/97/47/25/566974725.db2.gz RSUINDYISXUKNH-VJANTYMQSA-N 1 0 284.423 3.868 40 0 CHABRO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH3+] ZINC000253498593 567072060 /nfs/dbraw/zinc/07/20/60/567072060.db2.gz SXFQJBRXNODJBV-XMFPSASZSA-N 1 0 289.463 3.637 40 0 CHABRO Cc1cc([C@H](c2ccccc2)[NH+](C)C)cc(C)c1O ZINC000255189421 567110067 /nfs/dbraw/zinc/11/00/67/567110067.db2.gz PUBUITBGPJKZIK-INIZCTEOSA-N 1 0 255.361 3.660 40 0 CHABRO CSc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019772826 567123070 /nfs/dbraw/zinc/12/30/70/567123070.db2.gz RITXFPJDTKCQJJ-MRXNPFEDSA-N 1 0 255.386 3.644 40 0 CHABRO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1CCCCC[NH2+]1 ZINC000217460023 567170354 /nfs/dbraw/zinc/17/03/54/567170354.db2.gz ZETSUFZCZGPEEG-QGZVFWFLSA-N 1 0 283.419 3.753 40 0 CHABRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1C ZINC000001615823 567839488 /nfs/dbraw/zinc/83/94/88/567839488.db2.gz MFAHKSHUHHQIIO-IRXDYDNUSA-N 1 0 285.431 3.998 40 0 CHABRO CCCC[C@@H](C(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000001687268 567841270 /nfs/dbraw/zinc/84/12/70/567841270.db2.gz ACEVRBWGLLSTDJ-INIZCTEOSA-N 1 0 259.393 3.914 40 0 CHABRO COc1ccc([C@@H]2[NH2+]CCC[C@H]2c2ccccc2)cc1 ZINC000001700404 567841766 /nfs/dbraw/zinc/84/17/66/567841766.db2.gz HOBHPIQVTRUWBT-ROUUACIJSA-N 1 0 267.372 3.904 40 0 CHABRO O[C@@H](c1cc2c(c3ccccc31)CCCC2)[C@H]1CCCC[NH2+]1 ZINC000001706370 567842231 /nfs/dbraw/zinc/84/22/31/567842231.db2.gz OBRVSZOCVKHAJH-UXHICEINSA-N 1 0 295.426 3.894 40 0 CHABRO C[C@H]1CC(c2ccccc2)(c2ccccc2)C[N@@H+]1C ZINC000001769047 567843402 /nfs/dbraw/zinc/84/34/02/567843402.db2.gz VWXFASZGGRDJAU-HNNXBMFYSA-N 1 0 251.373 3.697 40 0 CHABRO Cc1ccc(-c2ccn3c4ccccc4[o+]c3n2)cc1 ZINC000001855840 567843786 /nfs/dbraw/zinc/84/37/86/567843786.db2.gz RLNLAKFPDDZELV-UHFFFAOYSA-N 1 0 261.304 3.542 40 0 CHABRO CCCCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000002048088 567844279 /nfs/dbraw/zinc/84/42/79/567844279.db2.gz JAZILVNOHQJZKN-CYBMUJFWSA-N 1 0 276.207 3.807 40 0 CHABRO C=C(c1ccccc1)[n+]1ccc(C(=O)c2ccccc2)cc1 ZINC000002570497 567848380 /nfs/dbraw/zinc/84/83/80/567848380.db2.gz MRJGLHZFSBOKSX-UHFFFAOYSA-N 1 0 286.354 3.724 40 0 CHABRO CCOc1cc2c(cc1OC)CC[N@H+](C)[C@@H]2CC(C)C ZINC000003847397 567854036 /nfs/dbraw/zinc/85/40/36/567854036.db2.gz SVKASDAOKTXBIR-OAHLLOKOSA-N 1 0 277.408 3.669 40 0 CHABRO Cn1c(C=CC=Cc2ccccc2)[o+]c2ccccc21 ZINC000017157661 567874997 /nfs/dbraw/zinc/87/49/97/567874997.db2.gz DRZBHELREJXBBS-ORXDPHSNSA-N 1 0 262.332 3.984 40 0 CHABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH3+] ZINC000061946922 567897258 /nfs/dbraw/zinc/89/72/58/567897258.db2.gz SXFQJBRXNODJBV-KYQPOWKGSA-N 1 0 289.463 3.637 40 0 CHABRO CC(C)n1cc([C@H](C[NH3+])C(F)(F)F)c2ccccc21 ZINC000096529471 567897933 /nfs/dbraw/zinc/89/79/33/567897933.db2.gz UFMHAZWYJVYVBM-LBPRGKRZSA-N 1 0 270.298 3.827 40 0 CHABRO CCOC(=O)C[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000072210313 567917518 /nfs/dbraw/zinc/91/75/18/567917518.db2.gz ZRDZFHHCAQVINN-OAHLLOKOSA-N 1 0 295.810 3.820 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212185 567918315 /nfs/dbraw/zinc/91/83/15/567918315.db2.gz XTYQFACUIFRVSP-HNNXBMFYSA-N 1 0 254.333 3.641 40 0 CHABRO CC(C)CNc1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072213258 567918356 /nfs/dbraw/zinc/91/83/56/567918356.db2.gz LCZCELLFRAPVLK-MRXNPFEDSA-N 1 0 275.440 3.942 40 0 CHABRO CC(C)Oc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072211980 567918420 /nfs/dbraw/zinc/91/84/20/567918420.db2.gz BEMMMKCMKCGQSW-HNNXBMFYSA-N 1 0 262.397 3.804 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213799 567918770 /nfs/dbraw/zinc/91/87/70/567918770.db2.gz PTTNMSQWJDHPPA-HNNXBMFYSA-N 1 0 259.397 3.591 40 0 CHABRO CCCCNc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072213675 567918984 /nfs/dbraw/zinc/91/89/84/567918984.db2.gz MBMDAUZLYVOHAX-OAHLLOKOSA-N 1 0 261.413 3.841 40 0 CHABRO CN(c1ccccc1)c1ncccc1C1=[NH+]CCCC1 ZINC000072214269 567919493 /nfs/dbraw/zinc/91/94/93/567919493.db2.gz CKTGMTLBCICPJG-UHFFFAOYSA-N 1 0 265.360 3.823 40 0 CHABRO CC[N@@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214130 567919694 /nfs/dbraw/zinc/91/96/94/567919694.db2.gz JLGZLQINNHAURH-INIZCTEOSA-N 1 0 267.376 3.982 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(OC)nc1C ZINC000072218101 567919779 /nfs/dbraw/zinc/91/97/79/567919779.db2.gz PGEDJJHDWPCGSS-HNNXBMFYSA-N 1 0 262.397 3.726 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214124 567920034 /nfs/dbraw/zinc/92/00/34/567920034.db2.gz CIIHZEFUUKFYLH-HNNXBMFYSA-N 1 0 253.349 3.592 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217745 567920118 /nfs/dbraw/zinc/92/01/18/567920118.db2.gz WLRPOAYLXWZBFG-OAHLLOKOSA-N 1 0 262.397 3.726 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217647 567920437 /nfs/dbraw/zinc/92/04/37/567920437.db2.gz VVNMLPSOUFGIAW-HNNXBMFYSA-N 1 0 270.401 4.000 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217746 567920661 /nfs/dbraw/zinc/92/06/61/567920661.db2.gz WLRPOAYLXWZBFG-HNNXBMFYSA-N 1 0 262.397 3.726 40 0 CHABRO CSc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072216962 567921040 /nfs/dbraw/zinc/92/10/40/567921040.db2.gz ZSXAXJUGCFLXHX-ZDUSSCGKSA-N 1 0 250.411 3.739 40 0 CHABRO CCSc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072217138 567921222 /nfs/dbraw/zinc/92/12/22/567921222.db2.gz ASXFAWIRLBQIDB-ZDUSSCGKSA-N 1 0 250.411 3.741 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc[nH]c1=S ZINC000072217083 567921364 /nfs/dbraw/zinc/92/13/64/567921364.db2.gz PHCRMJZSMGPPHB-CYBMUJFWSA-N 1 0 250.411 3.553 40 0 CHABRO Cc1cc([C@H]2CCCC[N@H+]2C(C)C)cnc1N1CCCC1 ZINC000072218821 567921590 /nfs/dbraw/zinc/92/15/90/567921590.db2.gz UEMCCGXZFJMUHD-QGZVFWFLSA-N 1 0 287.451 3.926 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(NC)cc1C ZINC000072219065 567921610 /nfs/dbraw/zinc/92/16/10/567921610.db2.gz XAEVGDKYKWGDEW-HNNXBMFYSA-N 1 0 261.413 3.759 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218764 567921718 /nfs/dbraw/zinc/92/17/18/567921718.db2.gz CZBAUVHJUSIXJW-MRXNPFEDSA-N 1 0 275.440 3.783 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1c(OC)cccc1OC ZINC000072221437 567921758 /nfs/dbraw/zinc/92/17/58/567921758.db2.gz YFXGOEPGTDXKKS-ZDUSSCGKSA-N 1 0 263.381 3.641 40 0 CHABRO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCC[N@H+]1C ZINC000072219294 567921840 /nfs/dbraw/zinc/92/18/40/567921840.db2.gz UYHMXXMEPCPVBC-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc([C@@H](C)[NH3+])cnc1SC1CCCCC1 ZINC000072222798 567922228 /nfs/dbraw/zinc/92/22/28/567922228.db2.gz BDNXJUGOGFLWFI-LLVKDONJSA-N 1 0 250.411 3.835 40 0 CHABRO CCCN(CCC)c1ccc([C@H]([NH3+])c2ccccc2)cn1 ZINC000072225287 567922517 /nfs/dbraw/zinc/92/25/17/567922517.db2.gz QCFIARLMRRHPGJ-GOSISDBHSA-N 1 0 283.419 3.756 40 0 CHABRO [NH3+][C@@H](c1ccccc1)c1ccc(OCc2ccccc2)nc1 ZINC000072225398 567922533 /nfs/dbraw/zinc/92/25/33/567922533.db2.gz CUDSFAFYIALOFR-IBGZPJMESA-N 1 0 290.366 3.709 40 0 CHABRO CC[C@H]([NH3+])c1ccc(SCc2ccccc2)nc1 ZINC000072225416 567922815 /nfs/dbraw/zinc/92/28/15/567922815.db2.gz NCHRGSXLELQBPL-AWEZNQCLSA-N 1 0 258.390 3.784 40 0 CHABRO [NH3+][C@H]1CC2(CCC2)Sc2ccc(Br)cc21 ZINC000238676071 567928959 /nfs/dbraw/zinc/92/89/59/567928959.db2.gz CXLCGKFFFCRONQ-JTQLQIEISA-N 1 0 284.222 3.867 40 0 CHABRO Cc1c2[nH]c3ccccc3c2c2c([n+]1C)CC(C)(C)CC2 ZINC000000242668 567929489 /nfs/dbraw/zinc/92/94/89/567929489.db2.gz APOIXOPWTIAVHY-UHFFFAOYSA-O 1 0 279.407 3.969 40 0 CHABRO C[NH2+][C@H](C)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000070453332 567930703 /nfs/dbraw/zinc/93/07/03/567930703.db2.gz AVVHBXPHMCYFMY-XVJNWHFHSA-N 1 0 267.372 3.887 40 0 CHABRO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(OC)cc1 ZINC000001669553 567937453 /nfs/dbraw/zinc/93/74/53/567937453.db2.gz HHUWZLMTGJHFSK-KRWDZBQOSA-N 1 0 255.361 3.507 40 0 CHABRO Cc1ccsc1CN(CC[NH+](C)C)Cc1cccs1 ZINC000023247845 567948632 /nfs/dbraw/zinc/94/86/32/567948632.db2.gz DTMCSCQWGVAGIL-UHFFFAOYSA-N 1 0 294.489 3.682 40 0 CHABRO CCC[NH2+]Cc1cc(C)n(Cc2ccccc2C)c1C ZINC000223662125 567950325 /nfs/dbraw/zinc/95/03/25/567950325.db2.gz MEJIUBAKYSMMQK-UHFFFAOYSA-N 1 0 270.420 3.961 40 0 CHABRO CCC[NH2+]Cc1c(C)n(C)c2ccc(OCCC)cc21 ZINC000223766980 567950536 /nfs/dbraw/zinc/95/05/36/567950536.db2.gz RBBJBXWNUMXMCB-UHFFFAOYSA-N 1 0 274.408 3.775 40 0 CHABRO CC[NH2+]Cc1c2cc(OC(C)C)ccc2n(CC)c1C ZINC000223762911 567950632 /nfs/dbraw/zinc/95/06/32/567950632.db2.gz LZWHTVJGIKMJPP-UHFFFAOYSA-N 1 0 274.408 3.866 40 0 CHABRO CCCn1c(C)c(C[NH2+]C)c2cc(OC(C)C)ccc21 ZINC000223759316 567950811 /nfs/dbraw/zinc/95/08/11/567950811.db2.gz NCWBOMVUKUWTDZ-UHFFFAOYSA-N 1 0 274.408 3.866 40 0 CHABRO CCC[NH2+]Cc1c(C)[nH]c2ccc(OC(C)C)cc21 ZINC000223766438 567950841 /nfs/dbraw/zinc/95/08/41/567950841.db2.gz CBINGOPATWEOHA-UHFFFAOYSA-N 1 0 260.381 3.763 40 0 CHABRO CC[C@H](C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000225170657 567952656 /nfs/dbraw/zinc/95/26/56/567952656.db2.gz BHVLXDWIQYEEEP-ZQIUZPCESA-N 1 0 277.408 3.694 40 0 CHABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH3+] ZINC000039471385 570234976 /nfs/dbraw/zinc/23/49/76/570234976.db2.gz SXFQJBRXNODJBV-SLMGBJJTSA-N 1 0 289.463 3.637 40 0 CHABRO CC[NH+](CC)CCOC(=O)C[C@H](C)c1cc(C)ccc1C ZINC000255190704 570323321 /nfs/dbraw/zinc/32/33/21/570323321.db2.gz YXNWRLYGRLVNMZ-INIZCTEOSA-N 1 0 291.435 3.682 40 0 CHABRO C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H]([NH3+])CC[C@]34C)[C@H]1CC[C@H]2O ZINC000253500985 1120126912 /nfs/dbraw/zinc/12/69/12/1120126912.db2.gz WMEBIWWUBWHAOJ-QDVBXKBISA-N 1 0 291.479 3.717 40 0 CHABRO CC[C@H](C)Oc1cccc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000260572154 1120411871 /nfs/dbraw/zinc/41/18/71/1120411871.db2.gz JLUASHWRFHLWRX-JJRVBVJISA-N 1 0 277.408 3.694 40 0 CHABRO CC(C)(C)OC(=O)c1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000117316773 1120496457 /nfs/dbraw/zinc/49/64/57/1120496457.db2.gz SBAOFNIOCYNIKA-UHFFFAOYSA-N 1 0 283.371 3.768 40 0 CHABRO C[C@@H](C[NH+](C)C)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000065740465 1121205156 /nfs/dbraw/zinc/20/51/56/1121205156.db2.gz OVQPVGKUBSDXLE-HNNXBMFYSA-N 1 0 297.398 3.646 40 0 CHABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000054588534 1121293770 /nfs/dbraw/zinc/29/37/70/1121293770.db2.gz ZELGKUMJOLREBI-SJLPKXTDSA-N 1 0 267.372 3.589 40 0 CHABRO COc1ccccc1C[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC000585672787 1123228554 /nfs/dbraw/zinc/22/85/54/1123228554.db2.gz CBRKBJHWROLUDO-HNNXBMFYSA-N 1 0 269.388 3.724 40 0 in-vitro CHABRO C[C@@H]1CCCC[N@@H+]1CCCCOc1ccccc1C=O ZINC000217795941 230396738 /nfs/dbraw/zinc/39/67/38/230396738.db2.gz WMIWTTWSWAXQPG-OAHLLOKOSA-N 1 0 275.392 3.533 40 0 CHABRO C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H]([NH3+])CC[C@]34C)[C@H]1CC[C@@H]2O ZINC000253500987 230401410 /nfs/dbraw/zinc/40/14/10/230401410.db2.gz WMEBIWWUBWHAOJ-RYNUQQTHSA-N 1 0 291.479 3.717 40 0 CHABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H]([NH3+])CC[C@]34C)[C@H]1CC[C@H]2O ZINC000253500992 230401428 /nfs/dbraw/zinc/40/14/28/230401428.db2.gz WMEBIWWUBWHAOJ-ZYPGRWQASA-N 1 0 291.479 3.717 40 0 CHABRO CC[C@H](C)Nc1cc(N2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000244420075 136386401 /nfs/dbraw/zinc/38/64/01/136386401.db2.gz YTAZBEXXALZAIB-ZDUSSCGKSA-N 1 0 296.418 3.558 40 0 CHABRO C[C@@]1(C[NH+]2CCCCC2)OCc2ccccc2-n2cccc21 ZINC000098174884 185697600 /nfs/dbraw/zinc/69/76/00/185697600.db2.gz UFDDQJVAUAWCHY-IBGZPJMESA-N 1 0 296.414 3.709 40 0 CHABRO CCCCCC[NH2+]Cc1cn(C2CCCC2)nc1C ZINC000256051621 190003928 /nfs/dbraw/zinc/00/39/28/190003928.db2.gz JXJFKGKUPBFANO-UHFFFAOYSA-N 1 0 263.429 3.977 40 0 CHABRO Cc1cc(Oc2ccccc2F)nc([C@H]2CCCC[NH2+]2)n1 ZINC000257198180 190010866 /nfs/dbraw/zinc/01/08/66/190010866.db2.gz VIZIJJRTANUBII-CYBMUJFWSA-N 1 0 287.338 3.531 40 0 CHABRO Cc1nccc([C@@H]2CCCC[N@@H+]2Cc2cccs2)n1 ZINC000257229965 190016120 /nfs/dbraw/zinc/01/61/20/190016120.db2.gz GAECQUOEVIAMTA-HNNXBMFYSA-N 1 0 273.405 3.574 40 0 CHABRO CCCn1nccc1-c1cccc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257333897 190035539 /nfs/dbraw/zinc/03/55/39/190035539.db2.gz YDOXMKLIDPCZCG-KRWDZBQOSA-N 1 0 298.434 3.900 40 0 CHABRO c1c2ncccc2[nH]c1C1CC[NH+](Cc2ccccc2)CC1 ZINC000019371879 184534299 /nfs/dbraw/zinc/53/42/99/184534299.db2.gz KONDMWWEHWMJEY-UHFFFAOYSA-N 1 0 291.398 3.943 40 0 CHABRO COc1cc2cccnc2c(NCC[NH2+]C2CCCCC2)c1 ZINC000001873642 533174504 /nfs/dbraw/zinc/17/45/04/533174504.db2.gz AXPPENWHSLAJNX-UHFFFAOYSA-N 1 0 299.418 3.578 40 0 CHABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000242463510 256698684 /nfs/dbraw/zinc/69/86/84/256698684.db2.gz DDJQFAXXZPWWOV-VHSSKADRSA-N 1 0 267.372 3.716 40 0 CHABRO CCC[C@H]([NH2+]Cc1cnc(SC)nc1)c1ccccc1 ZINC000062717242 256722156 /nfs/dbraw/zinc/72/21/56/256722156.db2.gz CWMSLHSKHGNKAM-HNNXBMFYSA-N 1 0 287.432 3.830 40 0 CHABRO CCCCCC[C@@H](C)[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000001731829 169751901 /nfs/dbraw/zinc/75/19/01/169751901.db2.gz VEOSVJOBGXMFHF-IAGOWNOFSA-N 1 0 293.451 3.683 40 0 CHABRO [NH3+]Cc1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000005768154 170138915 /nfs/dbraw/zinc/13/89/15/170138915.db2.gz RHFUHCOVZYLLSX-UHFFFAOYSA-N 1 0 251.251 3.831 40 0 CHABRO Fc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000005996900 170166172 /nfs/dbraw/zinc/16/61/72/170166172.db2.gz DRKLIPOLTNEOHO-UHFFFAOYSA-N 1 0 259.368 3.740 40 0 CHABRO Cc1csc(C)[n+]1-c1ccc2nc(C)sc2c1 ZINC000006072112 170174312 /nfs/dbraw/zinc/17/43/12/170174312.db2.gz JRPBVNJLRDBUQL-UHFFFAOYSA-N 1 0 261.395 3.560 40 0 CHABRO C[NH+](C)CCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000006592101 170217556 /nfs/dbraw/zinc/21/75/56/170217556.db2.gz GPORLFPFUPAQRA-UHFFFAOYSA-N 1 0 259.393 3.869 40 0 CHABRO CC[NH+](CC)CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000006660005 170223042 /nfs/dbraw/zinc/22/30/42/170223042.db2.gz QAUDLDRYBDIOMF-UHFFFAOYSA-N 1 0 294.483 3.822 40 0 CHABRO c1cc2c(s1)[C@H]1CCCC[C@@H]1O[C@@]21C[NH+]2CCC1CC2 ZINC000006668059 170223932 /nfs/dbraw/zinc/22/39/32/170223932.db2.gz YOTNJKHOKZAJDD-JLJPHGGASA-N 1 0 289.444 3.725 40 0 CHABRO CCCCCC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000007261024 170273640 /nfs/dbraw/zinc/27/36/40/170273640.db2.gz CFEAKIWAGVYHIZ-UHFFFAOYSA-N 1 0 265.397 3.764 40 0 CHABRO CCCCCC[NH2+]Cc1cccc(OC)c1OCC ZINC000007261075 170273919 /nfs/dbraw/zinc/27/39/19/170273919.db2.gz NKRRGYNMSUCXLS-UHFFFAOYSA-N 1 0 265.397 3.764 40 0 CHABRO CCCC[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000007261631 170274082 /nfs/dbraw/zinc/27/40/82/170274082.db2.gz RXKKQTDWUVWQLK-UHFFFAOYSA-N 1 0 271.788 3.637 40 0 CHABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C(C)(C)CO)o1 ZINC000007538800 170290380 /nfs/dbraw/zinc/29/03/80/170290380.db2.gz CXGVBSYSOMVKOR-UHFFFAOYSA-N 1 0 293.794 3.769 40 0 CHABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C1CC1 ZINC000008253409 170327240 /nfs/dbraw/zinc/32/72/40/170327240.db2.gz CAEHYBPHGGRABE-UHFFFAOYSA-N 1 0 260.164 3.644 40 0 CHABRO Clc1ccc(C[NH2+]Cc2ccncc2)cc1Cl ZINC000008418055 170335705 /nfs/dbraw/zinc/33/57/05/170335705.db2.gz XUDVOLHLDGBFEQ-UHFFFAOYSA-N 1 0 267.159 3.678 40 0 CHABRO Cc1cc[n+](C)c2ccc(SC(F)(F)F)cc12 ZINC000008782796 170356086 /nfs/dbraw/zinc/35/60/86/170356086.db2.gz FGGBSXZTZMGNRJ-UHFFFAOYSA-N 1 0 258.288 3.585 40 0 CHABRO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000009996356 170393462 /nfs/dbraw/zinc/39/34/62/170393462.db2.gz HLUVGDBTIZIQQH-LLVKDONJSA-N 1 0 268.198 3.681 40 0 CHABRO [NH3+][C@H](c1ccc(Br)cc1)C1CCCC1 ZINC000019485697 170812617 /nfs/dbraw/zinc/81/26/17/170812617.db2.gz YMKBUDRWAUHOKU-LBPRGKRZSA-N 1 0 254.171 3.639 40 0 CHABRO CCCOc1ccc(C[NH2+][C@@H](C)CC)cc1OCC ZINC000020933301 171281166 /nfs/dbraw/zinc/28/11/66/171281166.db2.gz XCGHHZYDHXPUFP-ZDUSSCGKSA-N 1 0 265.397 3.762 40 0 CHABRO CCOc1cc(C[NH2+]C(C)C)ccc1O[C@H](C)CC ZINC000034815847 171869178 /nfs/dbraw/zinc/86/91/78/171869178.db2.gz VQHCHFLEDUTIFL-CYBMUJFWSA-N 1 0 265.397 3.761 40 0 CHABRO [NH3+]Cc1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000045920036 175386471 /nfs/dbraw/zinc/38/64/71/175386471.db2.gz RTHCHPMANMVPKV-UHFFFAOYSA-N 1 0 258.321 3.561 40 0 CHABRO Clc1ccc(Cl)c(COC[C@@H]2CCC[NH2+]C2)c1 ZINC000072203672 176341873 /nfs/dbraw/zinc/34/18/73/176341873.db2.gz KTSWUMBOJPLPPG-SNVBAGLBSA-N 1 0 274.191 3.510 40 0 CHABRO CC1=C[C@@H](C[NH3+])[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 ZINC000072320805 176368623 /nfs/dbraw/zinc/36/86/23/176368623.db2.gz CABHCRDFMNBKDD-JYJNAYRXSA-N 1 0 297.446 3.919 40 0 biogenic,in-vitro CHABRO Cc1cccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072343725 176372212 /nfs/dbraw/zinc/37/22/12/176372212.db2.gz MQTGIXTUENESDK-OAHLLOKOSA-N 1 0 252.361 3.524 40 0 CHABRO COc1ccc(-c2cccc([C@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000072348559 176373452 /nfs/dbraw/zinc/37/34/52/176373452.db2.gz AWEYGYLEOJNSNG-HNNXBMFYSA-N 1 0 282.387 3.566 40 0 CHABRO C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072348576 176373742 /nfs/dbraw/zinc/37/37/42/176373742.db2.gz FYVKJQSHEDNGSG-OAHLLOKOSA-N 1 0 284.378 3.621 40 0 CHABRO Cc1ccc(C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000072414091 176398913 /nfs/dbraw/zinc/39/89/13/176398913.db2.gz CPFGKNKBGHZQGA-UHFFFAOYSA-N 1 0 291.354 3.686 40 0 CHABRO CCSc1ncc(C[NH2+]C(C)(C)CC(C)(C)C)cn1 ZINC000062717313 262299122 /nfs/dbraw/zinc/29/91/22/262299122.db2.gz SSUHMPFDNBCRPQ-UHFFFAOYSA-N 1 0 281.469 3.893 40 0 CHABRO C[NH2+]Cc1cnc(SC2CCCCC2)cc1C ZINC000072223849 567922801 /nfs/dbraw/zinc/92/28/01/567922801.db2.gz IXHUTBACQBTZOO-UHFFFAOYSA-N 1 0 250.411 3.534 40 0 CHABRO CC[C@H](C)Oc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000062731850 566821627 /nfs/dbraw/zinc/82/16/27/566821627.db2.gz QALXGSIJWSKBGF-ZDUSSCGKSA-N 1 0 265.397 3.618 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000057621210 566842303 /nfs/dbraw/zinc/84/23/03/566842303.db2.gz YUEUWBBCKUTPEO-HNNXBMFYSA-N 1 0 263.381 3.641 40 0 CHABRO C[NH+](C)[C@H](CC1CC1)C1(c2ccc(F)cc2)CCC1 ZINC000575410807 566932246 /nfs/dbraw/zinc/93/22/46/566932246.db2.gz JQCWBACQDCWDHQ-MRXNPFEDSA-N 1 0 261.384 3.978 40 0 CHABRO Clc1cc(Br)ccc1[C@@H]1CCC[NH2+]1 ZINC000037366857 566962164 /nfs/dbraw/zinc/96/21/64/566962164.db2.gz YHDGUUIWUXQBQS-JTQLQIEISA-N 1 0 260.562 3.527 40 0 CHABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccc(Cl)cc2Cl)C1 ZINC000242687496 567066844 /nfs/dbraw/zinc/06/68/44/567066844.db2.gz UJGDOGDFIJTPLX-QMTHXVAHSA-N 1 0 287.234 3.725 40 0 CHABRO Cc1cc2c(cc1C)C[NH+](CCc1ccccc1)C2 ZINC000006611620 567076279 /nfs/dbraw/zinc/07/62/79/567076279.db2.gz NEHQDNVXJKNBAH-UHFFFAOYSA-N 1 0 251.373 3.862 40 0 CHABRO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH3+] ZINC000061946919 567085648 /nfs/dbraw/zinc/08/56/48/567085648.db2.gz SXFQJBRXNODJBV-IZGRHMBUSA-N 1 0 289.463 3.637 40 0 CHABRO CCOC(=O)[C@@H](C[NH2+]Cc1ccccc1)C1CCCCC1 ZINC000001593555 567839018 /nfs/dbraw/zinc/83/90/18/567839018.db2.gz AJDXXPIOSIREGY-KRWDZBQOSA-N 1 0 289.419 3.536 40 0 CHABRO O=C1[C@@H](C[NH+]2CCCCC2)CCC[C@@H]1c1ccccc1 ZINC000001637851 567839933 /nfs/dbraw/zinc/83/99/33/567839933.db2.gz YZZLWLVHJAYMRB-IAGOWNOFSA-N 1 0 271.404 3.625 40 0 CHABRO CCCCCC[NH2+]CC(C)(C)OC(=O)c1ccccc1 ZINC000001669895 567840576 /nfs/dbraw/zinc/84/05/76/567840576.db2.gz OONQFQGZIBERKH-UHFFFAOYSA-N 1 0 277.408 3.792 40 0 CHABRO Cc1cc(C)c(C(=O)CCC[n+]2ccccc2)c(C)c1 ZINC000001666382 567840615 /nfs/dbraw/zinc/84/06/15/567840615.db2.gz RNVUHCACRNJCCW-UHFFFAOYSA-N 1 0 268.380 3.562 40 0 CHABRO CC(C)C(=O)OC1(C[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC000001666112 567840642 /nfs/dbraw/zinc/84/06/42/567840642.db2.gz CKEBQOGILHINAE-OAHLLOKOSA-N 1 0 281.440 3.763 40 0 CHABRO Cc1ccc([C@H](C[NH+](C)C)C(=O)c2ccccc2)cc1C ZINC000001669466 567840736 /nfs/dbraw/zinc/84/07/36/567840736.db2.gz WCLJTAOTFJCZJL-SFHVURJKSA-N 1 0 281.399 3.832 40 0 CHABRO O[C@H](c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001668858 567840770 /nfs/dbraw/zinc/84/07/70/567840770.db2.gz ZJQDTSJAQWHKJT-WOJBJXKFSA-N 1 0 295.426 3.990 40 0 CHABRO C[C@@H](C[NH2+]C1CCCCC1)OC(=O)Nc1ccccc1 ZINC000001710476 567842030 /nfs/dbraw/zinc/84/20/30/567842030.db2.gz LQMYFVIMZYVTHD-ZDUSSCGKSA-N 1 0 276.380 3.546 40 0 CHABRO O[C@H](c1cc2c(c3ccccc31)CCCC2)[C@H]1CCCC[NH2+]1 ZINC000001706371 567842133 /nfs/dbraw/zinc/84/21/33/567842133.db2.gz OBRVSZOCVKHAJH-WOJBJXKFSA-N 1 0 295.426 3.894 40 0 CHABRO O[C@](C[C@H]1CCCC[NH2+]1)(c1ccccc1)C1CCCCC1 ZINC000001843163 567843392 /nfs/dbraw/zinc/84/33/92/567843392.db2.gz QUAWNUHPVGFJPP-RTBURBONSA-N 1 0 287.447 3.987 40 0 CHABRO C[C@H]1C(O)[C@@H](C)[C@@H](c2cccs2)[NH2+][C@@H]1c1cccs1 ZINC000004099760 567855002 /nfs/dbraw/zinc/85/50/02/567855002.db2.gz CPNYMZKNSCYTRC-AMQKRFAPSA-N 1 0 293.457 3.828 40 0 CHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc2c1 ZINC000004130494 567855256 /nfs/dbraw/zinc/85/52/56/567855256.db2.gz OKVVPWYKCFFTMG-UHFFFAOYSA-N 1 0 284.403 3.567 40 0 CHABRO Cc1ccc2cc(C[NH2+][C@H]3CCCC[C@H]3C)c(=O)[nH]c2c1 ZINC000004130450 567855437 /nfs/dbraw/zinc/85/54/37/567855437.db2.gz FRGXALQPKZYEGR-CJNGLKHVSA-N 1 0 284.403 3.505 40 0 CHABRO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2Cc1ccoc1 ZINC000005492541 567859536 /nfs/dbraw/zinc/85/95/36/567859536.db2.gz MSBGXQSDBDHIGV-MJXNMMHHSA-N 1 0 297.398 3.710 40 0 CHABRO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(O)cc2)on1 ZINC000019120270 567877453 /nfs/dbraw/zinc/87/74/53/567877453.db2.gz VHROQJNJJAILJG-MRXNPFEDSA-N 1 0 286.375 3.806 40 0 CHABRO C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC[NH2+]2 ZINC000033702325 567887131 /nfs/dbraw/zinc/88/71/31/567887131.db2.gz GWLZIXUQGCRFNW-UDFCFZJOSA-N 1 0 289.463 3.652 40 0 CHABRO COc1cccc(C(=O)[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000077028761 567890543 /nfs/dbraw/zinc/89/05/43/567890543.db2.gz LPCUZXHCGXGQPJ-HNNXBMFYSA-N 1 0 297.398 3.646 40 0 CHABRO Clc1cc([C@@H]2CCC[NH2+]2)ccc1Br ZINC000084199318 567906128 /nfs/dbraw/zinc/90/61/28/567906128.db2.gz AUCPUFDMCZEBQK-JTQLQIEISA-N 1 0 260.562 3.527 40 0 CHABRO Clc1ccc(Br)c([C@@H]2CCC[NH2+]2)c1 ZINC000084623595 567906131 /nfs/dbraw/zinc/90/61/31/567906131.db2.gz MDNASMVGOMKAHN-JTQLQIEISA-N 1 0 260.562 3.527 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(OCC)nc1 ZINC000072211804 567917413 /nfs/dbraw/zinc/91/74/13/567917413.db2.gz YDCHWPGNUJLEBB-HNNXBMFYSA-N 1 0 262.397 3.807 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1OCC ZINC000072211864 567917737 /nfs/dbraw/zinc/91/77/37/567917737.db2.gz JIZSCYOCYBZTCG-HNNXBMFYSA-N 1 0 262.397 3.807 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)CC)nc1 ZINC000072212741 567918447 /nfs/dbraw/zinc/91/84/47/567918447.db2.gz LAYBPLYXAQKWOF-INIZCTEOSA-N 1 0 275.440 3.865 40 0 CHABRO CC(C)N(c1ccc([C@@H]2CCCC[N@@H+]2C)cn1)C(C)C ZINC000072212970 567918602 /nfs/dbraw/zinc/91/86/02/567918602.db2.gz NSIKWAUSYNIPQK-INIZCTEOSA-N 1 0 275.440 3.862 40 0 CHABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213838 567918809 /nfs/dbraw/zinc/91/88/09/567918809.db2.gz DJGPUCFARRPBDB-HNNXBMFYSA-N 1 0 259.397 3.591 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1NCC(C)C ZINC000072213271 567918820 /nfs/dbraw/zinc/91/88/20/567918820.db2.gz BVJKSJNEVTYBPE-HNNXBMFYSA-N 1 0 261.413 3.696 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213843 567918834 /nfs/dbraw/zinc/91/88/34/567918834.db2.gz DVKVXMFBYQGCNK-MRXNPFEDSA-N 1 0 273.424 3.983 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213915 567919052 /nfs/dbraw/zinc/91/90/52/567919052.db2.gz QIQPXMKILYEWBF-HNNXBMFYSA-N 1 0 259.397 3.593 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217472 567919441 /nfs/dbraw/zinc/91/94/41/567919441.db2.gz XRFJEEBWVLLLOV-CYBMUJFWSA-N 1 0 250.411 3.739 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217918 567920338 /nfs/dbraw/zinc/92/03/38/567920338.db2.gz LHNPETNSBCQQIC-CYBMUJFWSA-N 1 0 252.789 3.980 40 0 CHABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)C ZINC000072217532 567920528 /nfs/dbraw/zinc/92/05/28/567920528.db2.gz KUJSNLZMMNYOPE-CYBMUJFWSA-N 1 0 250.411 3.739 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217858 567920778 /nfs/dbraw/zinc/92/07/78/567920778.db2.gz LKYVPOPVNWGHPE-CYBMUJFWSA-N 1 0 252.789 3.980 40 0 CHABRO CSc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072216961 567921158 /nfs/dbraw/zinc/92/11/58/567921158.db2.gz ZSXAXJUGCFLXHX-CYBMUJFWSA-N 1 0 250.411 3.739 40 0 CHABRO CCSc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072217120 567921168 /nfs/dbraw/zinc/92/11/68/567921168.db2.gz RGVJOHMSTSIWDR-ZDUSSCGKSA-N 1 0 250.411 3.739 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc[nH]c1=S ZINC000072217085 567921389 /nfs/dbraw/zinc/92/13/89/567921389.db2.gz KHYHNSPPXWBHPO-CYBMUJFWSA-N 1 0 250.411 3.697 40 0 CHABRO Cc1cc(N2CCCC2)ncc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072218880 567921670 /nfs/dbraw/zinc/92/16/70/567921670.db2.gz ZOEBPJDOMHNBPW-KRWDZBQOSA-N 1 0 287.451 3.926 40 0 CHABRO CC[C@H]([NH3+])c1ccc(N2CCCc3ccccc32)nc1C ZINC000072224966 567922519 /nfs/dbraw/zinc/92/25/19/567922519.db2.gz SKCCKXCBBRMITE-INIZCTEOSA-N 1 0 281.403 3.884 40 0 CHABRO Cc1nc(NC(C)(C)C)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072225022 567922653 /nfs/dbraw/zinc/92/26/53/567922653.db2.gz ZSYPNXJCFCAXMO-MRXNPFEDSA-N 1 0 269.392 3.649 40 0 CHABRO CCC[n+]1cccc(-c2nc3ccc(C)cc3s2)c1 ZINC000226773314 567929227 /nfs/dbraw/zinc/92/92/27/567929227.db2.gz DKAGRHLTUSDZFT-UHFFFAOYSA-N 1 0 269.393 3.969 40 0 CHABRO O[C@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001665776 567937407 /nfs/dbraw/zinc/93/74/07/567937407.db2.gz ZGYPFPPCAPRYKE-RBUKOAKNSA-N 1 0 281.399 3.947 40 0 CHABRO CCC[NH2+]Cc1cc(C)n(Cc2cccc(C)c2)c1C ZINC000223662778 567950320 /nfs/dbraw/zinc/95/03/20/567950320.db2.gz LCYDBWXANPVRCG-UHFFFAOYSA-N 1 0 270.420 3.961 40 0 CHABRO CCCOc1ccc2c(c1)c(C[NH3+])c(C)n2CCC ZINC000223756777 567950777 /nfs/dbraw/zinc/95/07/77/567950777.db2.gz NTKNIIWIDFQLKZ-UHFFFAOYSA-N 1 0 260.381 3.607 40 0 CHABRO CCCn1c(C)c(C[NH3+])c2cc(O[C@H](C)CC)ccc21 ZINC000223757514 567950788 /nfs/dbraw/zinc/95/07/88/567950788.db2.gz ODPGUZKXRFEEOZ-GFCCVEGCSA-N 1 0 274.408 3.996 40 0 CHABRO C[C@H]1CCC[C@@H]([NH+]2CCN(C[C@@H]3CC=CCC3)CC2)C1 ZINC000224087134 567951385 /nfs/dbraw/zinc/95/13/85/567951385.db2.gz PRIBEPJSCZVEBS-RCCFBDPRSA-N 1 0 276.468 3.539 40 0 CHABRO CC(C)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000225162489 567952366 /nfs/dbraw/zinc/95/23/66/567952366.db2.gz OKLWYSRAVNDOPU-LSDHHAIUSA-N 1 0 277.408 3.551 40 0 CHABRO CC[C@@H](C)Oc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167874 567952591 /nfs/dbraw/zinc/95/25/91/567952591.db2.gz JLUASHWRFHLWRX-KEYYUXOJSA-N 1 0 277.408 3.694 40 0 CHABRO CCn1c(C[NH2+]Cc2ccccc2)ccc1CC(C)C ZINC000226020434 567955564 /nfs/dbraw/zinc/95/55/64/567955564.db2.gz TXKVBTPBHQUZHJ-UHFFFAOYSA-N 1 0 270.420 3.996 40 0 CHABRO Cc1cc(N)c(NC(=O)C(C)C)cc1N1CCCC[C@H]1C ZINC000216864631 570346888 /nfs/dbraw/zinc/34/68/88/570346888.db2.gz HEWDHURRZMPFJD-CYBMUJFWSA-N 1 0 289.423 3.551 40 0 CHABRO CCC[N@H+](CC)[C@H](CC)C(=O)Nc1c(C)cccc1C ZINC000000896998 1129778023 /nfs/dbraw/zinc/77/80/23/1129778023.db2.gz VTUSIVBDOCDNHS-OAHLLOKOSA-N 1 0 276.424 3.752 40 0 world CHABRO Cc1ncc(CCCC[NH+](C)C)c2c3ccccc3[nH]c21 ZINC000096448080 230375278 /nfs/dbraw/zinc/37/52/78/230375278.db2.gz JOALZRPQOJNAJB-UHFFFAOYSA-N 1 0 281.403 3.909 40 0 CHABRO Cc1cc(NCCC[NH3+])c2cc(Cl)cc(Cl)c2n1 ZINC000222689325 230398215 /nfs/dbraw/zinc/39/82/15/230398215.db2.gz AEPNWYRKFWFLIO-UHFFFAOYSA-N 1 0 284.190 3.611 40 0 CHABRO [NH3+][C@@H]1CC2(CCC2)Sc2ccc(Br)cc21 ZINC000238678288 189901031 /nfs/dbraw/zinc/90/10/31/189901031.db2.gz CXLCGKFFFCRONQ-SNVBAGLBSA-N 1 0 284.222 3.867 40 0 CHABRO CSc1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072216945 256710660 /nfs/dbraw/zinc/71/06/60/256710660.db2.gz OFXOYTSIHFBOAY-ZDUSSCGKSA-N 1 0 250.411 3.596 40 0 CHABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2NC2CC2)cc1 ZINC000072213708 256712516 /nfs/dbraw/zinc/71/25/16/256712516.db2.gz FWJCJBGEVSBMHG-SFHVURJKSA-N 1 0 293.414 3.993 40 0 CHABRO c1c2ccccc2n(CC2CC2)c1[C@@H]1CCCC[NH2+]1 ZINC000095098034 184944100 /nfs/dbraw/zinc/94/41/00/184944100.db2.gz VLSQNHQZSUHOKK-HNNXBMFYSA-N 1 0 254.377 3.866 40 0 CHABRO NC(=[NH2+])c1ccc(-c2ccc(-c3ccccc3)o2)cc1 ZINC000001758871 169755514 /nfs/dbraw/zinc/75/55/14/169755514.db2.gz ZKRYORDLSYCKBS-UHFFFAOYSA-N 1 0 262.312 3.898 40 0 CHABRO Cc1ccc2cc(C[NH2+]C3CCCCC3)c(=O)[nH]c2c1C ZINC000004130488 169936360 /nfs/dbraw/zinc/93/63/60/169936360.db2.gz YWKKNGZQULGQMX-UHFFFAOYSA-N 1 0 284.403 3.567 40 0 CHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+][C@@H]3CCCC[C@@H]3C)cc2c1 ZINC000004130495 169936706 /nfs/dbraw/zinc/93/67/06/169936706.db2.gz MOVBEKVSGZJPOK-SUMWQHHRSA-N 1 0 298.430 3.813 40 0 CHABRO C[NH+](C)CCCC(=O)N(c1ccccc1)c1ccccc1 ZINC000005535340 170110052 /nfs/dbraw/zinc/11/00/52/170110052.db2.gz LZAILUDAWUBJON-UHFFFAOYSA-N 1 0 282.387 3.693 40 0 CHABRO COc1ccc(C[C@H]2C3=C(CCCC3)CC[N@H+]2C)cc1 ZINC000005766173 170138590 /nfs/dbraw/zinc/13/85/90/170138590.db2.gz CRXXSGLBECOUQH-SFHVURJKSA-N 1 0 271.404 3.812 40 0 CHABRO CC(C)[C@@H](C(=O)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000005963258 170163664 /nfs/dbraw/zinc/16/36/64/170163664.db2.gz NTFQBQOOTJCIEC-OAHLLOKOSA-N 1 0 267.800 3.600 40 0 CHABRO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@@H]3CC=CC[C@@H]3[C@@H]12 ZINC000006000107 170166333 /nfs/dbraw/zinc/16/63/33/170166333.db2.gz OUQFYCOJMMHQMV-LXIYXOSZSA-N 1 0 264.372 3.663 40 0 CHABRO CC[N@H+](Cc1ccncc1)Cc1ccc(SC)cc1 ZINC000006026433 170169907 /nfs/dbraw/zinc/16/99/07/170169907.db2.gz AFACLIYIKSHPAI-UHFFFAOYSA-N 1 0 272.417 3.826 40 0 CHABRO COc1ccc([C@H](C)C[NH2+]Cc2ccccc2)cc1 ZINC000006491837 170205973 /nfs/dbraw/zinc/20/59/73/170205973.db2.gz JUMSAJVIOJPECG-CQSZACIVSA-N 1 0 255.361 3.589 40 0 CHABRO C[C@H](C[NH2+]C1CCCCC1)OC(=O)Nc1ccccc1 ZINC000006491823 170206179 /nfs/dbraw/zinc/20/61/79/170206179.db2.gz LQMYFVIMZYVTHD-CYBMUJFWSA-N 1 0 276.380 3.546 40 0 CHABRO Cc1cccc(-c2nc(C)cc(NCCCCCC[NH3+])n2)c1 ZINC000008731088 170351270 /nfs/dbraw/zinc/35/12/70/170351270.db2.gz NEZNNACXCIDTFS-UHFFFAOYSA-N 1 0 298.434 3.691 40 0 CHABRO C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020158521 171040178 /nfs/dbraw/zinc/04/01/78/171040178.db2.gz VNRZMBUVBJECRP-UHFFFAOYSA-N 1 0 256.132 3.973 40 0 CHABRO CC(C)(C)OC(=O)Nc1ccccc1C1CC[NH2+]CC1 ZINC000022015230 171349796 /nfs/dbraw/zinc/34/97/96/171349796.db2.gz NUUKIJUPCYBCIZ-UHFFFAOYSA-N 1 0 276.380 3.501 40 0 CHABRO Clc1cccc(Cl)c1COCC1CC[NH2+]CC1 ZINC000028522022 171561353 /nfs/dbraw/zinc/56/13/53/171561353.db2.gz DSLUXTRIXBSXJH-UHFFFAOYSA-N 1 0 274.191 3.510 40 0 CHABRO c1csc(C[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000035446654 172202830 /nfs/dbraw/zinc/20/28/30/172202830.db2.gz XSZKDPJCSLEGDE-LBPRGKRZSA-N 1 0 283.400 3.614 40 0 biogenic,in-vitro CHABRO Brc1ccc2c(c1)CCC([NH+]1CCCC1)=C2 ZINC000045328520 175359774 /nfs/dbraw/zinc/35/97/74/175359774.db2.gz OHXASHBAWOZUNU-UHFFFAOYSA-N 1 0 278.193 3.832 40 0 CHABRO C[NH+]1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072348574 176373816 /nfs/dbraw/zinc/37/38/16/176373816.db2.gz ZMQFGOAVPKGOHB-UHFFFAOYSA-N 1 0 284.378 3.621 40 0 CHABRO C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357514 176376065 /nfs/dbraw/zinc/37/60/65/176376065.db2.gz YTACZXAEFUUTDZ-KRWDZBQOSA-N 1 0 270.351 3.578 40 0 CHABRO C[N@H+](Cc1cc(Br)ccc1N)C1CCCCC1 ZINC000077270997 177247520 /nfs/dbraw/zinc/24/75/20/177247520.db2.gz ZYLPFXIGTPKCAO-UHFFFAOYSA-N 1 0 297.240 3.796 40 0 in-vitro CHABRO CC[N@@H+]1CCCC[C@H]1c1ccc(NCC(C)C)nc1 ZINC000072213331 567919227 /nfs/dbraw/zinc/91/92/27/567919227.db2.gz VSZXZKKBEVPYOD-HNNXBMFYSA-N 1 0 261.413 3.696 40 0 CHABRO CC1=C[C@@H](C)[C@H](C[N@H+]2CCO[C@@H]2C(C)C)[C@@H](C)C1 ZINC000061854987 566821653 /nfs/dbraw/zinc/82/16/53/566821653.db2.gz ZINAYKAEPVIUEM-FXUDXRNXSA-N 1 0 251.414 3.539 40 0 CHABRO c1c2ccccc2n(CC2CC2)c1[C@H]1CCCC[NH2+]1 ZINC000095098035 567129067 /nfs/dbraw/zinc/12/90/67/567129067.db2.gz VLSQNHQZSUHOKK-OAHLLOKOSA-N 1 0 254.377 3.866 40 0 CHABRO COc1cccc2c(CC[NH+](C(C)C)C(C)C)c[nH]c21 ZINC000299817109 567148344 /nfs/dbraw/zinc/14/83/44/567148344.db2.gz CYDOUMFFIKOFBJ-UHFFFAOYSA-N 1 0 274.408 3.838 40 0 in-vitro CHABRO CC[C@@H](C)[C@@H](C(=O)OCC[NH+](CC)CC)c1ccccc1 ZINC000001649107 567840129 /nfs/dbraw/zinc/84/01/29/567840129.db2.gz LKQUJKDIEHGPLY-NVXWUHKLSA-N 1 0 291.435 3.701 40 0 CHABRO O[C@@H](c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001668860 567840653 /nfs/dbraw/zinc/84/06/53/567840653.db2.gz ZJQDTSJAQWHKJT-UXHICEINSA-N 1 0 295.426 3.990 40 0 CHABRO CC[NH+](CC)CC[C@H](C)[C@@H](Cc1cccs1)OC(C)=O ZINC000001671238 567841187 /nfs/dbraw/zinc/84/11/87/567841187.db2.gz YBCGCYGNOGTANZ-XJKSGUPXSA-N 1 0 297.464 3.590 40 0 CHABRO Cc1ccc(Oc2cccc3c[n+](C)ccc32)cc1 ZINC000001716204 567842441 /nfs/dbraw/zinc/84/24/41/567842441.db2.gz CXCPKTIWLQPQDB-UHFFFAOYSA-N 1 0 250.321 3.765 40 0 CHABRO O[C@@H](c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000001843091 567843397 /nfs/dbraw/zinc/84/33/97/567843397.db2.gz AXNGJCOYCMDPQG-FQEVSTJZSA-N 1 0 295.426 3.675 40 0 in-man CHABRO O[C@](CC[NH+]1CCCCC1)(c1ccccc1)C1CCCC1 ZINC000002041282 567844511 /nfs/dbraw/zinc/84/45/11/567844511.db2.gz SWRUZBWLEWHWRI-LJQANCHMSA-N 1 0 287.447 3.940 40 0 world CHABRO COc1cccc2[nH]cc(CC[NH+](C(C)C)C(C)C)c21 ZINC000002539055 567847698 /nfs/dbraw/zinc/84/76/98/567847698.db2.gz WIVWUNUDMXNQJD-UHFFFAOYSA-N 1 0 274.408 3.838 40 0 in-vitro CHABRO CC(C)[NH+]1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1 ZINC000079030408 567861353 /nfs/dbraw/zinc/86/13/53/567861353.db2.gz AEMKHASABZGBQV-UHFFFAOYSA-N 1 0 288.218 3.685 40 0 CHABRO c1csc(-c2[nH]c3ncccc3c2C[NH+]2CCCC2)c1 ZINC000012337229 567862704 /nfs/dbraw/zinc/86/27/04/567862704.db2.gz NZVDITOCDMUTLG-UHFFFAOYSA-N 1 0 283.400 3.887 40 0 CHABRO Nc1ccc2[nH]c(CCc3ccc(Cl)cc3)[nH+]c2c1 ZINC000013233738 567865731 /nfs/dbraw/zinc/86/57/31/567865731.db2.gz XYPQTPXDSBANBQ-UHFFFAOYSA-N 1 0 271.751 3.584 40 0 CHABRO CCOc1cc(Cl)c(C[NH2+]C(C)(C)C)cc1OC ZINC000036612613 567870447 /nfs/dbraw/zinc/87/04/47/567870447.db2.gz NGWFSQHOIIZYDB-UHFFFAOYSA-N 1 0 271.788 3.635 40 0 CHABRO Cc1ccsc1C[N@H+]1CCCCC[C@@H]1c1ccn(C)n1 ZINC000019238643 567877294 /nfs/dbraw/zinc/87/72/94/567877294.db2.gz QRVHYVNIZUYJHE-OAHLLOKOSA-N 1 0 289.448 3.907 40 0 CHABRO C[C@@H](NCC[NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000019366298 567877476 /nfs/dbraw/zinc/87/74/76/567877476.db2.gz LVJYSFUNASCGCN-HZPDHXFCSA-N 1 0 268.404 3.688 40 0 CHABRO C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1 ZINC000019496567 567877852 /nfs/dbraw/zinc/87/78/52/567877852.db2.gz VDPLXOGYOJQZNK-BBRMVZONSA-N 1 0 299.418 3.646 40 0 CHABRO [NH3+][C@@H](c1cccs1)c1ccccc1Br ZINC000019841940 567879322 /nfs/dbraw/zinc/87/93/22/567879322.db2.gz PFZWSTXOJJELPA-LLVKDONJSA-N 1 0 268.179 3.559 40 0 CHABRO Brc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000019919717 567880269 /nfs/dbraw/zinc/88/02/69/567880269.db2.gz GVTVQPTXNOXUCH-UHFFFAOYSA-N 1 0 290.204 3.781 40 0 CHABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000031912050 567885380 /nfs/dbraw/zinc/88/53/80/567885380.db2.gz GPPOVAQIFWICMY-MRXNPFEDSA-N 1 0 275.779 3.505 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1SC ZINC000072216946 567890948 /nfs/dbraw/zinc/89/09/48/567890948.db2.gz YQWDNOXRJQFJGA-CYBMUJFWSA-N 1 0 250.411 3.741 40 0 CHABRO C[N@H+]1CC=C(c2nc3ccc(Cl)cc3s2)CC1 ZINC000073638873 567893627 /nfs/dbraw/zinc/89/36/27/567893627.db2.gz WUXSDSXVOMZXLV-UHFFFAOYSA-N 1 0 264.781 3.669 40 0 CHABRO CCc1ccc2nc(-c3ccc(C[NH3+])cc3)sc2c1 ZINC000062720019 567897750 /nfs/dbraw/zinc/89/77/50/567897750.db2.gz NOLARYXXXCYVJW-UHFFFAOYSA-N 1 0 268.385 3.984 40 0 CHABRO Cc1[nH+]c(-c2ccc(Br)cc2)c(N)n1C1CC1 ZINC000100761354 567913823 /nfs/dbraw/zinc/91/38/23/567913823.db2.gz PYBIAVAZFOKELY-UHFFFAOYSA-N 1 0 292.180 3.538 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211902 567917806 /nfs/dbraw/zinc/91/78/06/567917806.db2.gz POQNGYIIPFTQAI-OAHLLOKOSA-N 1 0 262.397 3.662 40 0 CHABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1NCC(C)C ZINC000072213256 567918104 /nfs/dbraw/zinc/91/81/04/567918104.db2.gz RQCYYUSWBMBGSB-HNNXBMFYSA-N 1 0 261.413 3.696 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(CC)CC ZINC000072212914 567918110 /nfs/dbraw/zinc/91/81/10/567918110.db2.gz SXSUIIVLJSQHCG-MRXNPFEDSA-N 1 0 275.440 3.865 40 0 CHABRO CC(C)N(c1ncccc1C1=[NH+]CCCC1)C(C)C ZINC000072213027 567918426 /nfs/dbraw/zinc/91/84/26/567918426.db2.gz NPYFNQXFCWDTDG-UHFFFAOYSA-N 1 0 259.397 3.678 40 0 CHABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213897 567918885 /nfs/dbraw/zinc/91/88/85/567918885.db2.gz OVOWSUNNUJYNQK-OAHLLOKOSA-N 1 0 259.397 3.591 40 0 CHABRO CCCCNc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213658 567919006 /nfs/dbraw/zinc/91/90/06/567919006.db2.gz VWWTUUMLHAYQKR-OAHLLOKOSA-N 1 0 261.413 3.839 40 0 CHABRO c1ccc(Nc2ccc([C@@H]3CCCC[NH2+]3)cn2)cc1 ZINC000072214090 567919789 /nfs/dbraw/zinc/91/97/89/567919789.db2.gz POWJUMXTTWSKDU-HNNXBMFYSA-N 1 0 253.349 3.640 40 0 CHABRO CN(c1ccccc1)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072214270 567920053 /nfs/dbraw/zinc/92/00/53/567920053.db2.gz BZIADAHDUSVRHP-INIZCTEOSA-N 1 0 267.376 3.664 40 0 CHABRO COc1ncc([C@H]2CCCC[N@@H+]2CC(C)C)cc1C ZINC000072217744 567920468 /nfs/dbraw/zinc/92/04/68/567920468.db2.gz RJJOSEROBQVSAB-OAHLLOKOSA-N 1 0 262.397 3.582 40 0 CHABRO Cc1cc(=S)[nH]cc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218343 567920951 /nfs/dbraw/zinc/92/09/51/567920951.db2.gz QOXLYJZNVFTJGE-CQSZACIVSA-N 1 0 264.438 3.862 40 0 CHABRO CNc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000072219090 567921485 /nfs/dbraw/zinc/92/14/85/567921485.db2.gz BFVRLGVVVMKXLJ-QGZVFWFLSA-N 1 0 281.403 3.769 40 0 CHABRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000072219448 567921512 /nfs/dbraw/zinc/92/15/12/567921512.db2.gz XLRWYEXAQQCLGG-QGZVFWFLSA-N 1 0 252.361 3.727 40 0 CHABRO CNc1ncc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1C ZINC000072218969 567921538 /nfs/dbraw/zinc/92/15/38/567921538.db2.gz WDQOWOMHHOMROT-KRWDZBQOSA-N 1 0 281.403 3.769 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218801 567921596 /nfs/dbraw/zinc/92/15/96/567921596.db2.gz MZCXUCMLZYRULS-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N(C)C ZINC000072218609 567921732 /nfs/dbraw/zinc/92/17/32/567921732.db2.gz PNMZGNULPKHLST-SFHVURJKSA-N 1 0 295.430 3.793 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219236 567921808 /nfs/dbraw/zinc/92/18/08/567921808.db2.gz PVIZCTHGELKOQT-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO Cc1cc([C@H]2CCC[N@H+]2C(C)C)cnc1N1CCCC1 ZINC000072218800 567921885 /nfs/dbraw/zinc/92/18/85/567921885.db2.gz ZXJPFXXINSJVBZ-MRXNPFEDSA-N 1 0 273.424 3.536 40 0 CHABRO Cc1cc(N(C)C)ncc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218702 567921929 /nfs/dbraw/zinc/92/19/29/567921929.db2.gz DUNXLKNOYOBJTA-INIZCTEOSA-N 1 0 275.440 3.639 40 0 CHABRO CC[C@H]([NH3+])c1cnc(N2CCCc3ccccc32)c(C)c1 ZINC000072222880 567922314 /nfs/dbraw/zinc/92/23/14/567922314.db2.gz SEPNNMCUHQNCPH-INIZCTEOSA-N 1 0 281.403 3.884 40 0 CHABRO C[NH2+]Cc1ccc(SC2CCCCC2)nc1C ZINC000072224891 567922729 /nfs/dbraw/zinc/92/27/29/567922729.db2.gz ISHMPXYPSRCYGW-UHFFFAOYSA-N 1 0 250.411 3.534 40 0 CHABRO CC[C@@H]([NH3+])c1ccc(N2CCCc3ccccc32)nc1C ZINC000072224967 567922774 /nfs/dbraw/zinc/92/27/74/567922774.db2.gz SKCCKXCBBRMITE-MRXNPFEDSA-N 1 0 281.403 3.884 40 0 CHABRO [NH3+][C@H]1CC2(CCC2)Sc2cc(Br)ccc21 ZINC000238676044 567928733 /nfs/dbraw/zinc/92/87/33/567928733.db2.gz IEODLMYQSBMIML-JTQLQIEISA-N 1 0 284.222 3.867 40 0 CHABRO CCCC[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000222637730 567949113 /nfs/dbraw/zinc/94/91/13/567949113.db2.gz ZQFRGOZRANTIOF-CYBMUJFWSA-N 1 0 251.370 3.545 40 0 CHABRO CCCn1c(C)c(C[NH2+]CC)c2cc(OCC)ccc21 ZINC000223762452 567950730 /nfs/dbraw/zinc/95/07/30/567950730.db2.gz STWGQGFPUVWIBQ-UHFFFAOYSA-N 1 0 274.408 3.868 40 0 CHABRO CCCCn1c(C)c(C[NH3+])c2cc(OCCC)ccc21 ZINC000223756894 567950829 /nfs/dbraw/zinc/95/08/29/567950829.db2.gz CAKLXQQZQOCQCV-UHFFFAOYSA-N 1 0 274.408 3.997 40 0 CHABRO CC[C@@H](C)Oc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225162627 567952209 /nfs/dbraw/zinc/95/22/09/567952209.db2.gz AEGZFYICSOOIQG-ILXRZTDVSA-N 1 0 277.408 3.694 40 0 CHABRO CC[C@H](C)Oc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167843 567952769 /nfs/dbraw/zinc/95/27/69/567952769.db2.gz JLUASHWRFHLWRX-VBQJREDUSA-N 1 0 277.408 3.694 40 0 CHABRO CC[C@H](C)Oc1ccc([C@@H](C)[NH2+]CCCOC)cc1 ZINC000225170070 567952777 /nfs/dbraw/zinc/95/27/77/567952777.db2.gz WOOPXKSILOWVOP-UONOGXRCSA-N 1 0 265.397 3.551 40 0 CHABRO COc1ccc(C[NH2+]Cc2ccc(CC(C)C)[nH]2)cc1 ZINC000226020011 567955531 /nfs/dbraw/zinc/95/55/31/567955531.db2.gz QZRUVGQMZAGLAF-UHFFFAOYSA-N 1 0 272.392 3.512 40 0 CHABRO C[NH+](C)Cc1ccccc1COC(=O)/C=C\c1ccccc1 ZINC000017004235 570226357 /nfs/dbraw/zinc/22/63/57/570226357.db2.gz ORXYOWNKJSEEPD-SEYXRHQNSA-N 1 0 295.382 3.505 40 0 CHABRO [NH3+]CCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000044397683 570328162 /nfs/dbraw/zinc/32/81/62/570328162.db2.gz RNLLUIPKUFIOFT-UHFFFAOYSA-N 1 0 256.132 3.755 40 0 CHABRO C[NH+](C)CCCOc1ccc2c(Cl)csc2c1 ZINC000228933849 570372926 /nfs/dbraw/zinc/37/29/26/570372926.db2.gz QMYDIZFTWUBOQG-UHFFFAOYSA-N 1 0 269.797 3.885 40 0 CHABRO Fc1c2cc(C[NH+]3CCCC3)oc2c(F)c(F)c1F ZINC000000165368 1118011638 /nfs/dbraw/zinc/01/16/38/1118011638.db2.gz HJRLAELAZMXILR-UHFFFAOYSA-N 1 0 273.229 3.585 40 0 CHABRO Clc1ccccc1C[n+]1ccc2sccc2c1 ZINC000039248203 1118036025 /nfs/dbraw/zinc/03/60/25/1118036025.db2.gz OQXLLGWEACZMFD-UHFFFAOYSA-N 1 0 260.769 3.891 40 0 in-vitro CHABRO CC(C)(C)c1ccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)cc1 ZINC000225714444 1128919671 /nfs/dbraw/zinc/91/96/71/1128919671.db2.gz FAEJKDIDUFPESY-IRXDYDNUSA-N 1 0 272.436 3.705 40 0 CHABRO COc1ccc2c(CC[NH+](C(C)C)C(C)C)c[nH]c2c1 ZINC000034778447 1121942482 /nfs/dbraw/zinc/94/24/82/1121942482.db2.gz VVHSFCPALYIWMT-UHFFFAOYSA-N 1 0 274.408 3.838 40 0 in-vitro CHABRO [NH3+]CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000089065010 179696391 /nfs/dbraw/zinc/69/63/91/179696391.db2.gz KGXOHTRDLONUQE-UHFFFAOYSA-N 1 0 271.204 3.616 40 0 CHABRO CC(C)C[C@H]1[NH2+]CCC[C@H]1Nc1cccc(Cl)c1 ZINC000257267602 190022789 /nfs/dbraw/zinc/02/27/89/190022789.db2.gz MIAJZXXBBJGHHC-HUUCEWRRSA-N 1 0 266.816 3.919 40 0 CHABRO Cc1nc([C@@]2(C)CCC[N@@H+](CC(C)C)C2)c2sccn12 ZINC000257301431 190030425 /nfs/dbraw/zinc/03/04/25/190030425.db2.gz RYKNEYGQKJDPMA-INIZCTEOSA-N 1 0 291.464 3.714 40 0 CHABRO c1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019373731 184534331 /nfs/dbraw/zinc/53/43/31/184534331.db2.gz GWXPQEXEPYMTMU-NCXUSEDFSA-N 1 0 278.399 3.754 40 0 CHABRO Cc1nc(SCc2ccccc2)ccc1[C@@H](C)[NH3+] ZINC000072224496 256704098 /nfs/dbraw/zinc/70/40/98/256704098.db2.gz GGUYIDGTXBTILQ-LLVKDONJSA-N 1 0 258.390 3.702 40 0 CHABRO COc1cc2ccccc2[n+](C)c1-c1ccccc1Cl ZINC000001724668 169750895 /nfs/dbraw/zinc/75/08/95/169750895.db2.gz POYUHYPZSJHSIG-UHFFFAOYSA-N 1 0 284.766 3.993 40 0 CHABRO C[C@@H]1CC(c2ccccc2)(c2ccccc2)C[N@@H+]1C ZINC000002043893 169771646 /nfs/dbraw/zinc/77/16/46/169771646.db2.gz VWXFASZGGRDJAU-OAHLLOKOSA-N 1 0 251.373 3.697 40 0 CHABRO CCCC(CCC)[N@H+](CC)CCOC(=O)N(CC)CC ZINC000004743516 170009730 /nfs/dbraw/zinc/00/97/30/170009730.db2.gz ZHVMVBZJHFHZJG-UHFFFAOYSA-N 1 0 286.460 3.756 40 0 CHABRO CC(C)=CC[N@@H+]1CC[C@]2(C)c3cc(O)ccc3CC[C@@H]2C1 ZINC000005158796 170072152 /nfs/dbraw/zinc/07/21/52/170072152.db2.gz UBKGPRKTCCVVBP-APWZRJJASA-N 1 0 285.431 3.884 40 0 CHABRO COc1ccc(/C(Cl)=C/C=[N+]2CCCCC2)cc1 ZINC000005720371 170132779 /nfs/dbraw/zinc/13/27/79/170132779.db2.gz GNSAHNIURLFXHH-DHDCSXOGSA-N 1 0 264.776 3.542 40 0 CHABRO C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000005910018 170153426 /nfs/dbraw/zinc/15/34/26/170153426.db2.gz HYTFDCMTZCHTPS-UHFFFAOYSA-N 1 0 279.742 3.778 40 0 CHABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000005998917 170166319 /nfs/dbraw/zinc/16/63/19/170166319.db2.gz XJWPQJMEHMDIOS-UHFFFAOYSA-N 1 0 294.398 3.925 40 0 CHABRO CC[NH+](CC)C[C@@H](O)c1cccc2cc(Cl)ccc21 ZINC000006382488 170196603 /nfs/dbraw/zinc/19/66/03/170196603.db2.gz AKAWUSJVGKOWBC-MRXNPFEDSA-N 1 0 277.795 3.868 40 0 CHABRO CCCC[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000007261633 170273871 /nfs/dbraw/zinc/27/38/71/170273871.db2.gz UILBFNSXFQVLJW-UHFFFAOYSA-N 1 0 271.788 3.637 40 0 CHABRO CCOc1ccc(C[NH2+]Cc2ccccc2)cc1OCC ZINC000008324915 170331327 /nfs/dbraw/zinc/33/13/27/170331327.db2.gz XDZKOAFYIOYKPK-UHFFFAOYSA-N 1 0 285.387 3.774 40 0 CHABRO C[C@H]([NH3+])CCc1ccc(OCc2ccccc2)cc1 ZINC000022169340 171367200 /nfs/dbraw/zinc/36/72/00/171367200.db2.gz FPECOSYBIOUTMG-AWEZNQCLSA-N 1 0 255.361 3.545 40 0 CHABRO Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000035446543 172202356 /nfs/dbraw/zinc/20/23/56/172202356.db2.gz JZROFTRSWFZTLB-INIZCTEOSA-N 1 0 291.398 3.861 40 0 biogenic,in-vitro CHABRO Cc1ccc2oc([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446506 172202920 /nfs/dbraw/zinc/20/29/20/172202920.db2.gz BGFBBIFLCWTHAB-AWEZNQCLSA-N 1 0 293.370 3.521 40 0 biogenic,in-vitro CHABRO Clc1ccc(Cl)c(COC[C@H]2CCCC[NH2+]2)c1 ZINC000072203609 176341629 /nfs/dbraw/zinc/34/16/29/176341629.db2.gz CLTSTSWSWNNNNQ-GFCCVEGCSA-N 1 0 274.191 3.652 40 0 CHABRO Clc1ccccc1Cc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072343734 176372282 /nfs/dbraw/zinc/37/22/82/176372282.db2.gz CSYIODIYSODKRY-OAHLLOKOSA-N 1 0 272.779 3.750 40 0 CHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2F)on1 ZINC000072395094 176394519 /nfs/dbraw/zinc/39/45/19/176394519.db2.gz LVWIGSODWUGOSU-SUMWQHHRSA-N 1 0 288.366 3.623 40 0 CHABRO CC(C)(C)c1ccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)cc1 ZINC000218837501 333136961 /nfs/dbraw/zinc/13/69/61/333136961.db2.gz FAEJKDIDUFPESY-IAGOWNOFSA-N 1 0 272.436 3.705 40 0 CHABRO CCC[C@@H]([NH2+]Cc1cnc(NC(C)C)nc1)c1ccccc1 ZINC000062717637 333175827 /nfs/dbraw/zinc/17/58/27/333175827.db2.gz MBLRDTKBWNOLRH-QGZVFWFLSA-N 1 0 298.434 3.928 40 0 CHABRO CCCNc1ncc(C[NH2+][C@H](CCC)c2ccccc2)cn1 ZINC000062717711 333176016 /nfs/dbraw/zinc/17/60/16/333176016.db2.gz ZQPXSWANPHDERD-QGZVFWFLSA-N 1 0 298.434 3.930 40 0 CHABRO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2[NH3+] ZINC000245229298 334185509 /nfs/dbraw/zinc/18/55/09/334185509.db2.gz SXFQJBRXNODJBV-AWCPPTIMSA-N 1 0 289.463 3.637 40 0 CHABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCOc1ccccc1C=O ZINC000217790820 533735626 /nfs/dbraw/zinc/73/56/26/533735626.db2.gz OVHLIKDHAZFMQB-HUUCEWRRSA-N 1 0 275.392 3.531 40 0 CHABRO C[C@H]([NH2+]C(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000041610005 566842792 /nfs/dbraw/zinc/84/27/92/566842792.db2.gz MXUDEADPGZWZCH-QMMMGPOBSA-N 1 0 274.191 3.953 40 0 in-vivo CHABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccc(Cl)cc2Cl)C1 ZINC000108349959 567103166 /nfs/dbraw/zinc/10/31/66/567103166.db2.gz UJGDOGDFIJTPLX-IINYFYTJSA-N 1 0 287.234 3.725 40 0 CHABRO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@@H]1c1cccc2cccnc21 ZINC000020111399 567127029 /nfs/dbraw/zinc/12/70/29/567127029.db2.gz MFLKAHOBCOBBJX-LJQANCHMSA-N 1 0 299.377 3.951 40 0 biogenic CHABRO CSC(c1ccccc1Cl)=[N+]1CCCCC1 ZINC000001601771 567839287 /nfs/dbraw/zinc/83/92/87/567839287.db2.gz BKGDRBUZBTYMSW-UHFFFAOYSA-N 1 0 254.806 3.646 40 0 CHABRO CSCCC[NH+](CCCSC)CCCSC ZINC000001632255 567839789 /nfs/dbraw/zinc/83/97/89/567839789.db2.gz CTMLHDKKFMBSDI-UHFFFAOYSA-N 1 0 281.556 3.548 40 0 CHABRO O[C@H](c1cccc2cc(Cl)ccc21)[C@@H]1CCCC[NH2+]1 ZINC000001655470 567840385 /nfs/dbraw/zinc/84/03/85/567840385.db2.gz UUUVXBQKOPGAGB-JKSUJKDBSA-N 1 0 275.779 3.669 40 0 CHABRO CC(=O)c1ccc[n+](Cc2c(Cl)cccc2Cl)c1 ZINC000001727267 567842832 /nfs/dbraw/zinc/84/28/32/567842832.db2.gz GPQHDPXNLRKHEC-UHFFFAOYSA-N 1 0 281.162 3.532 40 0 CHABRO CC[C@H](C)n1c(C)[nH+]c2cc(C(F)(F)F)cc(N)c21 ZINC000002028634 567844210 /nfs/dbraw/zinc/84/42/10/567844210.db2.gz CQMWXYLMHOFJNM-ZETCQYMHSA-N 1 0 271.286 3.917 40 0 CHABRO C[N@@H+]1CC[C@H](C[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000004537366 567858192 /nfs/dbraw/zinc/85/81/92/567858192.db2.gz NZBBMMXOZYOFPC-VQIMIIECSA-N 1 0 287.447 3.796 40 0 CHABRO COc1ccc(-c2cc([C@@H]3CCCCC[NH2+]3)on2)cc1 ZINC000012133667 567862107 /nfs/dbraw/zinc/86/21/07/567862107.db2.gz ISCDBWHLZWAWPF-AWEZNQCLSA-N 1 0 272.348 3.555 40 0 CHABRO C[C@H](C[NH2+][C@@H]1COC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000012220739 567862626 /nfs/dbraw/zinc/86/26/26/567862626.db2.gz IRMRYRSUWXGPRO-MDASCCDHSA-N 1 0 299.389 3.701 40 0 CHABRO Cn1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000019290611 567877457 /nfs/dbraw/zinc/87/74/57/567877457.db2.gz BGTJHTQBINLWMA-QGZVFWFLSA-N 1 0 287.382 3.677 40 0 CHABRO COc1ccc(/C=C2/CC[NH+]=C2c2ccccc2)cc1OC ZINC000031771724 567885215 /nfs/dbraw/zinc/88/52/15/567885215.db2.gz KJXPHAUZUTVYKK-VBKFSLOCSA-N 1 0 293.366 3.980 40 0 CHABRO C[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000042205914 567891298 /nfs/dbraw/zinc/89/12/98/567891298.db2.gz WPQXIRYYMZJHNN-NSHDSACASA-N 1 0 268.198 3.681 40 0 CHABRO CC[N@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000073636021 567893202 /nfs/dbraw/zinc/89/32/02/567893202.db2.gz KCBWEDSXKIJTRA-UHFFFAOYSA-N 1 0 262.740 3.590 40 0 CHABRO CC[N@H+]1CC=C(c2nc3c(cccc3C)s2)CC1 ZINC000073638863 567893468 /nfs/dbraw/zinc/89/34/68/567893468.db2.gz VCHPLODSWPPVRY-UHFFFAOYSA-N 1 0 258.390 3.714 40 0 CHABRO Cc1ccc(C[NH+]2CCCCC2)cc1Br ZINC000090413597 567907718 /nfs/dbraw/zinc/90/77/18/567907718.db2.gz LDVUNTIZUGXNSH-UHFFFAOYSA-N 1 0 268.198 3.743 40 0 CHABRO OCC[N@H+](Cc1cccs1)Cc1cccc2ccccc21 ZINC000013997427 567912559 /nfs/dbraw/zinc/91/25/59/567912559.db2.gz DVASXNQUZFXSIJ-UHFFFAOYSA-N 1 0 297.423 3.896 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1OC(C)C ZINC000072211963 567918082 /nfs/dbraw/zinc/91/80/82/567918082.db2.gz FRCYRFSDMRZTJJ-HNNXBMFYSA-N 1 0 262.397 3.662 40 0 CHABRO CCN(CC)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072212839 567918295 /nfs/dbraw/zinc/91/82/95/567918295.db2.gz LEULWFVPQUYQBN-INIZCTEOSA-N 1 0 275.440 3.721 40 0 CHABRO CCN(CC)c1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072212900 567918428 /nfs/dbraw/zinc/91/84/28/567918428.db2.gz OEWXVBAERRMTRZ-MRXNPFEDSA-N 1 0 275.440 3.721 40 0 CHABRO CN(C)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212682 567918605 /nfs/dbraw/zinc/91/86/05/567918605.db2.gz DCUQEPYYYKKNMG-SFHVURJKSA-N 1 0 295.430 3.875 40 0 CHABRO c1cnc(NC2CCCCC2)c([C@@H]2CCCC[NH2+]2)c1 ZINC000072214030 567918782 /nfs/dbraw/zinc/91/87/82/567918782.db2.gz LOFUKWMDHHUUGW-HNNXBMFYSA-N 1 0 259.397 3.641 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1NCC(C)C ZINC000072213270 567918840 /nfs/dbraw/zinc/91/88/40/567918840.db2.gz BVJKSJNEVTYBPE-OAHLLOKOSA-N 1 0 261.413 3.696 40 0 CHABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213898 567919063 /nfs/dbraw/zinc/91/90/63/567919063.db2.gz OVOWSUNNUJYNQK-HNNXBMFYSA-N 1 0 259.397 3.591 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213841 567919160 /nfs/dbraw/zinc/91/91/60/567919160.db2.gz LZIXCZIKSQVMAM-MRXNPFEDSA-N 1 0 273.424 3.839 40 0 CHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213741 567919288 /nfs/dbraw/zinc/91/92/88/567919288.db2.gz GXWHTQNJNZIEAW-INIZCTEOSA-N 1 0 273.424 3.839 40 0 CHABRO COc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)c(C)n1 ZINC000072218099 567919473 /nfs/dbraw/zinc/91/94/73/567919473.db2.gz KNAMMSCLYHKFRE-OAHLLOKOSA-N 1 0 262.397 3.582 40 0 CHABRO Cc1cc([C@H]2CCC[N@H+]2CC(C)C)cnc1Cl ZINC000072217784 567920503 /nfs/dbraw/zinc/92/05/03/567920503.db2.gz MFIYDXZLLXPSHG-CYBMUJFWSA-N 1 0 252.789 3.836 40 0 CHABRO c1ccc(Sc2ncccc2[C@@H]2CCC[NH2+]2)cc1 ZINC000072217643 567920703 /nfs/dbraw/zinc/92/07/03/567920703.db2.gz ABJIBAJRYAOASR-AWEZNQCLSA-N 1 0 256.374 3.657 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217785 567920802 /nfs/dbraw/zinc/92/08/02/567920802.db2.gz VPFQJANWZRRKAB-CYBMUJFWSA-N 1 0 252.789 3.980 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(SC)nc1 ZINC000072216886 567921403 /nfs/dbraw/zinc/92/14/03/567921403.db2.gz OHYXVVNRQYZVNA-CYBMUJFWSA-N 1 0 250.411 3.741 40 0 CHABRO CNc1cc(C)c([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072219063 567921535 /nfs/dbraw/zinc/92/15/35/567921535.db2.gz CIQFVEIMCYQJQD-OAHLLOKOSA-N 1 0 261.413 3.615 40 0 CHABRO Cc1cc([C@@H]2CCC[N@H+]2C(C)C)cnc1N1CCCCC1 ZINC000072219159 567921632 /nfs/dbraw/zinc/92/16/32/567921632.db2.gz CATOTQZNNYHYRF-KRWDZBQOSA-N 1 0 287.451 3.926 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218925 567921657 /nfs/dbraw/zinc/92/16/57/567921657.db2.gz YDVNFHVQAPIRFL-QGZVFWFLSA-N 1 0 287.451 3.927 40 0 CHABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218861 567921664 /nfs/dbraw/zinc/92/16/64/567921664.db2.gz ZPQXPZZXYQWKDM-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1cnccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219503 567921820 /nfs/dbraw/zinc/92/18/20/567921820.db2.gz VKZHVDUEJBFGRM-KRWDZBQOSA-N 1 0 252.361 3.727 40 0 CHABRO Cc1cc([C@@H]2CCCC[N@H+]2C)cnc1N1CCCCC1 ZINC000072219174 567921926 /nfs/dbraw/zinc/92/19/26/567921926.db2.gz NCUPKNJPVVDCFO-INIZCTEOSA-N 1 0 273.424 3.537 40 0 CHABRO Cc1nc(N2CCCC2)ccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072218923 567921975 /nfs/dbraw/zinc/92/19/75/567921975.db2.gz VPIRXTBPXRRIAY-KRWDZBQOSA-N 1 0 287.451 3.783 40 0 CHABRO CC[C@@H]([NH3+])c1cnc(Sc2ccccc2)c(C)c1 ZINC000072222153 567922388 /nfs/dbraw/zinc/92/23/88/567922388.db2.gz LQGNYGPUZJQSKM-CQSZACIVSA-N 1 0 258.390 3.951 40 0 CHABRO Cc1nc(SC2CCCCC2)ccc1[C@H](C)[NH3+] ZINC000072224885 567922563 /nfs/dbraw/zinc/92/25/63/567922563.db2.gz SSOCZGIOLKAEEP-JTQLQIEISA-N 1 0 250.411 3.835 40 0 CHABRO CC[C@@]1(C)C[C@@](CC[NH3+])(c2ccc(C)cc2)CCO1 ZINC000000171681 567924434 /nfs/dbraw/zinc/92/44/34/567924434.db2.gz LSXKXJPDFZUXNV-IRXDYDNUSA-N 1 0 261.409 3.561 40 0 CHABRO CC[n+]1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000226776500 567929236 /nfs/dbraw/zinc/92/92/36/567929236.db2.gz GFYWPRHLEOMQJA-UHFFFAOYSA-N 1 0 275.784 3.924 40 0 CHABRO CCC[n+]1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000226774691 567929269 /nfs/dbraw/zinc/92/92/69/567929269.db2.gz KOIQYOKILCCTJM-UHFFFAOYSA-N 1 0 253.325 3.501 40 0 CHABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CCCCC2)CC1 ZINC000100809744 567936952 /nfs/dbraw/zinc/93/69/52/567936952.db2.gz HRKOJZMZCVJXFY-GASCZTMLSA-N 1 0 296.455 3.745 40 0 CHABRO O[C@@H](c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001665779 567937436 /nfs/dbraw/zinc/93/74/36/567937436.db2.gz ZGYPFPPCAPRYKE-MOPGFXCFSA-N 1 0 281.399 3.947 40 0 CHABRO [NH3+][C@@H](COc1ccccc1)c1cccc2ccccc21 ZINC000019261067 567943110 /nfs/dbraw/zinc/94/31/10/567943110.db2.gz YFAUMLMCDQTERU-SFHVURJKSA-N 1 0 263.340 3.919 40 0 CHABRO CC[NH+](CC)CCC[C@@H](C)Nc1nncc2ccccc21 ZINC000016951698 567944415 /nfs/dbraw/zinc/94/44/15/567944415.db2.gz WWBCBSGACMLEBM-CQSZACIVSA-N 1 0 286.423 3.552 40 0 CHABRO O[C@@H](C[NH2+]Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000016477357 567944524 /nfs/dbraw/zinc/94/45/24/567944524.db2.gz QNNLFCLLLIGVJI-HNNXBMFYSA-N 1 0 296.197 3.817 40 0 CHABRO CC(C)CC[N@@H+]1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C ZINC000003901496 567945789 /nfs/dbraw/zinc/94/57/89/567945789.db2.gz NRNKPUIJZXENIG-SOLBZPMBSA-N 1 0 275.436 3.651 40 0 CHABRO C[C@@H]1CCCC[N@@H+]1CCCCOc1ccc(C=O)cc1 ZINC000206991457 567946526 /nfs/dbraw/zinc/94/65/26/567946526.db2.gz CPBFCBUKTPVXSC-OAHLLOKOSA-N 1 0 275.392 3.533 40 0 CHABRO CCOc1ccc2c(c1)c(C[NH2+]C)c(C)n2CC(C)C ZINC000223759147 567950831 /nfs/dbraw/zinc/95/08/31/567950831.db2.gz RYHGHBILPINEJR-UHFFFAOYSA-N 1 0 274.408 3.724 40 0 CHABRO CC(C)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225162413 567952545 /nfs/dbraw/zinc/95/25/45/567952545.db2.gz OKLWYSRAVNDOPU-GJZGRUSLSA-N 1 0 277.408 3.551 40 0 CHABRO CC[C@@H](C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000225170623 567952684 /nfs/dbraw/zinc/95/26/84/567952684.db2.gz BHVLXDWIQYEEEP-KEYYUXOJSA-N 1 0 277.408 3.694 40 0 CHABRO CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000225170304 567952731 /nfs/dbraw/zinc/95/27/31/567952731.db2.gz SOKGFMQEYUVEBR-RHSMWYFYSA-N 1 0 277.408 3.695 40 0 CHABRO CCCCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167314 567952748 /nfs/dbraw/zinc/95/27/48/567952748.db2.gz UGDAUCKIQJGURM-PBHICJAKSA-N 1 0 277.408 3.695 40 0 CHABRO Cc1cc(N)c(NC(=O)C(C)C)cc1N1CCCC[C@@H]1C ZINC000216864602 570346945 /nfs/dbraw/zinc/34/69/45/570346945.db2.gz HEWDHURRZMPFJD-ZDUSSCGKSA-N 1 0 289.423 3.551 40 0 CHABRO CCc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000575440738 570347382 /nfs/dbraw/zinc/34/73/82/570347382.db2.gz WWWBFWRUWWKJIJ-OAHLLOKOSA-N 1 0 283.415 3.978 40 0 in-vitro CHABRO CCc1ccc(C[C@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000575440737 570347411 /nfs/dbraw/zinc/34/74/11/570347411.db2.gz WWWBFWRUWWKJIJ-HNNXBMFYSA-N 1 0 283.415 3.978 40 0 in-vitro CHABRO Cc1c(N)cc[nH+]c1-c1cccc(C(=O)OC(C)(C)C)c1 ZINC000214488595 1118600786 /nfs/dbraw/zinc/60/07/86/1118600786.db2.gz SWIANHHXNFHFEV-UHFFFAOYSA-N 1 0 284.359 3.595 40 0 CHABRO CC[C@H](C(=O)c1ccc2c(c1)CCCC2)[NH+]1CCCC1 ZINC000299817118 1119415772 /nfs/dbraw/zinc/41/57/72/1119415772.db2.gz DNKYSKGKPOHTKY-QGZVFWFLSA-N 1 0 271.404 3.623 40 0 in-vitro CHABRO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000017009334 1120393155 /nfs/dbraw/zinc/39/31/55/1120393155.db2.gz MOAYJGSEGKYGEV-CHWSQXEVSA-N 1 0 284.403 3.922 40 0 CHABRO [NH3+][C@@H](Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000021015758 1120898394 /nfs/dbraw/zinc/89/83/94/1120898394.db2.gz BIXMJSZZOSNAGV-AWEZNQCLSA-N 1 0 299.761 3.633 40 0 CHABRO Cc1nn(-c2ccccc2)c(C)c1[C@H]1CCCCC[NH2+]1 ZINC000217460235 1130977873 /nfs/dbraw/zinc/97/78/73/1130977873.db2.gz VNJYSURXIYOQLX-MRXNPFEDSA-N 1 0 269.392 3.694 40 0 CHABRO CCCCOc1ccc([C@@H](C)[NH2+]CCCOC)cc1 ZINC000225169859 189744823 /nfs/dbraw/zinc/74/48/23/189744823.db2.gz BLSJYEWMLKFLIA-CQSZACIVSA-N 1 0 265.397 3.553 40 0 CHABRO COCCC[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1 ZINC000225169980 189745100 /nfs/dbraw/zinc/74/51/00/189745100.db2.gz MRXYJNFFQLFUFT-CQSZACIVSA-N 1 0 277.408 3.695 40 0 CHABRO Cc1ccc(Oc2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000257197625 190009943 /nfs/dbraw/zinc/00/99/43/190009943.db2.gz FFFYZFGWZFVLAR-CQSZACIVSA-N 1 0 268.360 3.649 40 0 CHABRO O[C@@H](CC[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000001746963 169754156 /nfs/dbraw/zinc/75/41/56/169754156.db2.gz QIYOWKYRYLZLET-SFHVURJKSA-N 1 0 269.388 3.749 40 0 CHABRO CC(C)c1ccc(SCCc2cccc[n+]2C)cc1 ZINC000003065137 169851606 /nfs/dbraw/zinc/85/16/06/169851606.db2.gz IVYQFQQASYQJHK-UHFFFAOYSA-N 1 0 272.437 3.969 40 0 CHABRO CCCC[NH+](CCCC)CCOC(=O)c1cccc(F)c1 ZINC000004411925 169966671 /nfs/dbraw/zinc/96/66/71/169966671.db2.gz ZQMANNVEVIHIAB-UHFFFAOYSA-N 1 0 295.398 3.885 40 0 CHABRO CN(C)c1ccc(C(=[NH2+])Cc2ccc3ccccc3n2)cc1 ZINC000004772089 170014382 /nfs/dbraw/zinc/01/43/82/170014382.db2.gz MPPMMBDPRBTMGG-UHFFFAOYSA-N 1 0 289.382 3.911 40 0 CHABRO CC(C)[NH2+]CCC[C@H](C)Nc1cc(O)cc2cccnc21 ZINC000005421308 170097558 /nfs/dbraw/zinc/09/75/58/170097558.db2.gz BQXVFZVEBYAYEJ-ZDUSSCGKSA-N 1 0 287.407 3.519 40 0 CHABRO [NH3+]Cc1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000005763238 170138258 /nfs/dbraw/zinc/13/82/58/170138258.db2.gz AVNTZEXLIDRINJ-UHFFFAOYSA-N 1 0 251.251 3.831 40 0 CHABRO C[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000005910010 170153771 /nfs/dbraw/zinc/15/37/71/170153771.db2.gz IUXGNVLEJQCBHJ-UHFFFAOYSA-N 1 0 291.778 3.647 40 0 CHABRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]C(C)(C)CO)cc1 ZINC000006522724 170209629 /nfs/dbraw/zinc/20/96/29/170209629.db2.gz YMUFTSXVUQUZLE-SFHVURJKSA-N 1 0 283.415 3.639 40 0 CHABRO O[C@H](CC[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000006575573 170214597 /nfs/dbraw/zinc/21/45/97/170214597.db2.gz XXBRJGCJCMOIFO-CHNSHAQVSA-N 1 0 285.431 3.669 40 0 CHABRO CC[C@@H]1CCCC[N@@H+]1CCCOc1ccccc1C=O ZINC000008731535 170351217 /nfs/dbraw/zinc/35/12/17/170351217.db2.gz CUDYOZDLNBETNG-MRXNPFEDSA-N 1 0 275.392 3.533 40 0 CHABRO C[n+]1cccc([C@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@H]32)c1 ZINC000012655912 170503195 /nfs/dbraw/zinc/50/31/95/170503195.db2.gz RSUINDYISXUKNH-AKHDSKFASA-N 1 0 284.423 3.868 40 0 CHABRO CC(C)(C)OC(=O)Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC000022015236 171349709 /nfs/dbraw/zinc/34/97/09/171349709.db2.gz FXVKGMPRRHBJNX-UHFFFAOYSA-N 1 0 276.380 3.501 40 0 CHABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nc3ccccc3o2)C1 ZINC000035446531 172202621 /nfs/dbraw/zinc/20/26/21/172202621.db2.gz YAHYYWBITCKKAW-AWEZNQCLSA-N 1 0 296.345 3.956 40 0 biogenic,in-vitro CHABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccncc2)cc1 ZINC000072211049 176342675 /nfs/dbraw/zinc/34/26/75/176342675.db2.gz XAEJVXZQIVOGMD-QGZVFWFLSA-N 1 0 252.361 3.809 40 0 CHABRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccncc1 ZINC000072350997 176373830 /nfs/dbraw/zinc/37/38/30/176373830.db2.gz UYATWASYAAIBPJ-AWEZNQCLSA-N 1 0 258.390 3.653 40 0 CHABRO C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357513 176375931 /nfs/dbraw/zinc/37/59/31/176375931.db2.gz YTACZXAEFUUTDZ-QGZVFWFLSA-N 1 0 270.351 3.578 40 0 CHABRO C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358369 176376423 /nfs/dbraw/zinc/37/64/23/176376423.db2.gz WUGBIZSYOULTQC-CYBMUJFWSA-N 1 0 287.794 3.606 40 0 CHABRO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000072365358 176380457 /nfs/dbraw/zinc/38/04/57/176380457.db2.gz HQGXDNFKGUCECR-OAHLLOKOSA-N 1 0 281.403 3.570 40 0 CHABRO Fc1cc(C[NH2+]Cc2ccccc2)ccc1Br ZINC000043576952 260299420 /nfs/dbraw/zinc/29/94/20/260299420.db2.gz RQNDUPXKAFEBKU-UHFFFAOYSA-N 1 0 294.167 3.878 40 0 CHABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCOc1ccccc1C=O ZINC000217796195 533827360 /nfs/dbraw/zinc/82/73/60/533827360.db2.gz YUHRPNBHESYHBU-IYBDPMFKSA-N 1 0 289.419 3.921 40 0 CHABRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000000568242 528191062 /nfs/dbraw/zinc/19/10/62/528191062.db2.gz QDTDSGHHEVSAEL-UHFFFAOYSA-N 1 0 296.414 3.710 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(SC)nc1 ZINC000072216900 567920879 /nfs/dbraw/zinc/92/08/79/567920879.db2.gz FARFSKADGKVFGN-ZDUSSCGKSA-N 1 0 250.411 3.741 40 0 CHABRO Cc1[nH]c(=S)ccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072218401 567921053 /nfs/dbraw/zinc/92/10/53/567921053.db2.gz IVKXZLREVGYWDR-CYBMUJFWSA-N 1 0 250.411 3.614 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1OC(C)C ZINC000072211977 567918085 /nfs/dbraw/zinc/91/80/85/567918085.db2.gz XBPAHAWJYVGVIN-OAHLLOKOSA-N 1 0 262.397 3.806 40 0 CHABRO CC[NH2+]Cc1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000223677378 567950398 /nfs/dbraw/zinc/95/03/98/567950398.db2.gz WAOPHDNTBPDYLM-CQSZACIVSA-N 1 0 256.393 3.824 40 0 CHABRO CCC[C@@H](C(=O)c1ccc(C)c(C)c1)[NH+]1CCCC1 ZINC000575598505 566944040 /nfs/dbraw/zinc/94/40/40/566944040.db2.gz IKKXRCRMSQZNLG-INIZCTEOSA-N 1 0 259.393 3.751 40 0 in-vitro CHABRO Clc1ccc(COC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000028521985 566945837 /nfs/dbraw/zinc/94/58/37/566945837.db2.gz CEGNUXJEBIUJDL-NSHDSACASA-N 1 0 274.191 3.510 40 0 CHABRO c1ccc([C@H]2C[N@@H+](C[C@H]3CCOC3)CC23CCCC3)cc1 ZINC000019370000 567082026 /nfs/dbraw/zinc/08/20/26/567082026.db2.gz UDZOJCHIZIODME-SJLPKXTDSA-N 1 0 285.431 3.683 40 0 CHABRO [NH3+][C@@H]1C[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000070453081 567118181 /nfs/dbraw/zinc/11/81/81/567118181.db2.gz GKVNCHFBXNLICC-GHMZBOCLSA-N 1 0 267.250 3.780 40 0 CHABRO C[C@@H]1CCCN([C@H](C[NH3+])c2cccc(Cl)c2Cl)C1 ZINC000242495600 567142905 /nfs/dbraw/zinc/14/29/05/567142905.db2.gz GKTKLFLXYDSQAX-ZWNOBZJWSA-N 1 0 287.234 3.725 40 0 CHABRO O=C1CCC[C@H]1[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000217464640 567170056 /nfs/dbraw/zinc/17/00/56/567170056.db2.gz OMWBVERYXPTJQI-DLBZAZTESA-N 1 0 271.404 3.800 40 0 CHABRO Brc1ccc([C@H]2C[C@H]2C[NH+]2CCCC2)cc1 ZINC000217809453 567175502 /nfs/dbraw/zinc/17/55/02/567175502.db2.gz XRBKNTXOIJFLEF-GXTWGEPZSA-N 1 0 280.209 3.648 40 0 CHABRO Brc1ccc([C@@H]2C[C@@H]2C[NH+]2CCCC2)cc1 ZINC000217809276 567175698 /nfs/dbraw/zinc/17/56/98/567175698.db2.gz XRBKNTXOIJFLEF-OCCSQVGLSA-N 1 0 280.209 3.648 40 0 CHABRO CC(C)c1ccc(C2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000055241254 567823264 /nfs/dbraw/zinc/82/32/64/567823264.db2.gz WQBUETUKVZJWDL-UHFFFAOYSA-N 1 0 261.409 3.502 40 0 CHABRO CC(=O)Oc1ccc(-c2sc3cc(C)ccc3[n+]2C)cc1 ZINC000001600334 567839403 /nfs/dbraw/zinc/83/94/03/567839403.db2.gz QEFBMOJWPNCEBI-UHFFFAOYSA-N 1 0 298.387 3.627 40 0 CHABRO CC[NH+](CC)C[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001671246 567841037 /nfs/dbraw/zinc/84/10/37/567841037.db2.gz AJVAWAZHINELBV-RBUKOAKNSA-N 1 0 283.415 3.846 40 0 CHABRO CC(C)[NH2+]CCCCCNc1cccc2cccnc21 ZINC000001687533 567841286 /nfs/dbraw/zinc/84/12/86/567841286.db2.gz YZWOMVXWGMUEJN-UHFFFAOYSA-N 1 0 271.408 3.815 40 0 CHABRO C[C@H](CN1c2ccccc2Sc2cccnc21)[NH+](C)C ZINC000001678303 567841438 /nfs/dbraw/zinc/84/14/38/567841438.db2.gz OQJBSDFFQWMKBQ-GFCCVEGCSA-N 1 0 285.416 3.634 40 0 world CHABRO Cc1cc2cc(C[NH2+]C3CCCCC3)c(=O)[nH]c2cc1C ZINC000004130515 567855395 /nfs/dbraw/zinc/85/53/95/567855395.db2.gz ULRSECCAYRPPEL-UHFFFAOYSA-N 1 0 284.403 3.567 40 0 CHABRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1OC ZINC000004240694 567856385 /nfs/dbraw/zinc/85/63/85/567856385.db2.gz VWNXQIVCUARDPH-CYBMUJFWSA-N 1 0 271.360 3.555 40 0 CHABRO CC[C@H](C)Cn1c2ccccc2nc1C[NH+]1CCCC1 ZINC000015922133 567871751 /nfs/dbraw/zinc/87/17/51/567871751.db2.gz WAGHTVDCPIAPRI-AWEZNQCLSA-N 1 0 271.408 3.678 40 0 CHABRO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccc(C)n2)on1 ZINC000019236252 567877398 /nfs/dbraw/zinc/87/73/98/567877398.db2.gz VVLSVDXCHOUFTC-INIZCTEOSA-N 1 0 285.391 3.804 40 0 CHABRO c1ccc([C@H]2[C@H]([NH2+]CC3=CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000019373719 567877739 /nfs/dbraw/zinc/87/77/39/567877739.db2.gz PTSYNSVXXOTRDY-INDMIFKZSA-N 1 0 283.415 3.505 40 0 CHABRO [NH3+][C@H](c1cccs1)c1ccccc1Br ZINC000019841944 567879292 /nfs/dbraw/zinc/87/92/92/567879292.db2.gz PFZWSTXOJJELPA-NSHDSACASA-N 1 0 268.179 3.559 40 0 CHABRO CC(C)(O)[C@]1(C)c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000019848037 567879101 /nfs/dbraw/zinc/87/91/01/567879101.db2.gz UOGRJJMJWDCFCP-FQEVSTJZSA-N 1 0 295.426 3.731 40 0 CHABRO Cc1ccc(Cn2cccc2C[NH2+]CC(C)C)cc1 ZINC000037696324 567880378 /nfs/dbraw/zinc/88/03/78/567880378.db2.gz PLERRMWWSAYOQT-UHFFFAOYSA-N 1 0 256.393 3.590 40 0 CHABRO CCCC[NH2+]Cc1ccc(OCC(C)C)c(OC)c1 ZINC000032114206 567885404 /nfs/dbraw/zinc/88/54/04/567885404.db2.gz NXCAZBXITDNXAF-UHFFFAOYSA-N 1 0 265.397 3.620 40 0 CHABRO CCCCC[C@@H](C[NH+](C)C)[C@H](O)/C=C/c1ccccc1 ZINC000033917861 567887080 /nfs/dbraw/zinc/88/70/80/567887080.db2.gz DEETXEARXAKUHP-DPYIKZRWSA-N 1 0 275.436 3.819 40 0 CHABRO C[C@@H]1CCC[C@H](C)N1CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000114718899 567910260 /nfs/dbraw/zinc/91/02/60/567910260.db2.gz RVIVTMWGPRUAIG-GEEKYZPCSA-N 1 0 252.446 3.512 40 0 CHABRO Cc1ccsc1C[NH+](Cc1sccc1C)C[C@@H](C)O ZINC000013991510 567912331 /nfs/dbraw/zinc/91/23/31/567912331.db2.gz AMMIRMZXVDDNBN-CYBMUJFWSA-N 1 0 295.473 3.809 40 0 CHABRO O[C@@H]1[C@@H]2CCC[C@H]1[C@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000100672332 567913724 /nfs/dbraw/zinc/91/37/24/567913724.db2.gz USAKVYHRWZXKIZ-WPVAHCMFSA-N 1 0 293.410 3.849 40 0 CHABRO [NH3+]C1(c2ccc3ccc(Br)cc3c2)CC1 ZINC000258425862 567917172 /nfs/dbraw/zinc/91/71/72/567917172.db2.gz GNDZWPGITKRTDZ-UHFFFAOYSA-N 1 0 262.150 3.550 40 0 CHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)nc1 ZINC000072211558 567917761 /nfs/dbraw/zinc/91/77/61/567917761.db2.gz RORVVFQIAPPTPP-GFCCVEGCSA-N 1 0 283.213 3.781 40 0 CHABRO CC(C)CNc1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072213254 567918096 /nfs/dbraw/zinc/91/80/96/567918096.db2.gz UAWUNIWKMNGZSC-OAHLLOKOSA-N 1 0 261.413 3.695 40 0 CHABRO C[N@@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212034 567918335 /nfs/dbraw/zinc/91/83/35/567918335.db2.gz VHHASBILFTZSES-KRWDZBQOSA-N 1 0 282.387 3.817 40 0 CHABRO CC(C)N(c1ncccc1[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000072213031 567918344 /nfs/dbraw/zinc/91/83/44/567918344.db2.gz YMWDGNHZDNMBEL-MRXNPFEDSA-N 1 0 275.440 3.862 40 0 CHABRO CCCNc1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC000072213213 567918466 /nfs/dbraw/zinc/91/84/66/567918466.db2.gz QJWLBMOLIOFMST-OAHLLOKOSA-N 1 0 261.413 3.841 40 0 CHABRO CNc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212562 567918648 /nfs/dbraw/zinc/91/86/48/567918648.db2.gz GQXHOCPFAXPEFT-KRWDZBQOSA-N 1 0 281.403 3.851 40 0 CHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213796 567918776 /nfs/dbraw/zinc/91/87/76/567918776.db2.gz IIJCTIFSMHHDPY-OAHLLOKOSA-N 1 0 259.397 3.593 40 0 CHABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213739 567918899 /nfs/dbraw/zinc/91/88/99/567918899.db2.gz AZXVVTDPPRIPGL-HNNXBMFYSA-N 1 0 259.397 3.591 40 0 CHABRO CC(C)CNc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072213313 567919281 /nfs/dbraw/zinc/91/92/81/567919281.db2.gz DWVMLWIUNZSFFZ-HNNXBMFYSA-N 1 0 261.413 3.695 40 0 CHABRO c1ccc(Nc2ncccc2[C@@H]2CCCC[NH2+]2)cc1 ZINC000072214150 567919454 /nfs/dbraw/zinc/91/94/54/567919454.db2.gz FTBBXBTXDNOLIR-HNNXBMFYSA-N 1 0 253.349 3.640 40 0 CHABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(Cl)cc1C ZINC000072217859 567920394 /nfs/dbraw/zinc/92/03/94/567920394.db2.gz LKYVPOPVNWGHPE-ZDUSSCGKSA-N 1 0 252.789 3.980 40 0 CHABRO Cc1nc(Cl)ccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072217921 567920588 /nfs/dbraw/zinc/92/05/88/567920588.db2.gz BNUMWGABLJBQDM-CYBMUJFWSA-N 1 0 252.789 3.979 40 0 CHABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217786 567920755 /nfs/dbraw/zinc/92/07/55/567920755.db2.gz VPFQJANWZRRKAB-ZDUSSCGKSA-N 1 0 252.789 3.980 40 0 CHABRO Cc1cc(Cl)ncc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072217860 567920815 /nfs/dbraw/zinc/92/08/15/567920815.db2.gz UXNLOLANLPYEGF-ZDUSSCGKSA-N 1 0 252.789 3.979 40 0 CHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216105 567920822 /nfs/dbraw/zinc/92/08/22/567920822.db2.gz ZUVOQWPMFPTQOJ-QGZVFWFLSA-N 1 0 287.451 3.865 40 0 CHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217026 567921013 /nfs/dbraw/zinc/92/10/13/567921013.db2.gz QRHUSMKDWZNPFM-ZDUSSCGKSA-N 1 0 250.411 3.697 40 0 CHABRO Cc1cc(N2CCCCC2)ncc1[C@H]1CCC[N@H+]1C(C)C ZINC000072219220 567921618 /nfs/dbraw/zinc/92/16/18/567921618.db2.gz HIDUAEMOURONMU-QGZVFWFLSA-N 1 0 287.451 3.926 40 0 CHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(NC)nc1C ZINC000072219124 567921763 /nfs/dbraw/zinc/92/17/63/567921763.db2.gz YMKFQLWRSKTWRP-OAHLLOKOSA-N 1 0 261.413 3.759 40 0 CHABRO Cc1cc([C@H]2CCC[N@H+]2C(C)C)cnc1N1CCCCC1 ZINC000072219160 567921855 /nfs/dbraw/zinc/92/18/55/567921855.db2.gz CATOTQZNNYHYRF-QGZVFWFLSA-N 1 0 287.451 3.926 40 0 CHABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218876 567921908 /nfs/dbraw/zinc/92/19/08/567921908.db2.gz YZSNRHOBRDSALU-MRXNPFEDSA-N 1 0 273.424 3.537 40 0 CHABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219297 567921953 /nfs/dbraw/zinc/92/19/53/567921953.db2.gz XSABRXPCJBXZLH-KRWDZBQOSA-N 1 0 287.451 3.927 40 0 CHABRO [NH3+][C@H](c1ccccc1)c1ccc(NCc2ccccc2)nc1 ZINC000072225355 567922238 /nfs/dbraw/zinc/92/22/38/567922238.db2.gz UOROBKBCBIDAJN-LJQANCHMSA-N 1 0 289.382 3.742 40 0 CHABRO COc1cccc(OC)c1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072221439 567922254 /nfs/dbraw/zinc/92/22/54/567922254.db2.gz ONHLCMCKRGYGHY-ZDUSSCGKSA-N 1 0 263.381 3.639 40 0 CHABRO CCC[n+]1ccc(-c2nc3c(cccc3C)s2)cc1 ZINC000226776524 567929261 /nfs/dbraw/zinc/92/92/61/567929261.db2.gz MGTUUQUXMSXLAI-UHFFFAOYSA-N 1 0 269.393 3.969 40 0 CHABRO CC[n+]1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000226774583 567929276 /nfs/dbraw/zinc/92/92/76/567929276.db2.gz ZXKVBHPOEKCZMZ-UHFFFAOYSA-N 1 0 267.352 3.926 40 0 CHABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc12 ZINC000004130502 567932490 /nfs/dbraw/zinc/93/24/90/567932490.db2.gz XMKQJYZVIBYOGJ-UHFFFAOYSA-N 1 0 284.403 3.567 40 0 CHABRO CC[NH+](CC)CCC[C@H](C)Nc1ncnc2ccccc21 ZINC000001592008 567937369 /nfs/dbraw/zinc/93/73/69/567937369.db2.gz RJBCXEKWORHRHM-AWEZNQCLSA-N 1 0 286.423 3.552 40 0 CHABRO Fc1ccc(C[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC000015424178 567944081 /nfs/dbraw/zinc/94/40/81/567944081.db2.gz GBRFRAWXJWVHHW-UHFFFAOYSA-N 1 0 254.308 3.597 40 0 CHABRO Cc1cc(NCC[NH3+])c2cccc(Oc3ccccc3)c2n1 ZINC000222692925 567948858 /nfs/dbraw/zinc/94/88/58/567948858.db2.gz OWXDRQPIFVSKQV-UHFFFAOYSA-N 1 0 293.370 3.706 40 0 CHABRO CC[NH2+]Cc1cc(C)n(Cc2ccc(C)cc2)c1C ZINC000223663297 567950254 /nfs/dbraw/zinc/95/02/54/567950254.db2.gz UUVMDWSGVCFCGT-UHFFFAOYSA-N 1 0 256.393 3.571 40 0 CHABRO CCCC[NH2+]Cc1cccn1-c1cc(C)ccc1C ZINC000223681494 567950411 /nfs/dbraw/zinc/95/04/11/567950411.db2.gz MTUWDAIUYNODQY-UHFFFAOYSA-N 1 0 256.393 3.984 40 0 CHABRO Cc1c(C[NH2+]C(C)C)c2cc(O)ccc2n1C(C)C ZINC000223768460 567950698 /nfs/dbraw/zinc/95/06/98/567950698.db2.gz HVOQVQFDBHHPDC-UHFFFAOYSA-N 1 0 260.381 3.734 40 0 CHABRO CCCCn1c(C)c(C[NH2+]CCC)c2cc(O)ccc21 ZINC000223765489 567950769 /nfs/dbraw/zinc/95/07/69/567950769.db2.gz BPGIKNGACKGLJM-UHFFFAOYSA-N 1 0 274.408 3.955 40 0 CHABRO CC[C@@H](C)Oc1ccc2c(c1)c(C[NH3+])c(C)n2CC ZINC000223757312 567950843 /nfs/dbraw/zinc/95/08/43/567950843.db2.gz COZINERCGYRCBH-LLVKDONJSA-N 1 0 260.381 3.606 40 0 CHABRO CC[C@H](C)Oc1cccc([C@@H](C)[NH2+]CCCOC)c1 ZINC000225166995 567952760 /nfs/dbraw/zinc/95/27/60/567952760.db2.gz BSSLLKWLYFGZDA-UONOGXRCSA-N 1 0 265.397 3.551 40 0 CHABRO CC[C@@H](C)Oc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167810 567952784 /nfs/dbraw/zinc/95/27/84/567952784.db2.gz JLUASHWRFHLWRX-CPUCHLNUSA-N 1 0 277.408 3.694 40 0 CHABRO C[NH+](C)CCCOc1cccc(F)c1Oc1ccccc1 ZINC000585266169 570256750 /nfs/dbraw/zinc/25/67/50/570256750.db2.gz DVJYLHBVWDJWHD-UHFFFAOYSA-N 1 0 289.350 3.949 40 0 CHABRO CC[C@@]1(C)C[C@@H]([C@H](CC[NH3+])c2ccccc2)CCO1 ZINC000102806771 570259859 /nfs/dbraw/zinc/25/98/59/570259859.db2.gz XFYDEOVNLBSXAJ-BBWFWOEESA-N 1 0 261.409 3.714 40 0 CHABRO