smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cccnc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000064550051 214791948 /nfs/dbraw/zinc/79/19/48/214791948.db2.gz VMVVEALWGMZVMD-UHFFFAOYSA-N 1 0 349.478 3.600 40 0 EHABRO C[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019495817 202009094 /nfs/dbraw/zinc/00/90/94/202009094.db2.gz FVEFMSZTHXCPMG-PKOFMYQESA-N 1 0 326.484 3.511 40 0 EHABRO CCc1ncc(C[NH+]2CCC(CCc3ccccc3OC)CC2)cn1 ZINC000019523341 202010441 /nfs/dbraw/zinc/01/04/41/202010441.db2.gz BTDBPZPAIBGUNO-UHFFFAOYSA-N 1 0 339.483 3.892 40 0 EHABRO CCCn1ncc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)c1C ZINC000019525911 202010553 /nfs/dbraw/zinc/01/05/53/202010553.db2.gz UKACJAJPUKPPRD-UHFFFAOYSA-N 1 0 340.471 3.840 40 0 EHABRO Cc1c2ccccc2oc1C[NH+]1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019566354 202010924 /nfs/dbraw/zinc/01/09/24/202010924.db2.gz LNSPZYYYAOQBNM-HZPDHXFCSA-N 1 0 342.483 3.815 40 0 EHABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC1CCCC1 ZINC000019589206 202012775 /nfs/dbraw/zinc/01/27/75/202012775.db2.gz RUCRIMSTWMYRLQ-SFHLNBCPSA-N 1 0 344.474 3.795 40 0 EHABRO Cc1[nH]c2c(cccc2C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1C ZINC000019576912 202012971 /nfs/dbraw/zinc/01/29/71/202012971.db2.gz YICYLENDKWILLI-AWEZNQCLSA-N 1 0 327.472 3.779 40 0 EHABRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000019658624 202014509 /nfs/dbraw/zinc/01/45/09/202014509.db2.gz HZIVQDPCUSCFAI-MRXNPFEDSA-N 1 0 337.471 3.730 40 0 EHABRO CC[NH+]1CCN([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000020192570 202034732 /nfs/dbraw/zinc/03/47/32/202034732.db2.gz SVZFZLJWUPBJMM-NRFANRHFSA-N 1 0 334.467 3.598 40 0 EHABRO O=C(Nc1cccnc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039753655 202162658 /nfs/dbraw/zinc/16/26/58/202162658.db2.gz JNQBLCQHPFKPDL-UHFFFAOYSA-N 1 0 347.821 3.725 40 0 EHABRO CCCC[NH+](CCCC)Cc1ccc([C@H]2C[C@@H](C(N)=O)CC2=O)cc1 ZINC000057327831 201139279 /nfs/dbraw/zinc/13/92/79/201139279.db2.gz FXOLDAHPYBOPMB-RTBURBONSA-N 1 0 344.499 3.637 40 0 EHABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000223220672 241617161 /nfs/dbraw/zinc/61/71/61/241617161.db2.gz JZPWGHZTLHPURH-SFHVURJKSA-N 1 0 346.515 3.878 40 0 EHABRO Cc1cccc(C[N@@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257219810 244181110 /nfs/dbraw/zinc/18/11/10/244181110.db2.gz DIGITLOTTSMHNS-LJQANCHMSA-N 1 0 347.462 3.629 40 0 EHABRO Cc1nc([C@H]2CCCC[NH2+]2)nc2c1CCCN2CCc1ccccc1 ZINC000257241170 244244003 /nfs/dbraw/zinc/24/40/03/244244003.db2.gz HWXAYCNYZUWFGU-LJQANCHMSA-N 1 0 336.483 3.595 40 0 EHABRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389990 203212978 /nfs/dbraw/zinc/21/29/78/203212978.db2.gz OMDMNVPFUIXNPX-GOSISDBHSA-N 1 0 334.423 3.820 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390030 203213247 /nfs/dbraw/zinc/21/32/47/203213247.db2.gz YEHCDLPYLUEPRN-QGZVFWFLSA-N 1 0 334.423 3.820 40 0 EHABRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](CC1CCC1)CC2 ZINC000096244752 203881323 /nfs/dbraw/zinc/88/13/23/203881323.db2.gz JZOPYLGYZBTATA-HXUWFJFHSA-N 1 0 338.495 3.862 40 0 EHABRO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@H+](CC1CCCC1)C2 ZINC000108527120 204264929 /nfs/dbraw/zinc/26/49/29/204264929.db2.gz GYKSRAGTFGLAPU-SJLPKXTDSA-N 1 0 340.458 3.583 40 0 EHABRO COc1ccc2[nH]c(C)c(C[NH+](CC(C)C)CC(C)C)c(=O)c2c1 ZINC000000143745 563243335 /nfs/dbraw/zinc/24/33/35/563243335.db2.gz OXPRNGDPILDQEL-UHFFFAOYSA-N 1 0 330.472 3.959 40 0 EHABRO O=C1OC2=C(CCCC2)[C@H]([NH+]2CCCCC2)C12SCCCS2 ZINC000001565370 563392488 /nfs/dbraw/zinc/39/24/88/563392488.db2.gz OEYWTFIUIXVNHY-HNNXBMFYSA-N 1 0 339.526 3.792 40 0 EHABRO CC[NH+](CC)CCSCCNc1cc(OC)cc2cccnc21 ZINC000001729588 563407891 /nfs/dbraw/zinc/40/78/91/563407891.db2.gz URKWFYDKHFOJNQ-UHFFFAOYSA-N 1 0 333.501 3.730 40 0 EHABRO CCSC[C@H](COc1ccccc1C)OCC[NH+](CC)CC ZINC000002042850 563419457 /nfs/dbraw/zinc/41/94/57/563419457.db2.gz PHLFQZQNHYRWRW-KRWDZBQOSA-N 1 0 325.518 3.854 40 0 EHABRO Cc1cc(C)c([C@@H]2SC(=[NH2+])N[C@H]2[C@H](O)c2ccccc2)c(C)c1 ZINC000035310479 563558275 /nfs/dbraw/zinc/55/82/75/563558275.db2.gz GUUSIDHEGVWPIO-KSZLIROESA-N 1 0 326.465 3.817 40 0 EHABRO Fc1cccc(F)c1Cn1c(C2CC[NH2+]CC2)cc2cccnc21 ZINC000012133733 563654350 /nfs/dbraw/zinc/65/43/50/563654350.db2.gz ARUXVKYYUOHPDG-UHFFFAOYSA-N 1 0 327.378 3.830 40 0 EHABRO O[C@H](C[NH+]1CCC2(C=Cc3ccccc3O2)CC1)c1ccc(F)cc1 ZINC000012187992 563655394 /nfs/dbraw/zinc/65/53/94/563655394.db2.gz QYPSZQRUUKFIIA-LJQANCHMSA-N 1 0 339.410 3.800 40 0 EHABRO Cc1ccc(C2(O)CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000012330710 563658108 /nfs/dbraw/zinc/65/81/08/563658108.db2.gz UZNMYEMVIUXEBS-UHFFFAOYSA-N 1 0 347.462 3.664 40 0 EHABRO Cc1cc(-c2snnc2C2CC[NH+](Cc3cccs3)CC2)on1 ZINC000019120821 563854023 /nfs/dbraw/zinc/85/40/23/563854023.db2.gz QMELRVXFYPCNQV-UHFFFAOYSA-N 1 0 346.481 3.943 40 0 EHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000038832667 563922214 /nfs/dbraw/zinc/92/22/14/563922214.db2.gz YIQAZUHJAZIJNG-CQSZACIVSA-N 1 0 341.282 3.828 40 0 EHABRO Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038848721 563922326 /nfs/dbraw/zinc/92/23/26/563922326.db2.gz ZOCXZFNMIHBPET-IBGZPJMESA-N 1 0 340.442 3.663 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1ccccc1C ZINC000044850396 563927188 /nfs/dbraw/zinc/92/71/88/563927188.db2.gz NPPOLHNDRSKGOR-MSOLQXFVSA-N 1 0 332.488 3.533 40 0 EHABRO Cc1nc2sc3c(c2c(N2CC[NH2+]CC2)n1)CC[C@H](C(C)(C)C)C3 ZINC000013564536 563930248 /nfs/dbraw/zinc/93/02/48/563930248.db2.gz GRSYENSKLBCVKD-ZDUSSCGKSA-N 1 0 344.528 3.560 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000257279534 563968653 /nfs/dbraw/zinc/96/86/53/563968653.db2.gz OHCIOCQBQKAOMS-BXWFABGCSA-N 1 0 329.488 3.584 40 0 EHABRO O=C1N(CC2CCCCC2)C[C@]12CCC[N@@H+](CC1CC(F)(F)C1)C2 ZINC000585099643 563971395 /nfs/dbraw/zinc/97/13/95/563971395.db2.gz ULGAGRLMEOCHRF-GOSISDBHSA-N 1 0 340.458 3.536 40 0 EHABRO c1csc(CN2CCC3(CC[N@H+](Cc4ccsc4)C3)CC2)n1 ZINC000096046613 563978145 /nfs/dbraw/zinc/97/81/45/563978145.db2.gz MJIVACIKXCRIPB-UHFFFAOYSA-N 1 0 333.526 3.693 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000096047588 563978276 /nfs/dbraw/zinc/97/82/76/563978276.db2.gz PWISKJJIVVAGDI-HKUYNNGSSA-N 1 0 330.403 3.573 40 0 EHABRO O=C1CC[C@@]2(CCC[N@H+](CC3CC3)CC2)N1Cc1cccc(F)c1 ZINC000096047562 563978291 /nfs/dbraw/zinc/97/82/91/563978291.db2.gz JABYQZTYFQUUEV-HXUWFJFHSA-N 1 0 330.447 3.583 40 0 EHABRO FC1(F)CC[N@H+](Cc2ccsc2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051125 563978537 /nfs/dbraw/zinc/97/85/37/563978537.db2.gz RCIRRBSPFNUFDV-KRWDZBQOSA-N 1 0 349.450 3.881 40 0 EHABRO Fc1ccc(-c2ncnc3c2CC[N@H+](Cc2ccsc2)CC3)cc1 ZINC000096058699 563978813 /nfs/dbraw/zinc/97/88/13/563978813.db2.gz VGBHOEZUCSKODW-UHFFFAOYSA-N 1 0 339.439 3.945 40 0 EHABRO Cc1ccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)s1 ZINC000096201204 563980137 /nfs/dbraw/zinc/98/01/37/563980137.db2.gz MKPIFTFJYJGPKM-HNNXBMFYSA-N 1 0 332.517 3.670 40 0 EHABRO Fc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1 ZINC000096215377 563980210 /nfs/dbraw/zinc/98/02/10/563980210.db2.gz PILUPQWQDXMALZ-NRFANRHFSA-N 1 0 346.490 3.540 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2nccs2)C3)o1 ZINC000096215723 563980222 /nfs/dbraw/zinc/98/02/22/563980222.db2.gz BGGZDTMDHVZJEW-GOSISDBHSA-N 1 0 331.485 3.533 40 0 EHABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239573 563980542 /nfs/dbraw/zinc/98/05/42/563980542.db2.gz KWGYGWSVOKAZQB-QGZVFWFLSA-N 1 0 349.450 3.881 40 0 EHABRO CCN(C)[C@H]1C[N@H+](Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000585260980 563980777 /nfs/dbraw/zinc/98/07/77/563980777.db2.gz QCAZDRGZNDTHEG-HXUWFJFHSA-N 1 0 343.515 3.874 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)[C@H]1O ZINC000585288945 563981951 /nfs/dbraw/zinc/98/19/51/563981951.db2.gz LNTINNOXCVKLJW-DFQSSKMNSA-N 1 0 347.405 3.724 40 0 EHABRO S=C(Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000004856840 564005366 /nfs/dbraw/zinc/00/53/66/564005366.db2.gz AFWPNDFPLXLPJV-ALOPSCKCSA-N 1 0 341.480 3.762 40 0 EHABRO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCc2ccccc21 ZINC000009062735 564016571 /nfs/dbraw/zinc/01/65/71/564016571.db2.gz MLAKGUMVBMXBFL-UHFFFAOYSA-N 1 0 338.426 3.627 40 0 EHABRO Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000016758571 564024674 /nfs/dbraw/zinc/02/46/74/564024674.db2.gz OTAWLNYSOMNYQC-NRFANRHFSA-N 1 0 339.479 3.689 40 0 EHABRO CCC(CC)C(=O)N(c1ccc(F)cc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257313467 564055290 /nfs/dbraw/zinc/05/52/90/564055290.db2.gz USPQJTVLWBYJHH-GOSISDBHSA-N 1 0 348.462 3.506 40 0 EHABRO Clc1ccc(C[C@@H]2CC3(CO2)CC[NH+](Cc2ncc[nH]2)CC3)cc1 ZINC000257333393 564055586 /nfs/dbraw/zinc/05/55/86/564055586.db2.gz YBIQJXBWFMLJSG-QGZVFWFLSA-N 1 0 345.874 3.677 40 0 EHABRO c1csc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)c1 ZINC000306139513 564062305 /nfs/dbraw/zinc/06/23/05/564062305.db2.gz SZFJIVDQMYWURB-IAGOWNOFSA-N 1 0 335.476 3.916 40 0 EHABRO CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000329047240 564071863 /nfs/dbraw/zinc/07/18/63/564071863.db2.gz UFRDPROLGLNJRP-HNNXBMFYSA-N 1 0 338.499 3.969 40 0 EHABRO Fc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012668377 201860733 /nfs/dbraw/zinc/86/07/33/201860733.db2.gz RCUMALGWMUAHRX-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO Cc1ccc(C)c(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000044140385 213610166 /nfs/dbraw/zinc/61/01/66/213610166.db2.gz NDFWUXXKZPBEIV-HOTGVXAUSA-N 1 0 333.545 3.958 40 0 EHABRO CCC(CC)C(=O)N1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019500221 202008379 /nfs/dbraw/zinc/00/83/79/202008379.db2.gz YFHQVCLURJWHLK-VAMGGRTRSA-N 1 0 328.500 3.949 40 0 EHABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019564777 202011953 /nfs/dbraw/zinc/01/19/53/202011953.db2.gz MENBMEKKXXUJDA-CQSZACIVSA-N 1 0 341.436 3.796 40 0 EHABRO COc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000019570736 202012918 /nfs/dbraw/zinc/01/29/18/202012918.db2.gz MSWDTYOWLQJDBD-RBUKOAKNSA-N 1 0 333.435 3.802 40 0 EHABRO Cc1oc2ccc(O)cc2c1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000019581582 202012954 /nfs/dbraw/zinc/01/29/54/202012954.db2.gz CQUNNAWXZXCRRN-KBPBESRZSA-N 1 0 344.455 3.545 40 0 EHABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000019931478 202026842 /nfs/dbraw/zinc/02/68/42/202026842.db2.gz CZYURBYFIAVWGI-FQEVSTJZSA-N 1 0 346.515 3.699 40 0 EHABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530344 202345053 /nfs/dbraw/zinc/34/50/53/202345053.db2.gz PSKUZPOGYZMETL-DAUOMPHXSA-N 1 0 325.537 3.803 40 0 EHABRO O[C@H](C[C@@H]1CCC[C@H](C[C@H](O)c2ccccc2)[NH2+]1)c1ccccc1 ZINC000004974918 201056543 /nfs/dbraw/zinc/05/65/43/201056543.db2.gz UMXDEQATKLAHCQ-UJOPUZHASA-N 1 0 325.452 3.745 40 0 EHABRO C[NH+]1CCN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)CC1 ZINC000216840548 241212636 /nfs/dbraw/zinc/21/26/36/241212636.db2.gz NTZCCRQYHXZTDZ-UHFFFAOYSA-N 1 0 341.842 3.896 40 0 EHABRO [NH3+][C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000004202947 201593723 /nfs/dbraw/zinc/59/37/23/201593723.db2.gz JGIVCDBPSWLOBH-OAHLLOKOSA-N 1 0 336.435 3.749 40 0 EHABRO Cc1nc(C[N@@H+]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)cs1 ZINC000257223660 244192205 /nfs/dbraw/zinc/19/22/05/244192205.db2.gz DYJAYKDPGIJVIU-DZFIZOCASA-N 1 0 328.481 3.879 40 0 EHABRO Cc1cc2nc([C@H]3CCC[N@@H+](C[C@@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000072339779 203203396 /nfs/dbraw/zinc/20/33/96/203203396.db2.gz FFJUBRKZDFQDBJ-QAPCUYQASA-N 1 0 349.482 3.603 40 0 EHABRO Fc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000072359070 203205305 /nfs/dbraw/zinc/20/53/05/203205305.db2.gz RYALPRMANCDBAI-INIZCTEOSA-N 1 0 341.430 3.641 40 0 EHABRO Cc1ccccc1-c1cncc(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000072359723 203205425 /nfs/dbraw/zinc/20/54/25/203205425.db2.gz NPRPKGQSWMIFSI-UHFFFAOYSA-N 1 0 347.466 3.565 40 0 EHABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389972 203213633 /nfs/dbraw/zinc/21/36/33/203213633.db2.gz AYTNDBMTQCSXOE-MRXNPFEDSA-N 1 0 338.386 3.650 40 0 EHABRO Cc1cncc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)n1 ZINC000257271653 244380327 /nfs/dbraw/zinc/38/03/27/244380327.db2.gz MZFKMQTTXCQSKL-UHFFFAOYSA-N 1 0 333.439 3.555 40 0 EHABRO Cc1ccsc1C[N@@H+]1CC[C@@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 ZINC000257318660 244511832 /nfs/dbraw/zinc/51/18/32/244511832.db2.gz VOXLBZJAVOFWEZ-CQSZACIVSA-N 1 0 339.468 3.535 40 0 EHABRO O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1ccco1)CC2 ZINC000109753942 204291457 /nfs/dbraw/zinc/29/14/57/204291457.db2.gz DXBWMDGVTIWENM-UHFFFAOYSA-N 1 0 336.435 3.570 40 0 EHABRO Cn1cc(C[N@@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)c2ccccc21 ZINC000049169532 204369494 /nfs/dbraw/zinc/36/94/94/204369494.db2.gz CFTCKAPAUHSTCW-AWEZNQCLSA-N 1 0 348.406 3.811 40 0 biogenic,in-vitro EHABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000049170180 204370197 /nfs/dbraw/zinc/37/01/97/204370197.db2.gz GVMHMWHNXIWWMB-SFHVURJKSA-N 1 0 348.450 3.792 40 0 biogenic,in-vitro EHABRO Cc1ccc(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408611599 257894164 /nfs/dbraw/zinc/89/41/64/257894164.db2.gz UHGRKZAHYIIXBM-NRFANRHFSA-N 1 0 334.463 3.658 40 0 EHABRO COc1cccc2c1OC(C)(C)[C@H]1CC[C@H](C3CC[NH2+]CC3)O[C@H]21 ZINC000257302504 536959243 /nfs/dbraw/zinc/95/92/43/536959243.db2.gz SDDYSMBKXTUHHC-LZLYRXPVSA-N 1 0 331.456 3.702 40 0 EHABRO CC[C@H](OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000006355966 563565832 /nfs/dbraw/zinc/56/58/32/563565832.db2.gz QBKYHGIVYNYNLB-SFTDATJTSA-N 1 0 325.452 3.574 40 0 EHABRO CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000006883137 563590655 /nfs/dbraw/zinc/59/06/55/563590655.db2.gz XFZRSSNHFGPUPF-UHFFFAOYSA-N 1 0 337.822 3.919 40 0 EHABRO Cc1[nH]c2c(cccc2C(=O)NCCC[NH+]2Cc3ccccc3C2)c1C ZINC000012193347 563655898 /nfs/dbraw/zinc/65/58/98/563655898.db2.gz VARFFHUFWLHFEQ-UHFFFAOYSA-N 1 0 347.462 3.920 40 0 EHABRO Cc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3C)CC2)cc1C ZINC000012292223 563657218 /nfs/dbraw/zinc/65/72/18/563657218.db2.gz ZVKXRAMOLDELCF-OAQYLSRUSA-N 1 0 339.479 3.629 40 0 EHABRO C=Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(C)cc2)C3)c(C)n1 ZINC000012345357 563658460 /nfs/dbraw/zinc/65/84/60/563658460.db2.gz HQFFQMUCTUNDFA-WCRBZPEASA-N 1 0 337.467 3.615 40 0 EHABRO Cc1cnc(-c2nc([C@@H]3CCC[N@H+](Cc4ccccc4C)C3)no2)cn1 ZINC000019237185 563855467 /nfs/dbraw/zinc/85/54/67/563855467.db2.gz SFZRCYUQOPFDDH-QGZVFWFLSA-N 1 0 349.438 3.523 40 0 EHABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000038771411 563922062 /nfs/dbraw/zinc/92/20/62/563922062.db2.gz JUJYZSWTFAMBDP-UHFFFAOYSA-N 1 0 340.442 3.988 40 0 EHABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000038832666 563922222 /nfs/dbraw/zinc/92/22/22/563922222.db2.gz YIQAZUHJAZIJNG-AWEZNQCLSA-N 1 0 341.282 3.828 40 0 EHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000067802904 563962794 /nfs/dbraw/zinc/96/27/94/563962794.db2.gz YAPOFKJYMFEHJH-UHFFFAOYSA-N 1 0 342.842 3.968 40 0 EHABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000585104963 563971587 /nfs/dbraw/zinc/97/15/87/563971587.db2.gz MUIKJJFEXXEJKM-SFHVURJKSA-N 1 0 340.467 3.642 40 0 EHABRO c1csc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)c1 ZINC000096046942 563978022 /nfs/dbraw/zinc/97/80/22/563978022.db2.gz OGFPZOMLLGDHGQ-LJQANCHMSA-N 1 0 327.497 3.631 40 0 EHABRO Fc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)c1 ZINC000096047586 563978268 /nfs/dbraw/zinc/97/82/68/563978268.db2.gz PWGBGNBWEKZWBV-MSOLQXFVSA-N 1 0 332.444 3.733 40 0 EHABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057062 563978751 /nfs/dbraw/zinc/97/87/51/563978751.db2.gz NAOJBTKWWLSQQV-PKOBYXMFSA-N 1 0 344.480 3.593 40 0 EHABRO Cc1noc(C)c1C[NH+]1CCC2(CCCN(c3cccnc3)C2)CC1 ZINC000096071844 563979080 /nfs/dbraw/zinc/97/90/80/563979080.db2.gz YRIGGOZZBKOWBL-UHFFFAOYSA-N 1 0 340.471 3.569 40 0 EHABRO O=C(Cc1ccc(Cl)cc1)N1CCC2(C[NH+](CC3CCCC3)C2)C1 ZINC000096202435 563980161 /nfs/dbraw/zinc/98/01/61/563980161.db2.gz JQTVHOCVKYUNDF-UHFFFAOYSA-N 1 0 346.902 3.607 40 0 EHABRO COc1cccc(N[C@@H]2COC3(C2)CC[NH+](Cc2ccco2)CC3)c1 ZINC000096221389 563980426 /nfs/dbraw/zinc/98/04/26/563980426.db2.gz KQKNUOLQBTVROD-KRWDZBQOSA-N 1 0 342.439 3.524 40 0 EHABRO CC(C)C[NH+]1CCC2(C[C@H](CC(=O)N(C)C)c3ccc(F)cc32)CC1 ZINC000096241829 563980513 /nfs/dbraw/zinc/98/05/13/563980513.db2.gz QBFSCGMNJHRDKN-INIZCTEOSA-N 1 0 346.490 3.781 40 0 EHABRO Cc1cccc(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)n1 ZINC000096255338 563980637 /nfs/dbraw/zinc/98/06/37/563980637.db2.gz YEPCDDIGVSUJNV-UHFFFAOYSA-N 1 0 336.464 3.509 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2F)[C@H]1O ZINC000585290543 563982022 /nfs/dbraw/zinc/98/20/22/563982022.db2.gz XWSTXBKYRLUZIE-ILZDJORESA-N 1 0 347.405 3.724 40 0 EHABRO CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)NCc1ccccc1)C2 ZINC000004886516 564005472 /nfs/dbraw/zinc/00/54/72/564005472.db2.gz ZCVRWGSAQXHXSL-YQQQUEKLSA-N 1 0 345.556 3.692 40 0 EHABRO O=C(C[NH2+]CC1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000005000529 564005620 /nfs/dbraw/zinc/00/56/20/564005620.db2.gz LJRDXVKDSKNNFK-UHFFFAOYSA-N 1 0 330.350 3.694 40 0 EHABRO COc1ccc(/C=C/c2cccc[n+]2C)cc1Cn1nc(C)cc1C ZINC000005002341 564005685 /nfs/dbraw/zinc/00/56/85/564005685.db2.gz NTSZHIXPKQFUOO-CSKARUKUSA-N 1 0 334.443 3.552 40 0 EHABRO CCOc1cc(C=O)ccc1OCCC[N@@H+]1CCc2ccccc2C1 ZINC000008731584 564016424 /nfs/dbraw/zinc/01/64/24/564016424.db2.gz RYLNKKJXPGEZQW-UHFFFAOYSA-N 1 0 339.435 3.725 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1F ZINC000222693612 564037484 /nfs/dbraw/zinc/03/74/84/564037484.db2.gz PCBZYQGHVKPQKD-CQSZACIVSA-N 1 0 326.843 3.864 40 0 EHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCC3=CCCCC3)CC2)c1 ZINC000224528135 564043063 /nfs/dbraw/zinc/04/30/63/564043063.db2.gz GKLBBNFZTYLRSA-UHFFFAOYSA-N 1 0 326.484 3.824 40 0 EHABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225611289 564048403 /nfs/dbraw/zinc/04/84/03/564048403.db2.gz UJAMDTJTJLCSSO-FQEVSTJZSA-N 1 0 348.487 3.695 40 0 EHABRO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)n1 ZINC000257339413 564055726 /nfs/dbraw/zinc/05/57/26/564055726.db2.gz ZBPHHHOOCXCFGA-GOSISDBHSA-N 1 0 347.466 3.863 40 0 EHABRO Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257343576 564055792 /nfs/dbraw/zinc/05/57/92/564055792.db2.gz ZTNUYEYHQTUQEB-INIZCTEOSA-N 1 0 327.476 3.817 40 0 EHABRO c1cc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cs1 ZINC000306138285 564062284 /nfs/dbraw/zinc/06/22/84/564062284.db2.gz RUEIFCZMGVIEFB-ROUUACIJSA-N 1 0 335.476 3.916 40 0 EHABRO COc1ccccc1C[NH2+]CCc1cc(OC)c(C)c(C)c1OC ZINC000095726639 564072965 /nfs/dbraw/zinc/07/29/65/564072965.db2.gz VDAUMFACIMNTDA-UHFFFAOYSA-N 1 0 329.440 3.662 40 0 in-vitro EHABRO O[C@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cccs1 ZINC000247793226 564124505 /nfs/dbraw/zinc/12/45/05/564124505.db2.gz PQTUVGLKKFMAKS-XJKSGUPXSA-N 1 0 327.453 3.537 40 0 EHABRO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@@H+]2C[C@@H]2CC=CCC2)[nH]1 ZINC000247955863 564124525 /nfs/dbraw/zinc/12/45/25/564124525.db2.gz NIUJZZGJGGKOQR-CRAIPNDOSA-N 1 0 336.439 3.737 40 0 EHABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000248197127 564124557 /nfs/dbraw/zinc/12/45/57/564124557.db2.gz QVXKEBHZHCZKIR-JQHSSLGASA-N 1 0 341.499 3.986 40 0 EHABRO O=C1OC[C@@H]2CCN(Cc3ccccc3F)Cc3ccc(F)cc3N12 ZINC000225486575 564135183 /nfs/dbraw/zinc/13/51/83/564135183.db2.gz QZSHCLBOZYZPOP-INIZCTEOSA-N 1 0 344.361 3.696 40 0 biogenic,in-vitro EHABRO CC[C@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1C ZINC000095095388 564139112 /nfs/dbraw/zinc/13/91/12/564139112.db2.gz NHUVTQSIUVEJDW-LSDHHAIUSA-N 1 0 329.444 3.998 40 0 EHABRO CC[C@@H](C)Oc1c(C)cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1C ZINC000095095389 564139123 /nfs/dbraw/zinc/13/91/23/564139123.db2.gz NHUVTQSIUVEJDW-CABCVRRESA-N 1 0 329.444 3.998 40 0 EHABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000095534893 564141682 /nfs/dbraw/zinc/14/16/82/564141682.db2.gz PYUNSQUXYBPGFH-CQSZACIVSA-N 1 0 332.329 3.733 40 0 EHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccccc1F ZINC000019527187 202010125 /nfs/dbraw/zinc/01/01/25/202010125.db2.gz LKVAAVZFHDAWSA-LJQANCHMSA-N 1 0 327.447 3.707 40 0 EHABRO C[N@H+](CCn1cncc1-c1cnn(Cc2ccccc2)c1)C1CCCC1 ZINC000019719338 202016312 /nfs/dbraw/zinc/01/63/12/202016312.db2.gz AKVPEOMXFYBMMW-UHFFFAOYSA-N 1 0 349.482 3.669 40 0 EHABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc2ccccc2n1 ZINC000023247855 202100677 /nfs/dbraw/zinc/10/06/77/202100677.db2.gz RBWWQFIKZNNSNG-UHFFFAOYSA-N 1 0 325.481 3.860 40 0 EHABRO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCCCCC1 ZINC000039758355 202164154 /nfs/dbraw/zinc/16/41/54/202164154.db2.gz PLTWOVACFDLMIJ-UHFFFAOYSA-N 1 0 334.891 3.955 40 0 EHABRO COc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000255187951 201187447 /nfs/dbraw/zinc/18/74/47/201187447.db2.gz HVINDOBAFOMWHY-WKILWMFISA-N 1 0 334.460 3.621 40 0 EHABRO COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC000255189095 201188240 /nfs/dbraw/zinc/18/82/40/201188240.db2.gz NQSCDLACMAFTMI-WKILWMFISA-N 1 0 334.460 3.621 40 0 EHABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000072335289 203202437 /nfs/dbraw/zinc/20/24/37/203202437.db2.gz RVWHIDJMYMUWOP-WMZOPIPTSA-N 1 0 337.467 3.854 40 0 EHABRO Cc1cccc2[nH]c(C(=O)N3CCC[C@]4(C)[NH2+]CCCC[C@H]34)cc21 ZINC000257238078 244235530 /nfs/dbraw/zinc/23/55/30/244235530.db2.gz HJLZDCSOOGLICF-ICSRJNTNSA-N 1 0 325.456 3.613 40 0 EHABRO Fc1ccc(-c2[nH]c3ncccc3c2C[NH+]2CCSCC2)cc1 ZINC000072343202 203203539 /nfs/dbraw/zinc/20/35/39/203203539.db2.gz UUTAHVRCRYDZHU-UHFFFAOYSA-N 1 0 327.428 3.918 40 0 EHABRO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072355514 203204307 /nfs/dbraw/zinc/20/43/07/203204307.db2.gz VFQCJRQDTKIZSR-MRXNPFEDSA-N 1 0 339.487 3.908 40 0 EHABRO c1cnc(Nc2nccc([C@H]3CCC[N@H+]3CC3CCCCC3)n2)cn1 ZINC000072377845 203208452 /nfs/dbraw/zinc/20/84/52/203208452.db2.gz TXILFNLYSNFMCW-QGZVFWFLSA-N 1 0 338.459 3.727 40 0 EHABRO CC[C@H]1[C@H](O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H]1c1ccc(OC)cc1 ZINC000102063705 204030133 /nfs/dbraw/zinc/03/01/33/204030133.db2.gz WBWWKIRERSPQIP-BURNTYAHSA-N 1 0 341.451 3.867 40 0 EHABRO CCC[n+]1cc(Br)cc(-c2nc3ccc(N)cc3o2)c1 ZINC000226777899 205151955 /nfs/dbraw/zinc/15/19/55/205151955.db2.gz NQSHFKSTEFYGFN-UHFFFAOYSA-N 1 0 333.209 3.537 40 0 EHABRO Cc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008012165 210882653 /nfs/dbraw/zinc/88/26/53/210882653.db2.gz LWOQFSCFYUYYRP-OUKQBFOZSA-N 1 0 334.463 3.920 40 0 EHABRO CC[NH+](CC)C[C@H](O)C1c2ccccc2N(C(C)=O)c2ccccc21 ZINC000001600068 535591529 /nfs/dbraw/zinc/59/15/29/535591529.db2.gz ROUPDYXEIZMKLC-FQEVSTJZSA-N 1 0 338.451 3.519 40 0 EHABRO C[N@@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cccnc1 ZINC000257274472 536359335 /nfs/dbraw/zinc/35/93/35/536359335.db2.gz NLEBNLGANQNPHC-SLFFLAALSA-N 1 0 335.451 3.522 40 0 EHABRO c1ccc(Cn2nc(OCC[NH+]3CCCCC3)c3ccccc32)cc1 ZINC000001667227 563401047 /nfs/dbraw/zinc/40/10/47/563401047.db2.gz BAWYXFSIQCGHAP-UHFFFAOYSA-N 1 0 335.451 3.949 40 0 EHABRO CCSC[C@@H](COc1ccccc1C)OCC[NH+](CC)CC ZINC000001718681 563406931 /nfs/dbraw/zinc/40/69/31/563406931.db2.gz PHLFQZQNHYRWRW-QGZVFWFLSA-N 1 0 325.518 3.854 40 0 EHABRO C[C@H]1Cc2cc(C[N@H+](C)Cc3cc(=O)[nH]c4ccccc34)ccc2O1 ZINC000012188480 563655809 /nfs/dbraw/zinc/65/58/09/563655809.db2.gz JJAYGAQJJDQZDA-AWEZNQCLSA-N 1 0 334.419 3.896 40 0 EHABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CC2)CC1)C1CCCCC1 ZINC000012337239 563658574 /nfs/dbraw/zinc/65/85/74/563658574.db2.gz WEGIDFZCGANHPW-UHFFFAOYSA-N 1 0 340.511 3.879 40 0 EHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cnn(-c3ccccc3)c2)on1 ZINC000012366540 563658810 /nfs/dbraw/zinc/65/88/10/563658810.db2.gz ZMCMEQCKPFODFK-FXAWDEMLSA-N 1 0 336.439 3.670 40 0 EHABRO S=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccccc1 ZINC000046106387 563929489 /nfs/dbraw/zinc/92/94/89/563929489.db2.gz VXVSSHCAYUQYIA-UHFFFAOYSA-N 1 0 325.481 3.769 40 0 EHABRO COc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000046063532 563929503 /nfs/dbraw/zinc/92/95/03/563929503.db2.gz LFJVMABYDCJACF-UHFFFAOYSA-N 1 0 339.439 3.613 40 0 EHABRO O=C1CC[C@]2(CCC[N@H+](CC3CCCCC3)CC2)N1C[C@@H]1CCCO1 ZINC000585099828 563971425 /nfs/dbraw/zinc/97/14/25/563971425.db2.gz DFLJKYXZXWNBGM-FPOVZHCZSA-N 1 0 348.531 3.593 40 0 EHABRO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046373 563978109 /nfs/dbraw/zinc/97/81/09/563978109.db2.gz ANUFKRYZRYRWAP-BHYGNILZSA-N 1 0 329.469 3.507 40 0 EHABRO Cc1ccc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)o1 ZINC000096049314 563978391 /nfs/dbraw/zinc/97/83/91/563978391.db2.gz HISUEOSSMCDORN-UHFFFAOYSA-N 1 0 325.456 3.614 40 0 EHABRO O=C1C[C@@]2(CC[N@H+](Cc3ccsc3)C2)CN1c1cccc(F)c1 ZINC000096050714 563978494 /nfs/dbraw/zinc/97/84/94/563978494.db2.gz YOPVSXDZQAAMHC-GOSISDBHSA-N 1 0 330.428 3.516 40 0 EHABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@H]12 ZINC000096058441 563978795 /nfs/dbraw/zinc/97/87/95/563978795.db2.gz MCCIKYFKNXEUPM-VQTJNVASSA-N 1 0 340.492 3.513 40 0 EHABRO c1csc(C[NH+]2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)c1 ZINC000096106081 563979230 /nfs/dbraw/zinc/97/92/30/563979230.db2.gz OQBGMIYQGFRIKZ-QGZVFWFLSA-N 1 0 344.480 3.593 40 0 EHABRO Clc1ccc2ncc(-c3cccc(CC[C@@H]4CCC[NH2+]4)n3)n2c1 ZINC000585263076 563980909 /nfs/dbraw/zinc/98/09/09/563980909.db2.gz IVMQHWFJXVUWCW-AWEZNQCLSA-N 1 0 326.831 3.734 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCc2cccc(F)c2)[C@H]1O ZINC000585289399 563982045 /nfs/dbraw/zinc/98/20/45/563982045.db2.gz QPDDKHNOLFXTPC-CEWLAPEOSA-N 1 0 343.442 3.627 40 0 EHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000100750198 563982744 /nfs/dbraw/zinc/98/27/44/563982744.db2.gz DHPDZUDBBCOSQP-SOLBZPMBSA-N 1 0 331.504 3.653 40 0 EHABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000072369861 563990975 /nfs/dbraw/zinc/99/09/75/563990975.db2.gz SXOFTQNAYDPANS-GOSISDBHSA-N 1 0 349.434 3.777 40 0 EHABRO O=C(c1ccccc1)c1c(-c2ccccc2)n(O)c2ccccc2[n+]1=O ZINC000409415771 564012224 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FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@H+](CC4CC4)C3)n2)c1 ZINC000072369965 203209623 /nfs/dbraw/zinc/20/96/23/203209623.db2.gz ORUMRJAMFDZVNR-CYBMUJFWSA-N 1 0 337.345 3.955 40 0 EHABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072378717 203210419 /nfs/dbraw/zinc/21/04/19/203210419.db2.gz AYVKWYZDERTBTK-QGZVFWFLSA-N 1 0 325.460 3.694 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378684 203210495 /nfs/dbraw/zinc/21/04/95/203210495.db2.gz MVODCBVWAMWISG-SFHVURJKSA-N 1 0 348.450 3.656 40 0 EHABRO C=Cn1cc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4c(=O)[nH]3)C2)c(C)n1 ZINC000072361001 203206701 /nfs/dbraw/zinc/20/67/01/203206701.db2.gz NCPHHEPAEQFJEM-QGZVFWFLSA-N 1 0 348.450 3.513 40 0 EHABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390023 203213101 /nfs/dbraw/zinc/21/31/01/203213101.db2.gz HFKSSBWFECCKJH-OAHLLOKOSA-N 1 0 338.386 3.650 40 0 EHABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389992 203213254 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40 0 EHABRO O[C@@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Br)cc1 ZINC000004958171 563516305 /nfs/dbraw/zinc/51/63/05/563516305.db2.gz UBYSNAMCDWWVHX-ZQIUZPCESA-N 1 0 338.289 3.995 40 0 EHABRO Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCC[NH+](C)C)c1C ZINC000004980186 563516633 /nfs/dbraw/zinc/51/66/33/563516633.db2.gz GTCJGLXECMCTOG-UHFFFAOYSA-N 1 0 343.862 3.640 40 0 EHABRO Fc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000007464124 563602812 /nfs/dbraw/zinc/60/28/12/563602812.db2.gz WLULFBCAMIQCCL-UHFFFAOYSA-N 1 0 343.471 3.908 40 0 EHABRO CCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000008253209 563624720 /nfs/dbraw/zinc/62/47/20/563624720.db2.gz DUIONGTYQGYHLJ-UHFFFAOYSA-N 1 0 347.430 3.930 40 0 EHABRO C[NH+](C)CCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000008373878 563627875 /nfs/dbraw/zinc/62/78/75/563627875.db2.gz ORLBIJIONZCIOC-UHFFFAOYSA-N 1 0 337.261 3.750 40 0 EHABRO COc1cccc(-c2n[nH]cc2C[N@H+](C)CCOc2ccccc2)c1 ZINC000012116820 563653873 /nfs/dbraw/zinc/65/38/73/563653873.db2.gz GNBYCKMLVKADOB-UHFFFAOYSA-N 1 0 337.423 3.596 40 0 EHABRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3ccncc3)CC2)o1 ZINC000012117378 563653953 /nfs/dbraw/zinc/65/39/53/563653953.db2.gz GEOICMAHIABUSY-UHFFFAOYSA-N 1 0 341.455 3.536 40 0 EHABRO Cc1ccc(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 ZINC000012337356 563658472 /nfs/dbraw/zinc/65/84/72/563658472.db2.gz MVAIPPHBECNDJR-UHFFFAOYSA-N 1 0 349.438 3.523 40 0 EHABRO C[C@H](SCc1ccccc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000013675528 563710103 /nfs/dbraw/zinc/71/01/03/563710103.db2.gz BLWOOBLXACEVCV-KRWDZBQOSA-N 1 0 334.529 3.691 40 0 EHABRO CC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019020950 563853284 /nfs/dbraw/zinc/85/32/84/563853284.db2.gz JKYKYUTUCJTLSC-DLBZAZTESA-N 1 0 335.517 3.613 40 0 EHABRO CC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019020941 563853309 /nfs/dbraw/zinc/85/33/09/563853309.db2.gz JKYKYUTUCJTLSC-SJORKVTESA-N 1 0 335.517 3.613 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccccc2Cl)C1 ZINC000044140355 563926244 /nfs/dbraw/zinc/92/62/44/563926244.db2.gz CQRHCIKLUVEXIY-KBPBESRZSA-N 1 0 339.936 3.994 40 0 EHABRO CC1(C)[C@H](OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@]2(C)CC[C@H]1C2 ZINC000033534413 563950119 /nfs/dbraw/zinc/95/01/19/563950119.db2.gz QJAWMQQAZFJDAY-BPBCIEFSSA-N 1 0 343.511 3.637 40 0 EHABRO CCCC[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100019 563971331 /nfs/dbraw/zinc/97/13/31/563971331.db2.gz CJNCXWHGVFKGTH-SFHVURJKSA-N 1 0 335.517 3.599 40 0 EHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)cc1 ZINC000585104068 563971543 /nfs/dbraw/zinc/97/15/43/563971543.db2.gz FWMMABPWHAHUKE-IBGZPJMESA-N 1 0 340.492 3.667 40 0 EHABRO CC(C)CC[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109746 563971617 /nfs/dbraw/zinc/97/16/17/563971617.db2.gz OBBYVNCBKHYXKP-PCCBWWKXSA-N 1 0 349.478 3.628 40 0 EHABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)co1 ZINC000096057047 563978653 /nfs/dbraw/zinc/97/86/53/563978653.db2.gz ZPCCGJGMBOWHNR-WOJBJXKFSA-N 1 0 333.472 3.858 40 0 EHABRO Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2nccs2)C3)oc1C ZINC000096215824 563980283 /nfs/dbraw/zinc/98/02/83/563980283.db2.gz RHQQRZZVKRHPGO-LJQANCHMSA-N 1 0 345.512 3.841 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ccc(C)nn2)C3)cc1 ZINC000096216983 563980428 /nfs/dbraw/zinc/98/04/28/563980428.db2.gz YMCTYLTUQNNHJP-OAQYLSRUSA-N 1 0 336.483 3.586 40 0 EHABRO CCN(C)[C@@H]1C[N@H+](Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000585260978 563980765 /nfs/dbraw/zinc/98/07/65/563980765.db2.gz QCAZDRGZNDTHEG-FQEVSTJZSA-N 1 0 343.515 3.874 40 0 EHABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C(Cl)(Cl)Cl ZINC000005996883 564014423 /nfs/dbraw/zinc/01/44/23/564014423.db2.gz TXKBEKNLVROGAH-UHFFFAOYSA-N 1 0 335.662 3.981 40 0 EHABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000044933970 564024727 /nfs/dbraw/zinc/02/47/27/564024727.db2.gz ZIFSAIJUTHULLT-APWZRJJASA-N 1 0 340.442 3.915 40 0 EHABRO S=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccccc1 ZINC000224757594 564043689 /nfs/dbraw/zinc/04/36/89/564043689.db2.gz VQOODLOZDRMDFI-UHFFFAOYSA-N 1 0 325.481 3.769 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(F)cc1F ZINC000225582072 564047982 /nfs/dbraw/zinc/04/79/82/564047982.db2.gz LFOIEZYDNUAVAQ-CQSZACIVSA-N 1 0 341.471 3.906 40 0 EHABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225618990 564048492 /nfs/dbraw/zinc/04/84/92/564048492.db2.gz WJYWIKUFXCAABB-LJQANCHMSA-N 1 0 336.476 3.551 40 0 EHABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)nc1 ZINC000257285463 564054733 /nfs/dbraw/zinc/05/47/33/564054733.db2.gz PHDVMSAGMGTOKT-VSFZPWCASA-N 1 0 335.451 3.520 40 0 EHABRO CC(C)N(Cc1ccccc1)C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257287911 564054838 /nfs/dbraw/zinc/05/48/38/564054838.db2.gz PRYIEYNKALZSTG-HXUWFJFHSA-N 1 0 337.467 3.899 40 0 EHABRO CC(=O)Nc1cc(CCC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000257302708 564055111 /nfs/dbraw/zinc/05/51/11/564055111.db2.gz SDYXGRANGKDGIT-UHFFFAOYSA-N 1 0 337.467 3.885 40 0 EHABRO c1ccc(Nc2cccc(C3CC[NH+](C4CCOCC4)CC3)n2)nc1 ZINC000257308228 564055173 /nfs/dbraw/zinc/05/51/73/564055173.db2.gz TVXUGPSAFUXDQX-UHFFFAOYSA-N 1 0 338.455 3.579 40 0 EHABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)ccn1 ZINC000257332838 564055575 /nfs/dbraw/zinc/05/55/75/564055575.db2.gz XYXSTYNCVDDQMN-NRFANRHFSA-N 1 0 349.478 3.609 40 0 EHABRO Cc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329058981 564072015 /nfs/dbraw/zinc/07/20/15/564072015.db2.gz WELVROARMDTTGR-UHFFFAOYSA-N 1 0 336.483 3.863 40 0 EHABRO O=C(C[NH2+]Cc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000035313284 564081803 /nfs/dbraw/zinc/08/18/03/564081803.db2.gz SCHGQEFWKIQEBD-UHFFFAOYSA-N 1 0 341.411 3.678 40 0 EHABRO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000035446708 564083553 /nfs/dbraw/zinc/08/35/53/564083553.db2.gz KVWJTRORNYPPEJ-NSHDSACASA-N 1 0 339.361 3.550 40 0 biogenic,in-vitro EHABRO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044912765 564128551 /nfs/dbraw/zinc/12/85/51/564128551.db2.gz BAKGSSKRDQSLGS-PXNSSMCTSA-N 1 0 334.463 3.876 40 0 EHABRO C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccco2)[C@H]1c1cccs1 ZINC000110619648 564133679 /nfs/dbraw/zinc/13/36/79/564133679.db2.gz OLGQEWYLKUJKMS-KGYPOUGPSA-N 1 0 330.453 3.554 40 0 EHABRO Cc1ccc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096269372 564146217 /nfs/dbraw/zinc/14/62/17/564146217.db2.gz ZODFQFFVGHAXBM-IBGZPJMESA-N 1 0 333.435 3.547 40 0 biogenic,in-vitro EHABRO CC(C)c1ccccc1OCCOC[C@@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000004279095 210159624 /nfs/dbraw/zinc/15/96/24/210159624.db2.gz YXDQQRCSNQVCON-QRVBRYPASA-N 1 0 349.515 3.829 40 0 EHABRO O=C(CSCc1ccccc1Cl)NCCC[NH+]1CCCCC1 ZINC000013668122 201906974 /nfs/dbraw/zinc/90/69/74/201906974.db2.gz IJYBQIHSOJABOF-UHFFFAOYSA-N 1 0 340.920 3.565 40 0 EHABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(C)cc(C)c1 ZINC000008254560 291000658 /nfs/dbraw/zinc/00/06/58/291000658.db2.gz REDLAXLXLHLQSW-XYJFISCASA-N 1 0 331.529 3.710 40 0 biogenic,in-vitro EHABRO O=C1NC2(C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)Nc2ccccc21 ZINC000019371576 202005136 /nfs/dbraw/zinc/00/51/36/202005136.db2.gz PAMHMYVZZKNTPU-VSOVRNOCSA-N 1 0 347.462 3.755 40 0 EHABRO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c1 ZINC000019565513 202010943 /nfs/dbraw/zinc/01/09/43/202010943.db2.gz FWGNECKJYITCHE-VQTJNVASSA-N 1 0 333.435 3.802 40 0 EHABRO C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C=O)ccc21 ZINC000034007292 202271397 /nfs/dbraw/zinc/27/13/97/202271397.db2.gz GRNCGIVYWGYYLT-HXUWFJFHSA-N 1 0 327.399 3.754 40 0 in-vitro EHABRO O[C@@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cccs1 ZINC000036743841 202330684 /nfs/dbraw/zinc/33/06/84/202330684.db2.gz PQTUVGLKKFMAKS-BBRMVZONSA-N 1 0 327.453 3.537 40 0 EHABRO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2CN(C)C)s1 ZINC000257224235 244194334 /nfs/dbraw/zinc/19/43/34/244194334.db2.gz FAXKKRMKFMQBHK-KRWDZBQOSA-N 1 0 330.501 3.554 40 0 EHABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257242144 244247791 /nfs/dbraw/zinc/24/77/91/244247791.db2.gz IBGXDFCUOJGZFP-QGZVFWFLSA-N 1 0 333.439 3.555 40 0 EHABRO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@@H+]3C3CCCC3)n2)n1 ZINC000072376194 203209687 /nfs/dbraw/zinc/20/96/87/203209687.db2.gz GMZQYAHVBRLGTN-QGZVFWFLSA-N 1 0 338.459 3.707 40 0 EHABRO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257234600 244223048 /nfs/dbraw/zinc/22/30/48/244223048.db2.gz GUHVOPZEEQFZNL-INIZCTEOSA-N 1 0 339.468 3.882 40 0 EHABRO Fc1cccc(C[C@@H]2CC3(CO2)CC[NH+](Cc2ccccn2)CC3)c1 ZINC000257237971 244235700 /nfs/dbraw/zinc/23/57/00/244235700.db2.gz HJAZOTILPBYWIL-HXUWFJFHSA-N 1 0 340.442 3.835 40 0 EHABRO C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NC2(C)CCC2)C1 ZINC000072352600 203205434 /nfs/dbraw/zinc/20/54/34/203205434.db2.gz IDWRRYXNOQIPFU-CYBMUJFWSA-N 1 0 328.481 3.993 40 0 EHABRO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257259902 244293964 /nfs/dbraw/zinc/29/39/64/244293964.db2.gz LAPHRQSGFRGQMO-QGZVFWFLSA-N 1 0 334.467 3.650 40 0 EHABRO c1cnc(Nc2ccc([C@@H]3CCCC[N@H+]3Cc3ccncc3)cn2)cn1 ZINC000257248463 244262248 /nfs/dbraw/zinc/26/22/48/244262248.db2.gz JDTQCXTZZQRYMS-SFHVURJKSA-N 1 0 346.438 3.737 40 0 EHABRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1cccs1 ZINC000072392388 203213089 /nfs/dbraw/zinc/21/30/89/203213089.db2.gz VYGLHJCVTGZZOH-CYBMUJFWSA-N 1 0 335.436 3.704 40 0 EHABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389945 203214115 /nfs/dbraw/zinc/21/41/15/203214115.db2.gz DSOYQMFWYPKGQE-INIZCTEOSA-N 1 0 338.386 3.650 40 0 EHABRO CC(C)(C)OC(=O)N1CCC([NH3+])(c2ccc(C(F)(F)F)cc2)CC1 ZINC000096029459 203796567 /nfs/dbraw/zinc/79/65/67/203796567.db2.gz ZSDOOJSYJOYLRI-UHFFFAOYSA-N 1 0 344.377 3.890 40 0 EHABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000049170082 204369551 /nfs/dbraw/zinc/36/95/51/204369551.db2.gz DNTVRFLZNOVSHU-KRWDZBQOSA-N 1 0 335.407 3.735 40 0 biogenic,in-vitro EHABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000226170414 205114931 /nfs/dbraw/zinc/11/49/31/205114931.db2.gz OKDQYRMAQYYREX-CMKODMSKSA-N 1 0 349.515 3.829 40 0 EHABRO CCOc1cccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225729627 535470104 /nfs/dbraw/zinc/47/01/04/535470104.db2.gz ZATFVQHRZMIHSS-IYBDPMFKSA-N 1 0 349.544 3.740 40 0 EHABRO CCOc1ccc(CN(CC[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000001602382 563396113 /nfs/dbraw/zinc/39/61/13/563396113.db2.gz UUVLBFFOOKLTGS-UHFFFAOYSA-N 1 0 339.483 3.973 40 0 EHABRO C[C@H]1C[C@@H](OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC(C)(C)C1 ZINC000005073900 563520923 /nfs/dbraw/zinc/52/09/23/563520923.db2.gz QUUUPSHLTILKRI-PWIZWCRZSA-N 1 0 331.500 3.637 40 0 EHABRO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OC ZINC000008469804 563630999 /nfs/dbraw/zinc/63/09/99/563630999.db2.gz GISDRBLAHRIIPR-UHFFFAOYSA-N 1 0 328.250 3.889 40 0 EHABRO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012119061 563653838 /nfs/dbraw/zinc/65/38/38/563653838.db2.gz OYQVAVKSYBRXCY-HNNXBMFYSA-N 1 0 326.371 3.571 40 0 EHABRO Cc1ccc(CN(Cc2c[nH]cn2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116742 563653969 /nfs/dbraw/zinc/65/39/69/563653969.db2.gz MJUOWHFFHDWKFN-UHFFFAOYSA-N 1 0 330.476 3.623 40 0 EHABRO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4CCC[C@@H](C)C4)n3)cc2)n1 ZINC000012337088 563658445 /nfs/dbraw/zinc/65/84/45/563658445.db2.gz OZXNVKOWPCMQHY-CQSZACIVSA-N 1 0 349.438 3.734 40 0 EHABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000044933962 563928408 /nfs/dbraw/zinc/92/84/08/563928408.db2.gz ZIFSAIJUTHULLT-QFBILLFUSA-N 1 0 340.442 3.915 40 0 EHABRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096049331 563978419 /nfs/dbraw/zinc/97/84/19/563978419.db2.gz QJQKUNNMBBBTAP-UHFFFAOYSA-N 1 0 342.414 3.690 40 0 EHABRO CN1Cc2ccccc2CC2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000096063608 563979008 /nfs/dbraw/zinc/97/90/08/563979008.db2.gz MRDAHVNOVSSPFV-UHFFFAOYSA-N 1 0 340.492 3.545 40 0 EHABRO Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(C)C)C3)c1 ZINC000096071573 563979048 /nfs/dbraw/zinc/97/90/48/563979048.db2.gz BOKLOVKPGPLQEP-HXUWFJFHSA-N 1 0 329.488 3.971 40 0 EHABRO O=C1N(c2cccnc2)c2ccccc2C12CC[NH+](CC1CC1)CC2 ZINC000096078907 563979143 /nfs/dbraw/zinc/97/91/43/563979143.db2.gz KTMUMDTYUXVRMG-UHFFFAOYSA-N 1 0 333.435 3.504 40 0 EHABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096100321 563979239 /nfs/dbraw/zinc/97/92/39/563979239.db2.gz WQHPJIHCTQCVBD-HXUWFJFHSA-N 1 0 338.476 3.648 40 0 EHABRO c1ccc(C[C@H]2C[N@H+](C3CCOCC3)CC[C@@H]2OCC2CC2)cc1 ZINC000096206260 563980173 /nfs/dbraw/zinc/98/01/73/563980173.db2.gz HNLFCIXVNKRYSE-FPOVZHCZSA-N 1 0 329.484 3.525 40 0 EHABRO Fc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)c1 ZINC000096215807 563980195 /nfs/dbraw/zinc/98/01/95/563980195.db2.gz WILAZDUQWKHPQA-IBGZPJMESA-N 1 0 345.487 3.770 40 0 EHABRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](CC1CCC1)CC2 ZINC000096244753 563980568 /nfs/dbraw/zinc/98/05/68/563980568.db2.gz JZOPYLGYZBTATA-FQEVSTJZSA-N 1 0 338.495 3.862 40 0 EHABRO Cc1ccccc1C[NH+]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]2C1 ZINC000096245609 563980610 /nfs/dbraw/zinc/98/06/10/563980610.db2.gz QKGRBCJZEXVWIU-RTBURBONSA-N 1 0 335.451 3.591 40 0 EHABRO CC(C)CC(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000005817248 564014279 /nfs/dbraw/zinc/01/42/79/564014279.db2.gz RAQNBAXQERJOPE-UHFFFAOYSA-N 1 0 333.501 3.532 40 0 EHABRO O=C(COc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000005996863 564014362 /nfs/dbraw/zinc/01/43/62/564014362.db2.gz QZYDCWIINVHEJJ-UHFFFAOYSA-N 1 0 344.842 3.953 40 0 EHABRO CCOCCC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000008253180 564016003 /nfs/dbraw/zinc/01/60/03/564016003.db2.gz QAUHDDLBIXTDJX-UHFFFAOYSA-N 1 0 335.469 3.852 40 0 EHABRO C[NH+](C)CCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000008373846 564016181 /nfs/dbraw/zinc/01/61/81/564016181.db2.gz XXLMHDLPDCEKMM-UHFFFAOYSA-N 1 0 332.875 3.960 40 0 EHABRO CC1CC[NH+](CCCNC(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000010113688 564017096 /nfs/dbraw/zinc/01/70/96/564017096.db2.gz MNRSUNPSZZSVTL-UHFFFAOYSA-N 1 0 343.515 3.529 40 0 EHABRO O=C(NCc1ccccc1)c1cc[n+](Cc2ccc(Cl)cc2)cc1 ZINC000002684610 564025965 /nfs/dbraw/zinc/02/59/65/564025965.db2.gz CVADENUMTRVKTL-UHFFFAOYSA-O 1 0 337.830 3.606 40 0 EHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1F ZINC000224646303 564043365 /nfs/dbraw/zinc/04/33/65/564043365.db2.gz HWNCYFYKUYDQPH-UHFFFAOYSA-N 1 0 326.415 3.742 40 0 EHABRO Cc1nc(COCC[C@@H]2C[N@@H+](C3CCCC3)Cc3ccnn32)cs1 ZINC000248034269 564052941 /nfs/dbraw/zinc/05/29/41/564052941.db2.gz MXLTXBXUZHJFPC-GOSISDBHSA-N 1 0 346.500 3.554 40 0 EHABRO CN(C)c1cc([C@H]2CCCN2C(=O)/C=C/c2cccs2)ccn1 ZINC000257286592 564054767 /nfs/dbraw/zinc/05/47/67/564054767.db2.gz PMEDUJKEIWKFIP-KXPUMZMLSA-N 1 0 327.453 3.586 40 0 EHABRO c1cc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cs1 ZINC000306138283 564062300 /nfs/dbraw/zinc/06/23/00/564062300.db2.gz RUEIFCZMGVIEFB-MSOLQXFVSA-N 1 0 335.476 3.916 40 0 EHABRO Clc1ncccc1-c1noc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000253492699 564124628 /nfs/dbraw/zinc/12/46/28/564124628.db2.gz QVJFQLVCYIEWOD-TZMCWYRMSA-N 1 0 332.835 3.940 40 0 EHABRO Cc1ccc(-c2ncc(CN3CC[C@@H]4[NH2+]CCCCC[C@H]43)cn2)cc1 ZINC000019712147 564128044 /nfs/dbraw/zinc/12/80/44/564128044.db2.gz FINVJQDPUFNKKB-VQTJNVASSA-N 1 0 336.483 3.559 40 0 EHABRO CCOCCC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007540091 201723195 /nfs/dbraw/zinc/72/31/95/201723195.db2.gz OVKVYSWWXGJUAZ-UHFFFAOYSA-N 1 0 343.467 3.833 40 0 EHABRO Fc1cccc(F)c1Cn1cccc2cc([C@H]3CCC[NH2+]C3)nc1-2 ZINC000012337669 201839419 /nfs/dbraw/zinc/83/94/19/201839419.db2.gz PLOFMXVKDUQHKV-AWEZNQCLSA-N 1 0 327.378 3.781 40 0 EHABRO Cc1cccc(C2(O)CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)c1 ZINC000019234519 202001505 /nfs/dbraw/zinc/00/15/05/202001505.db2.gz RJQBDYMQTMBELW-UHFFFAOYSA-N 1 0 347.462 3.664 40 0 EHABRO c1ccc(Nc2cc(-c3ccccn3)nc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000019373264 202007249 /nfs/dbraw/zinc/00/72/49/202007249.db2.gz GNOHCKVCFPRJIX-OAHLLOKOSA-N 1 0 331.423 3.749 40 0 EHABRO COc1ccc2nc(C[N@H+]3[C@@H]4CC[C@H]3Cc3ncccc34)ccc2c1 ZINC000019563654 202012067 /nfs/dbraw/zinc/01/20/67/202012067.db2.gz KGHKFRJKRONLDE-HRAATJIYSA-N 1 0 331.419 3.900 40 0 EHABRO Cc1noc(C)c1CC(=O)Nc1cccc(C[NH+]2CCCCCC2)c1 ZINC000019580536 202013074 /nfs/dbraw/zinc/01/30/74/202013074.db2.gz RZCXRWPFPYAJDQ-UHFFFAOYSA-N 1 0 341.455 3.849 40 0 EHABRO CC[C@H](C[NH+]1CCOCC1)n1cncc1-c1[nH]c2ccccc2c1C ZINC000019719636 202016761 /nfs/dbraw/zinc/01/67/61/202016761.db2.gz DAAUTIIIHGLSRX-MRXNPFEDSA-N 1 0 338.455 3.623 40 0 EHABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000020482416 202044939 /nfs/dbraw/zinc/04/49/39/202044939.db2.gz ZJCOGXHJOUUZMF-INIZCTEOSA-N 1 0 338.451 3.782 40 0 EHABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000022533483 202087377 /nfs/dbraw/zinc/08/73/77/202087377.db2.gz BKHHYLNBPAUVPD-IBGZPJMESA-N 1 0 332.488 3.535 40 0 EHABRO CCSC1(SCC)C(=O)OC2=C(CCCCC2)[C@@H]1[NH+](C)C ZINC000031759749 202209938 /nfs/dbraw/zinc/20/99/38/202209938.db2.gz CCUKNXILYRZVMB-AWEZNQCLSA-N 1 0 329.531 3.894 40 0 EHABRO CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032461993 202225679 /nfs/dbraw/zinc/22/56/79/202225679.db2.gz CRQDVLAPDRFHKK-UHFFFAOYSA-N 1 0 338.451 3.611 40 0 EHABRO CCc1ccc([C@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)N(C)C)cc1 ZINC000023805461 212396011 /nfs/dbraw/zinc/39/60/11/212396011.db2.gz CXZWGUBSCBLBEN-QFIPXVFZSA-N 1 0 348.494 3.827 40 0 EHABRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000225901943 242074845 /nfs/dbraw/zinc/07/48/45/242074845.db2.gz MWXLLMQBDZNZJB-KRWDZBQOSA-N 1 0 326.415 3.701 40 0 EHABRO CC(C)[NH+](CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C ZINC000001707020 201517703 /nfs/dbraw/zinc/51/77/03/201517703.db2.gz KNIVGGRCJWRCDV-UHFFFAOYSA-N 1 0 338.495 3.967 40 0 in-vitro EHABRO FC(F)(F)c1cc(N2CCC[NH2+]CC2)c2cccc(Cl)c2n1 ZINC000002506861 201534340 /nfs/dbraw/zinc/53/43/40/201534340.db2.gz HLGYKCYPLDZBCH-UHFFFAOYSA-N 1 0 329.753 3.707 40 0 EHABRO CC[NH+](CC)CCSC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000006382332 201680658 /nfs/dbraw/zinc/68/06/58/201680658.db2.gz ASMYRLFGSFSFLJ-LJQANCHMSA-N 1 0 335.513 3.666 40 0 EHABRO Clc1ccccc1-c1nn(-c2ccccc2)[n+](-c2ccccc2)n1 ZINC000255190259 244048306 /nfs/dbraw/zinc/04/83/06/244048306.db2.gz VYKSEEXOZXOTQJ-UHFFFAOYSA-N 1 0 333.802 3.864 40 0 EHABRO COc1ccc(CC[NH2+]Cc2cn(C3CCCC3)nc2C)cc1OC ZINC000256054116 244066156 /nfs/dbraw/zinc/06/61/56/244066156.db2.gz UZHAVWUANHRYOL-UHFFFAOYSA-N 1 0 343.471 3.656 40 0 EHABRO C=Cn1cc(C[N@@H+]2CCC[C@H](c3cc4ccccc4c(=O)[nH]3)C2)c(C)n1 ZINC000072361000 203206081 /nfs/dbraw/zinc/20/60/81/203206081.db2.gz NCPHHEPAEQFJEM-KRWDZBQOSA-N 1 0 348.450 3.513 40 0 EHABRO CNC(=O)C1(CCCc2ccccn2)CC[NH+](C2CCCCC2)CC1 ZINC000072367232 203207158 /nfs/dbraw/zinc/20/71/58/203207158.db2.gz BNDCITIWOKEUJD-UHFFFAOYSA-N 1 0 343.515 3.565 40 0 EHABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)cc1CO ZINC000257241815 244245095 /nfs/dbraw/zinc/24/50/95/244245095.db2.gz HZSNBDRMFUDUQA-HXUWFJFHSA-N 1 0 340.467 3.570 40 0 EHABRO Cc1cncc(C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)n1 ZINC000257251883 244271501 /nfs/dbraw/zinc/27/15/01/244271501.db2.gz JSRRJKVLBFXHDA-UHFFFAOYSA-N 1 0 336.483 3.765 40 0 EHABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccc(C)cc3)cc2)CCC[NH2+]C1 ZINC000072391898 203213157 /nfs/dbraw/zinc/21/31/57/203213157.db2.gz HXEAGXKDQBUGNN-QFIPXVFZSA-N 1 0 336.479 3.710 40 0 EHABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389991 203213567 /nfs/dbraw/zinc/21/35/67/203213567.db2.gz XYCKBOTURIGAPV-SFHVURJKSA-N 1 0 334.423 3.820 40 0 EHABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389971 203213772 /nfs/dbraw/zinc/21/37/72/203213772.db2.gz AYTNDBMTQCSXOE-INIZCTEOSA-N 1 0 338.386 3.650 40 0 EHABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257267222 244363997 /nfs/dbraw/zinc/36/39/97/244363997.db2.gz MGLCVMFBXGWVGC-CQSZACIVSA-N 1 0 339.468 3.616 40 0 EHABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000257264161 244355786 /nfs/dbraw/zinc/35/57/86/244355786.db2.gz LTEFHVCQBQVKFY-LJQANCHMSA-N 1 0 338.499 3.708 40 0 EHABRO C[NH2+][C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2ccc(C)cc2)[C@@H]1O ZINC000257263634 536366700 /nfs/dbraw/zinc/36/67/00/536366700.db2.gz LQUSCPIWKKHNBB-YVWKXTFCSA-N 1 0 345.414 3.807 40 0 EHABRO COc1c2c(cc3c1[C@H](CCCc1ccccc1)[N@H+](C)CC3)OCO2 ZINC000001580883 563393852 /nfs/dbraw/zinc/39/38/52/563393852.db2.gz NGWNBLVYNIGAGH-KRWDZBQOSA-N 1 0 339.435 3.976 40 0 EHABRO CC[C@H](OC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000002694626 563445887 /nfs/dbraw/zinc/44/58/87/563445887.db2.gz QBKYHGIVYNYNLB-RTWAWAEBSA-N 1 0 325.452 3.574 40 0 EHABRO O[C@@H]1Cc2cc(Cl)ccc2C(=C2CC[NH2+]CC2)c2ncccc21 ZINC000003784060 563487933 /nfs/dbraw/zinc/48/79/33/563487933.db2.gz LWCSUGDLKORNAJ-QGZVFWFLSA-N 1 0 326.827 3.510 40 0 in-vitro EHABRO COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2ccncc2C)c1 ZINC000012085298 563653157 /nfs/dbraw/zinc/65/31/57/563653157.db2.gz IEMFLXBMDNLARJ-CDXJDZJCSA-N 1 0 338.451 3.831 40 0 EHABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2ccc(F)cc21 ZINC000012113647 563653555 /nfs/dbraw/zinc/65/35/55/563653555.db2.gz BWFKZMZYLHSPGZ-UHFFFAOYSA-N 1 0 325.383 3.826 40 0 EHABRO Fc1cccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c1 ZINC000012668415 563667500 /nfs/dbraw/zinc/66/75/00/563667500.db2.gz CIXGSSHLNKGHEX-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO Cc1nn(C[NH+](CC(C)C)CC(C)C)c2nc3ccccc3nc12 ZINC000016266456 563807049 /nfs/dbraw/zinc/80/70/49/563807049.db2.gz XAXFFEVWCNAIGQ-UHFFFAOYSA-N 1 0 325.460 3.859 40 0 EHABRO FC(F)(F)c1cc(N2CC[NH2+]CC2)c2cccc(C(F)(F)F)c2n1 ZINC000019721416 563856486 /nfs/dbraw/zinc/85/64/86/563856486.db2.gz MIGQWBMOCOHDID-UHFFFAOYSA-N 1 0 349.278 3.682 40 0 EHABRO O=C(Nc1c(F)cccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039757478 563901124 /nfs/dbraw/zinc/90/11/24/563901124.db2.gz QFMNSXHRRIBYIB-UHFFFAOYSA-N 1 0 330.378 3.816 40 0 EHABRO COc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038834187 563922333 /nfs/dbraw/zinc/92/23/33/563922333.db2.gz WBCKPQSDMVWFQH-MRXNPFEDSA-N 1 0 342.414 3.685 40 0 EHABRO CCOc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834271 563922389 /nfs/dbraw/zinc/92/23/89/563922389.db2.gz QGKRTJXLBHSKIU-SFHVURJKSA-N 1 0 338.451 3.936 40 0 EHABRO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@@H+]4C)CC3)oc21 ZINC000585099976 563971471 /nfs/dbraw/zinc/97/14/71/563971471.db2.gz BUTAKFOHVOQPSV-FQEVSTJZSA-N 1 0 342.439 3.532 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)o1 ZINC000585105533 563971569 /nfs/dbraw/zinc/97/15/69/563971569.db2.gz ZAFDSONAZNVXHE-SFHVURJKSA-N 1 0 333.472 3.776 40 0 EHABRO CC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(C)o3)[C@H]2C1 ZINC000585109717 563971631 /nfs/dbraw/zinc/97/16/31/563971631.db2.gz LHQCMVDYADQNEO-VYVMZURQSA-N 1 0 338.451 3.887 40 0 EHABRO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCOC[C@H]21 ZINC000095951565 563977851 /nfs/dbraw/zinc/97/78/51/563977851.db2.gz OTTGOHHGLRLZIS-QEMXTEJRSA-N 1 0 335.447 3.821 40 0 EHABRO Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccco3)[C@@H]2C1 ZINC000096054580 563978745 /nfs/dbraw/zinc/97/87/45/563978745.db2.gz QBOZYILEXJSWSU-CGTJXYLNSA-N 1 0 342.439 3.554 40 0 EHABRO Clc1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1 ZINC000002169663 563996451 /nfs/dbraw/zinc/99/64/51/563996451.db2.gz MENNODCZKYSQQN-UHFFFAOYSA-N 1 0 333.802 3.864 40 0 EHABRO COc1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000009062999 564016567 /nfs/dbraw/zinc/01/65/67/564016567.db2.gz ZFNHHMYUFXGMGX-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO COc1cc2c(NC(C)=O)c(C[NH+](C)C)oc2c(Cl)c1Cl ZINC000005291440 564031923 /nfs/dbraw/zinc/03/19/23/564031923.db2.gz JFBMCJWYSXYEKA-UHFFFAOYSA-N 1 0 331.199 3.768 40 0 EHABRO O=C(NCC1CCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224552193 564043107 /nfs/dbraw/zinc/04/31/07/564043107.db2.gz NYMVSJNABLZRDA-UHFFFAOYSA-N 1 0 332.463 3.734 40 0 EHABRO CC1CC[NH+](CCCNC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000225189243 564045348 /nfs/dbraw/zinc/04/53/48/564045348.db2.gz XDDVWZIQUAXKFQ-UHFFFAOYSA-N 1 0 328.500 3.737 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)cc1 ZINC000225580889 564048018 /nfs/dbraw/zinc/04/80/18/564048018.db2.gz VULUDCVZCRWCDI-MRXNPFEDSA-N 1 0 335.517 3.636 40 0 EHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)s1 ZINC000248119201 564052996 /nfs/dbraw/zinc/05/29/96/564052996.db2.gz ULHVZKGBOYPKKL-KBAYOESNSA-N 1 0 344.480 3.510 40 0 EHABRO Cn1cc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)cn1 ZINC000257297567 564054969 /nfs/dbraw/zinc/05/49/69/564054969.db2.gz RHVMCEABPINEJQ-HXUWFJFHSA-N 1 0 333.439 3.604 40 0 EHABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)CCc2cccs2)ccn1 ZINC000257308730 564055207 /nfs/dbraw/zinc/05/52/07/564055207.db2.gz TXWZPEJFBKQRMD-GOSISDBHSA-N 1 0 343.496 3.501 40 0 EHABRO COc1ccc2[nH]c(C[N@@H+]3CC[C@H](c4nc(C)cc(C)n4)C3)cc2c1 ZINC000257327623 564055475 /nfs/dbraw/zinc/05/54/75/564055475.db2.gz XCBVSSNSDNFRNE-HNNXBMFYSA-N 1 0 336.439 3.573 40 0 EHABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccco4)C2)C3)cc1 ZINC000306132153 564062189 /nfs/dbraw/zinc/06/21/89/564062189.db2.gz LACJGGGCLAIBRS-FQEVSTJZSA-N 1 0 337.398 3.731 40 0 EHABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)s1 ZINC000306143340 564062410 /nfs/dbraw/zinc/06/24/10/564062410.db2.gz XZQWBHARQRYLHK-NVXWUHKLSA-N 1 0 336.464 3.544 40 0 EHABRO C[N@@H+]1CC[C@]2(CCN(Cc3cc(C(F)(F)F)ccc3Cl)C2)C1 ZINC000063527707 564066349 /nfs/dbraw/zinc/06/63/49/564066349.db2.gz ZFMDNVTZAQBDKQ-HNNXBMFYSA-N 1 0 332.797 3.886 40 0 EHABRO CCC(=O)c1ccc(OC[C@H](O)C[N@@H+](CC)C2CCCCC2)cc1 ZINC000016739469 564085473 /nfs/dbraw/zinc/08/54/73/564085473.db2.gz NZZGMYGYXVRAOT-GOSISDBHSA-N 1 0 333.472 3.674 40 0 EHABRO O[C@H](C[N@@H+]1CCC[C@@H](COc2ccccc2F)C1)c1cccs1 ZINC000019350255 564127941 /nfs/dbraw/zinc/12/79/41/564127941.db2.gz QCNGGSIXHAHXHM-GDBMZVCRSA-N 1 0 335.444 3.712 40 0 EHABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832853 564128475 /nfs/dbraw/zinc/12/84/75/564128475.db2.gz TZJGCXIBJFIDOF-LPHOPBHVSA-N 1 0 340.442 3.915 40 0 EHABRO Clc1ccc(C[NH+]2CCC(n3cnc4cccnc43)CC2)cc1 ZINC000019346666 202005094 /nfs/dbraw/zinc/00/50/94/202005094.db2.gz YPCQAPVMRRFLOJ-UHFFFAOYSA-N 1 0 326.831 3.922 40 0 EHABRO C[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C ZINC000019463441 202009282 /nfs/dbraw/zinc/00/92/82/202009282.db2.gz LIADLCRLGJFXFF-OITRIXBGSA-N 1 0 344.474 3.651 40 0 EHABRO CC[NH+]1CCN(Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000019528210 202010094 /nfs/dbraw/zinc/01/00/94/202010094.db2.gz SVMJWFLIAPBRJG-UHFFFAOYSA-N 1 0 338.430 3.507 40 0 EHABRO C[NH+](C)CCCN(Cc1ccc2ncccc2c1)Cc1ccccn1 ZINC000019582191 202012330 /nfs/dbraw/zinc/01/23/30/202012330.db2.gz PPFXHRIRSYJPED-UHFFFAOYSA-N 1 0 334.467 3.584 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000039747634 202162765 /nfs/dbraw/zinc/16/27/65/202162765.db2.gz XHSJACBFNGXGHA-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cccc(OC)c1 ZINC000022931710 212335587 /nfs/dbraw/zinc/33/55/87/212335587.db2.gz WLHMTSYCPYGBGW-HXUWFJFHSA-N 1 0 339.483 3.577 40 0 EHABRO Clc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]C4)n3n2)c(Cl)c1 ZINC000217561424 241259276 /nfs/dbraw/zinc/25/92/76/241259276.db2.gz YQHRCHKPPFDSPY-JTQLQIEISA-N 1 0 348.237 3.565 40 0 EHABRO CC[C@@]12CCC[NH2+][C@H]1c1c3ccccc3n(C)c1[C@H](C(=O)OC)C2 ZINC000005500003 201653862 /nfs/dbraw/zinc/65/38/62/201653862.db2.gz BOUCDMYOGZRXRQ-WNYOCNMUSA-N 1 0 326.440 3.660 40 0 EHABRO Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 ZINC000257226931 244204288 /nfs/dbraw/zinc/20/42/88/244204288.db2.gz FMTXBGRMBXFLDP-QGZVFWFLSA-N 1 0 338.386 3.544 40 0 EHABRO CC(C)C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000072371202 203209222 /nfs/dbraw/zinc/20/92/22/203209222.db2.gz FFLBVYXJAGIVDL-CQSZACIVSA-N 1 0 349.425 3.755 40 0 EHABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3nccc4ccccc43)C2)c1 ZINC000257244332 244253992 /nfs/dbraw/zinc/25/39/92/244253992.db2.gz IKVDIYDLLLOMBJ-INIZCTEOSA-N 1 0 346.434 3.610 40 0 EHABRO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)on1 ZINC000072334674 203201851 /nfs/dbraw/zinc/20/18/51/203201851.db2.gz UGOFIKZCMWTORM-QGZVFWFLSA-N 1 0 349.438 3.523 40 0 EHABRO CC(C)(C)c1[nH]c2ncccc2c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000072393642 203214061 /nfs/dbraw/zinc/21/40/61/203214061.db2.gz SYCQOPTYMGTNAF-OAHLLOKOSA-N 1 0 326.488 3.531 40 0 EHABRO CC(C)n1cc(-c2cncc(CC3CC[NH+](C(C)C)CC3)n2)cn1 ZINC000257263170 244352410 /nfs/dbraw/zinc/35/24/10/244352410.db2.gz LOSFYNFUMREOIT-UHFFFAOYSA-N 1 0 327.476 3.584 40 0 EHABRO O=C(CC1CCCC1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257263910 244355477 /nfs/dbraw/zinc/35/54/77/244355477.db2.gz LRZAWVXOEVFNSS-IBGZPJMESA-N 1 0 342.483 3.511 40 0 EHABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2ccccc2Cl)CC1 ZINC000096029446 203797372 /nfs/dbraw/zinc/79/73/72/203797372.db2.gz IKLAELDFLCNPJE-UHFFFAOYSA-N 1 0 338.879 3.859 40 0 EHABRO Clc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccncc4)C3)o2)cc1 ZINC000049169440 204370350 /nfs/dbraw/zinc/37/03/50/204370350.db2.gz ZPNRCKMRFJHMSI-HNNXBMFYSA-N 1 0 340.814 3.775 40 0 biogenic,in-vitro EHABRO CCC[n+]1cc(Br)cc(-c2nc3cc(N)ccc3o2)c1 ZINC000226778072 205152121 /nfs/dbraw/zinc/15/21/21/205152121.db2.gz FEKVUVXTVBWNEM-UHFFFAOYSA-N 1 0 333.209 3.537 40 0 EHABRO c1csc(-c2cnc3n2CC[C@]32CC[N@@H+](Cc3ccccn3)C2)c1 ZINC000306133481 257921702 /nfs/dbraw/zinc/92/17/02/257921702.db2.gz MMXWELIBPRNKBS-IBGZPJMESA-N 1 0 336.464 3.554 40 0 EHABRO CCOc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000225727292 535750096 /nfs/dbraw/zinc/75/00/96/535750096.db2.gz NUFXVNCOOQCCKE-HOTGVXAUSA-N 1 0 349.544 3.740 40 0 EHABRO C[N@H+]1CC(=Cc2ccccc2)C2=NC(=S)N[C@@H](c3ccccc3)C2C1 ZINC000001641910 563398825 /nfs/dbraw/zinc/39/88/25/563398825.db2.gz CAJQQZSVKSXMPE-GTVARFKMSA-N 1 0 347.487 3.900 40 0 EHABRO Cc1ccc(OCC(COc2ccc(C)cc2)OCC[NH+](C)C)cc1 ZINC000001707033 563405635 /nfs/dbraw/zinc/40/56/35/563405635.db2.gz JQCNABKFHCVASI-UHFFFAOYSA-N 1 0 343.467 3.708 40 0 EHABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C1CC1 ZINC000008253301 563624772 /nfs/dbraw/zinc/62/47/72/563624772.db2.gz BEYNOUDNTJZVCD-UHFFFAOYSA-N 1 0 349.066 3.862 40 0 EHABRO Cc1cccc(C2(O)CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000012147620 563655135 /nfs/dbraw/zinc/65/51/35/563655135.db2.gz XJDDOUJXRAZXQO-UHFFFAOYSA-N 1 0 347.462 3.869 40 0 EHABRO CC[N@@H+]1CCC[C@@H]1CNc1ncc(-c2ccccn2)c(-c2ccco2)n1 ZINC000012222127 563656179 /nfs/dbraw/zinc/65/61/79/563656179.db2.gz DRCLWTVEGSZKNL-OAHLLOKOSA-N 1 0 349.438 3.695 40 0 EHABRO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(-c3ccncn3)cc2)no1 ZINC000012239930 563656808 /nfs/dbraw/zinc/65/68/08/563656808.db2.gz AZOPHJDWLYNYLC-AWEZNQCLSA-N 1 0 335.411 3.568 40 0 EHABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000012292453 563657344 /nfs/dbraw/zinc/65/73/44/563657344.db2.gz YWYREWVIGHWIDF-LJQANCHMSA-N 1 0 345.870 3.665 40 0 EHABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](Cc3ccc(C)o3)C2)on1 ZINC000013227374 563692688 /nfs/dbraw/zinc/69/26/88/563692688.db2.gz QRNRHQQUQCFHIW-CYBMUJFWSA-N 1 0 344.440 3.783 40 0 EHABRO Clc1ncccc1-c1noc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000013265809 563693526 /nfs/dbraw/zinc/69/35/26/563693526.db2.gz QVJFQLVCYIEWOD-OCCSQVGLSA-N 1 0 332.835 3.940 40 0 EHABRO C[C@@H](SCc1ccccc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000013675526 563710077 /nfs/dbraw/zinc/71/00/77/563710077.db2.gz BLWOOBLXACEVCV-QGZVFWFLSA-N 1 0 334.529 3.691 40 0 EHABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000019019523 563853332 /nfs/dbraw/zinc/85/33/32/563853332.db2.gz IUMUXNIYMHBKSD-UFYCRDLUSA-N 1 0 340.492 3.585 40 0 EHABRO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCC1 ZINC000038832671 563922194 /nfs/dbraw/zinc/92/21/94/563922194.db2.gz TZXPGJYTIYEZHS-CYBMUJFWSA-N 1 0 341.282 3.828 40 0 EHABRO C=Cn1ncc(C[N@H+](CCCn2ccnc2)C[C@@H]2CC=CCC2)c1C ZINC000043277742 563925540 /nfs/dbraw/zinc/92/55/40/563925540.db2.gz LIYAXQDCXWCWDK-LJQANCHMSA-N 1 0 339.487 3.737 40 0 EHABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000044933965 563928392 /nfs/dbraw/zinc/92/83/92/563928392.db2.gz ZIFSAIJUTHULLT-VQIMIIECSA-N 1 0 340.442 3.915 40 0 EHABRO Clc1nc2cc3c(cc2cc1C[NH2+]Cc1ccccc1)OCO3 ZINC000013535382 563929449 /nfs/dbraw/zinc/92/94/49/563929449.db2.gz BHJCRLDHFXSLKJ-UHFFFAOYSA-N 1 0 326.783 3.907 40 0 EHABRO O=C(CSc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000047495635 563929791 /nfs/dbraw/zinc/92/97/91/563929791.db2.gz SFMXSCWSVUXRRQ-UHFFFAOYSA-N 1 0 340.492 3.691 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)CCC2CCCC2)c2ccccn2)CC1 ZINC000257331816 563970603 /nfs/dbraw/zinc/97/06/03/563970603.db2.gz XUJRTCRKLHILED-DBXWQHBBSA-N 1 0 343.515 3.974 40 0 EHABRO CC(C)COC(=O)NC1CC2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000585103890 563971493 /nfs/dbraw/zinc/97/14/93/563971493.db2.gz SXGRUZLNCSHSPS-UHFFFAOYSA-N 1 0 344.499 3.856 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)s1 ZINC000096046355 563978047 /nfs/dbraw/zinc/97/80/47/563978047.db2.gz DXFGISWPCUOKSF-JCGIZDLHSA-N 1 0 329.469 3.507 40 0 EHABRO COc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)cc1 ZINC000096047783 563978333 /nfs/dbraw/zinc/97/83/33/563978333.db2.gz NJTYZCJSKBPFRT-LJQANCHMSA-N 1 0 338.451 3.629 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096051149 563978559 /nfs/dbraw/zinc/97/85/59/563978559.db2.gz GJPYKGKKZHMWLY-GOSISDBHSA-N 1 0 347.409 3.721 40 0 EHABRO Cc1ccc(C(=O)N2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)o1 ZINC000096051593 563978694 /nfs/dbraw/zinc/97/86/94/563978694.db2.gz MVPQXXUPMJQDTA-GOSISDBHSA-N 1 0 342.439 3.698 40 0 EHABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1cccs1)CC2 ZINC000096061430 563978923 /nfs/dbraw/zinc/97/89/23/563978923.db2.gz ATHBREHGDHGTNP-GOSISDBHSA-N 1 0 340.492 3.729 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)s1 ZINC000096161272 563979857 /nfs/dbraw/zinc/97/98/57/563979857.db2.gz RDXOMUKGUPBFLS-UHFFFAOYSA-N 1 0 340.492 3.511 40 0 EHABRO FC(F)(F)Cc1cnc(Nc2cccc(C3CC[NH2+]CC3)n2)s1 ZINC000585263376 563981031 /nfs/dbraw/zinc/98/10/31/563981031.db2.gz XNMGIIMTZBBDLT-UHFFFAOYSA-N 1 0 342.390 3.854 40 0 EHABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000585290629 563982129 /nfs/dbraw/zinc/98/21/29/563982129.db2.gz YTJYLOBEHUQKJX-PWRODBHTSA-N 1 0 343.442 3.709 40 0 EHABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000004019140 564004665 /nfs/dbraw/zinc/00/46/65/564004665.db2.gz OTTUUPAQKHWADJ-ZHNGQKSSSA-N 1 0 345.527 3.883 40 0 EHABRO C[C@@H]1[C@H](C[NH2+]CCC[NH+](C)C)[C@@H](C)C[C@]2(C)Oc3ccccc3C[C@@H]12 ZINC000004026979 564004686 /nfs/dbraw/zinc/00/46/86/564004686.db2.gz LNUAAHAFERZTED-OAHNXUFLSA-N 1 0 344.543 3.830 40 0 EHABRO CC(C)c1ccc(CCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540911 564017473 /nfs/dbraw/zinc/01/74/73/564017473.db2.gz WSDIWYNMQCCESP-UHFFFAOYSA-N 1 0 330.516 3.981 40 0 EHABRO CC[C@H]1[C@@H](O)C[C@H](c2ccc(OC)cc2)[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000004133169 564026587 /nfs/dbraw/zinc/02/65/87/564026587.db2.gz WBWWKIRERSPQIP-JSXRDJHFSA-N 1 0 341.451 3.867 40 0 EHABRO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224550585 564043075 /nfs/dbraw/zinc/04/30/75/564043075.db2.gz YNOVFULZASPPSR-UHFFFAOYSA-N 1 0 330.447 3.654 40 0 EHABRO O=C(Cc1ccc(-c2ccccc2)cc1)NCC[NH+]1CCCCCC1 ZINC000224975845 564044156 /nfs/dbraw/zinc/04/41/56/564044156.db2.gz SLKTYVLIGVEBRN-UHFFFAOYSA-N 1 0 336.479 3.888 40 0 EHABRO c1cc(COCC[C@@H]2CCOC23CC[NH+](CC2CCC2)CC3)ccn1 ZINC000248328220 564053133 /nfs/dbraw/zinc/05/31/33/564053133.db2.gz BEYWIAFZQGQJIC-HXUWFJFHSA-N 1 0 344.499 3.660 40 0 EHABRO Cc1c[nH]c(-c2cc(CC3CC[NH+](Cc4ccccc4)CC3)ncn2)n1 ZINC000257289687 564054831 /nfs/dbraw/zinc/05/48/31/564054831.db2.gz PZURKEUFARJZKS-UHFFFAOYSA-N 1 0 347.466 3.630 40 0 EHABRO NC(=O)c1sc2ncccc2c1C1CC[NH+](C2CCCC2)CC1 ZINC000257337243 564055709 /nfs/dbraw/zinc/05/57/09/564055709.db2.gz YRZUEYQLZVKMSF-UHFFFAOYSA-N 1 0 329.469 3.517 40 0 EHABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)nc1 ZINC000257342688 564055752 /nfs/dbraw/zinc/05/57/52/564055752.db2.gz ZPSWZNDKGSQCSN-HXUWFJFHSA-N 1 0 348.450 3.602 40 0 EHABRO Clc1ccc(-c2cnc3n2C[C@H](C[NH2+]C2CCCC2)OC3)cc1 ZINC000096112928 564145420 /nfs/dbraw/zinc/14/54/20/564145420.db2.gz SMLKGGCZBQCDGY-INIZCTEOSA-N 1 0 331.847 3.635 40 0 biogenic,in-vitro EHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2c1ccc(C)c2C ZINC000012362760 201840994 /nfs/dbraw/zinc/84/09/94/201840994.db2.gz LKMPSCULCDVZTP-KRWDZBQOSA-N 1 0 341.499 3.626 40 0 EHABRO Fc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019293787 202002714 /nfs/dbraw/zinc/00/27/14/202002714.db2.gz HSTIACCKKDHAAS-CYBMUJFWSA-N 1 0 329.400 3.927 40 0 EHABRO O=C(c1cc2c(cccc2F)[nH]1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019345277 202004980 /nfs/dbraw/zinc/00/49/80/202004980.db2.gz FHFWZBNEGIYITE-OAHLLOKOSA-N 1 0 343.446 3.788 40 0 EHABRO CCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](C[NH+](C)C)C3)ccc21 ZINC000019523868 202010372 /nfs/dbraw/zinc/01/03/72/202010372.db2.gz CGGLFUCEYXIFCE-KRWDZBQOSA-N 1 0 341.499 3.692 40 0 EHABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019554926 202011394 /nfs/dbraw/zinc/01/13/94/202011394.db2.gz YGLUDMUXRWIHLM-CQSZACIVSA-N 1 0 341.436 3.796 40 0 EHABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)C1CCC1 ZINC000019590176 202012557 /nfs/dbraw/zinc/01/25/57/202012557.db2.gz QWVWFTJBEUKGLQ-VAMGGRTRSA-N 1 0 326.484 3.656 40 0 EHABRO Cc1cc(N(C)C)cc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)[nH+]1 ZINC000019570268 202012960 /nfs/dbraw/zinc/01/29/60/202012960.db2.gz NPFUMKBWXOOYSK-INIZCTEOSA-N 1 0 341.430 3.615 40 0 EHABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000035092979 213008402 /nfs/dbraw/zinc/00/84/02/213008402.db2.gz QWQMPFKMFZXHDM-URBSSHSUSA-N 1 0 335.532 3.843 40 0 EHABRO CCC[N@H+]1CC=C(c2nn3c(nnc3-c3cccc(C)c3)s2)CC1 ZINC000226250232 201037988 /nfs/dbraw/zinc/03/79/88/201037988.db2.gz VXFXAZROJRFIHI-UHFFFAOYSA-N 1 0 339.468 3.660 40 0 EHABRO O=C(CCc1ccc(Cl)cc1Cl)NCCC[NH+]1CCCC1 ZINC000044605605 202524541 /nfs/dbraw/zinc/52/45/41/202524541.db2.gz JRIQLEYYPNLDFG-UHFFFAOYSA-N 1 0 329.271 3.528 40 0 EHABRO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2ccncc2C)n1 ZINC000257227183 244204022 /nfs/dbraw/zinc/20/40/22/244204022.db2.gz FOARKMRVOGGNNF-SFHVURJKSA-N 1 0 349.438 3.789 40 0 EHABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000072354314 203205059 /nfs/dbraw/zinc/20/50/59/203205059.db2.gz IGZYSWZSLYMLKI-MRXNPFEDSA-N 1 0 325.460 3.759 40 0 EHABRO Clc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389919 203213376 /nfs/dbraw/zinc/21/33/76/203213376.db2.gz RTKIMRSEPVOONV-HNNXBMFYSA-N 1 0 340.814 3.775 40 0 EHABRO CCOc1cc([C@@H](C[N+](C)=O)c2c[nH]c3ccccc32)ccc1O ZINC000094992739 203710224 /nfs/dbraw/zinc/71/02/24/203710224.db2.gz TUUYXUOJCGJDMY-MRXNPFEDSA-O 1 0 325.388 3.813 40 0 EHABRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746898 204246809 /nfs/dbraw/zinc/24/68/09/204246809.db2.gz MYTKXKSDQRWZNI-WMZOPIPTSA-N 1 0 346.471 3.533 40 0 EHABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000049171169 204369406 /nfs/dbraw/zinc/36/94/06/204369406.db2.gz JVKRSAITKZJWCY-AWEZNQCLSA-N 1 0 327.378 3.841 40 0 biogenic,in-vitro EHABRO CC[NH+](CC)CCCNc1cc(C)nc2cc(-c3cccs3)nn21 ZINC000004980296 205742707 /nfs/dbraw/zinc/74/27/07/205742707.db2.gz VWWIRGYCRUALOU-UHFFFAOYSA-N 1 0 343.500 3.910 40 0 EHABRO c1c(-c2ccccc2)nc2n1C[C@H](C[NH2+]CC1CCCCC1)OC2 ZINC000096112890 218609826 /nfs/dbraw/zinc/60/98/26/218609826.db2.gz MFAYNIFVXPRGAD-SFHVURJKSA-N 1 0 325.456 3.619 40 0 biogenic,in-vitro EHABRO Fc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329006766 257906022 /nfs/dbraw/zinc/90/60/22/257906022.db2.gz LEHPCUAVGUWQBU-UHFFFAOYSA-N 1 0 340.446 3.694 40 0 EHABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000006617283 563574675 /nfs/dbraw/zinc/57/46/75/563574675.db2.gz QJAWMQQAZFJDAY-VMBXEPDQSA-N 1 0 343.511 3.637 40 0 EHABRO O=C(Cc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007923736 563617579 /nfs/dbraw/zinc/61/75/79/563617579.db2.gz AUPQTULUSLTXHQ-UHFFFAOYSA-N 1 0 342.870 3.795 40 0 EHABRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cnn(C)c2)cc1OC ZINC000012120260 563653978 /nfs/dbraw/zinc/65/39/78/563653978.db2.gz QXGUQNBLAUVXQO-QGZVFWFLSA-N 1 0 329.444 3.555 40 0 EHABRO COc1ccc([C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128482 563654223 /nfs/dbraw/zinc/65/42/23/563654223.db2.gz HRPFCOZZRWHTNR-LEWJYISDSA-N 1 0 347.462 3.844 40 0 EHABRO Cn1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012363515 563658816 /nfs/dbraw/zinc/65/88/16/563658816.db2.gz FIQQDFSFPOZCFJ-UHFFFAOYSA-N 1 0 338.426 3.801 40 0 EHABRO O=S(=O)(Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000074931616 563967079 /nfs/dbraw/zinc/96/70/79/563967079.db2.gz LPPMDBUISFQBAD-UHFFFAOYSA-N 1 0 330.453 3.619 40 0 EHABRO O=C1C[C@H]2[C@H](CC[N@@H+]2CC2CCCCC2)N1Cc1cc(F)cc(F)c1 ZINC000585108921 563971693 /nfs/dbraw/zinc/97/16/93/563971693.db2.gz DPCLPPZBXCUVNN-OALUTQOASA-N 1 0 348.437 3.720 40 0 EHABRO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096048742 563978365 /nfs/dbraw/zinc/97/83/65/563978365.db2.gz PGCPLEKOECIORY-IBGZPJMESA-N 1 0 344.455 3.906 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)o1 ZINC000096061332 563978869 /nfs/dbraw/zinc/97/88/69/563978869.db2.gz VZWVBGCMXPSUAV-LJQANCHMSA-N 1 0 338.451 3.569 40 0 EHABRO c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2CC2CCOCC2)cc1 ZINC000096061596 563978949 /nfs/dbraw/zinc/97/89/49/563978949.db2.gz NAVCDKQDSVWMHM-LEWJYISDSA-N 1 0 329.484 3.525 40 0 EHABRO Cc1occc1C(=O)N1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC000096157440 563979762 /nfs/dbraw/zinc/97/97/62/563979762.db2.gz JVHFNVUKEDTLLE-UHFFFAOYSA-N 1 0 344.480 3.778 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H](c4nc(C)no4)O3)CC2)s1 ZINC000096218531 563980407 /nfs/dbraw/zinc/98/04/07/563980407.db2.gz IHJRZFTYGAGLOY-HNNXBMFYSA-N 1 0 333.457 3.634 40 0 EHABRO CC(C)[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1O2 ZINC000096242727 563980585 /nfs/dbraw/zinc/98/05/85/563980585.db2.gz FZPTWIGDTLGMOE-BPQIPLTHSA-N 1 0 342.483 3.525 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]Cc3cccc(F)c3)[C@H]2O)c1 ZINC000585289906 563982027 /nfs/dbraw/zinc/98/20/27/563982027.db2.gz XATMWXPLCSIBLQ-XUVXKRRUSA-N 1 0 329.415 3.585 40 0 EHABRO COc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000138987092 563999946 /nfs/dbraw/zinc/99/99/46/563999946.db2.gz MFBMXKQNNWDQKP-UHFFFAOYSA-N 1 0 338.451 3.611 40 0 EHABRO COc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000004857012 564005422 /nfs/dbraw/zinc/00/54/22/564005422.db2.gz JSQQZZKZFHXRRY-ZXFUBFMLSA-N 1 0 345.512 3.530 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000248120005 564052969 /nfs/dbraw/zinc/05/29/69/564052969.db2.gz MXPXKLFLAOYKER-DFQSSKMNSA-N 1 0 338.451 3.652 40 0 EHABRO C[N@@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257315117 564055291 /nfs/dbraw/zinc/05/52/91/564055291.db2.gz UZZAAGACPILTLU-ZOBUZTSGSA-N 1 0 340.389 3.900 40 0 EHABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257338897 564055716 /nfs/dbraw/zinc/05/57/16/564055716.db2.gz YZIOXMHRGHXPHS-PXNSSMCTSA-N 1 0 343.446 3.704 40 0 EHABRO c1csc(-c2cnc3n2CC[C@@]32CC[N@@H+](Cc3ccccn3)C2)c1 ZINC000306133482 564062274 /nfs/dbraw/zinc/06/22/74/564062274.db2.gz MMXWELIBPRNKBS-LJQANCHMSA-N 1 0 336.464 3.554 40 0 EHABRO Fc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329013950 564071531 /nfs/dbraw/zinc/07/15/31/564071531.db2.gz MSHKTMJSIRCEKH-UHFFFAOYSA-N 1 0 340.446 3.694 40 0 EHABRO CC[NH2+][C@H]1CN(Cc2cccc(OC)c2OC)C2(C1)CCCCC2 ZINC000019703919 564128047 /nfs/dbraw/zinc/12/80/47/564128047.db2.gz PSDYHDQVEOOTJF-QGZVFWFLSA-N 1 0 332.488 3.591 40 0 EHABRO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCCCC4)C[C@H]3F)nc2c1 ZINC000096112304 564145352 /nfs/dbraw/zinc/14/53/52/564145352.db2.gz OUGXUNDKYIDABE-QAPCUYQASA-N 1 0 331.435 3.743 40 0 biogenic,in-vitro EHABRO COc1cc(C=O)cc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c1O ZINC000006782579 201696227 /nfs/dbraw/zinc/69/62/27/201696227.db2.gz NFYVCGAXKDNNJO-UHFFFAOYSA-O 1 0 336.411 3.933 40 0 EHABRO CCc1cccc2c(CC(=O)N[C@H](CC)C[NH+]3CCCC3)c(C)[nH]c21 ZINC000012362822 201841228 /nfs/dbraw/zinc/84/12/28/201841228.db2.gz HDBFKISIUIJZCM-QGZVFWFLSA-N 1 0 341.499 3.572 40 0 EHABRO COc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000018176834 201994656 /nfs/dbraw/zinc/99/46/56/201994656.db2.gz LNLIQINNLXMDKP-UHFFFAOYSA-N 1 0 339.439 3.613 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(c2nnc(-c3ccncc3)o2)CC1 ZINC000019237174 202000604 /nfs/dbraw/zinc/00/06/04/202000604.db2.gz AWGOYHIJJVTIST-UHFFFAOYSA-N 1 0 334.423 3.820 40 0 EHABRO Cc1cccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 ZINC000019234955 202001387 /nfs/dbraw/zinc/00/13/87/202001387.db2.gz IDUKSXPUHOAWIQ-UHFFFAOYSA-N 1 0 334.423 3.820 40 0 EHABRO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc(-c2ccccn2)[nH]1 ZINC000019372019 202005021 /nfs/dbraw/zinc/00/50/21/202005021.db2.gz JFNGPAILAVSMQP-IBGZPJMESA-N 1 0 346.434 3.559 40 0 EHABRO C[C@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C ZINC000019463443 202009160 /nfs/dbraw/zinc/00/91/60/202009160.db2.gz LIADLCRLGJFXFF-UPWFSPPHSA-N 1 0 344.474 3.651 40 0 EHABRO CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccccn1 ZINC000019590199 202012977 /nfs/dbraw/zinc/01/29/77/202012977.db2.gz QSHYNEGHXYXLGS-YPAWHYETSA-N 1 0 335.495 3.924 40 0 EHABRO Cn1cc(-c2ccc(C3CC[NH+](CCc4ccccc4)CC3)nc2)cn1 ZINC000019689040 202016113 /nfs/dbraw/zinc/01/61/13/202016113.db2.gz QZCBQJFOYOTMAG-UHFFFAOYSA-N 1 0 346.478 3.904 40 0 EHABRO CC1CC[NH+](Cc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000020460456 202043870 /nfs/dbraw/zinc/04/38/70/202043870.db2.gz FPKFDSDOSGRMBN-SXLOBPIMSA-N 1 0 326.484 3.837 40 0 EHABRO Cc1cc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C)c1Cl ZINC000037530298 202345468 /nfs/dbraw/zinc/34/54/68/202345468.db2.gz LTOMHKXZZHIXOP-ZENOOKHLSA-N 1 0 325.880 3.674 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2cccc(Cl)c2)C1 ZINC000225726668 242004845 /nfs/dbraw/zinc/00/48/45/242004845.db2.gz KVVYJPKRDZUNQN-ZIAGYGMSSA-N 1 0 339.936 3.994 40 0 EHABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225738285 242012015 /nfs/dbraw/zinc/01/20/15/242012015.db2.gz UDLOLDIBPDCUFO-LJQANCHMSA-N 1 0 336.476 3.551 40 0 EHABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072379050 203210035 /nfs/dbraw/zinc/21/00/35/203210035.db2.gz LUEXEJXCAKTYOJ-GOSISDBHSA-N 1 0 333.439 3.562 40 0 EHABRO Cn1cncc1-c1cccc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257235553 244227403 /nfs/dbraw/zinc/22/74/03/244227403.db2.gz GYHRYLIQBIVGJM-SFHVURJKSA-N 1 0 332.451 3.862 40 0 EHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@H+]2C/C(C)=C/c1ccccc1 ZINC000257246212 244257751 /nfs/dbraw/zinc/25/77/51/244257751.db2.gz ITCFMCXHZZMHSX-MRUCNHBDSA-N 1 0 326.484 3.955 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccc(Nc3cnccn3)cn2)cc1 ZINC000072352990 203204072 /nfs/dbraw/zinc/20/40/72/203204072.db2.gz DWLCWFRASQSTAD-HXUWFJFHSA-N 1 0 345.450 3.995 40 0 EHABRO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359049 203204446 /nfs/dbraw/zinc/20/44/46/203204446.db2.gz JZGYMJWZPLDJGB-LJQANCHMSA-N 1 0 347.466 3.565 40 0 EHABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072360097 203205211 /nfs/dbraw/zinc/20/52/11/203205211.db2.gz QBIWAXRTLOYPDU-SFHVURJKSA-N 1 0 346.438 3.656 40 0 EHABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072355519 203205316 /nfs/dbraw/zinc/20/53/16/203205316.db2.gz FVJXJYMQQPZIKP-MRXNPFEDSA-N 1 0 339.487 3.737 40 0 EHABRO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000072360429 203206187 /nfs/dbraw/zinc/20/61/87/203206187.db2.gz SEYXROIXSZDNRW-IBGZPJMESA-N 1 0 329.488 3.538 40 0 EHABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389961 203213518 /nfs/dbraw/zinc/21/35/18/203213518.db2.gz JISVTBYZXOFODH-SFHVURJKSA-N 1 0 334.423 3.820 40 0 EHABRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 ZINC000072390039 203213810 /nfs/dbraw/zinc/21/38/10/203213810.db2.gz ACAIHUAVHMLIAE-KRWDZBQOSA-N 1 0 334.423 3.820 40 0 EHABRO c1cnc(Nc2cncc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cn1 ZINC000257259962 244293392 /nfs/dbraw/zinc/29/33/92/244293392.db2.gz LAUDHLIXWFQSNL-OAHLLOKOSA-N 1 0 338.459 3.522 40 0 EHABRO Cc1ncc(-c2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)ccn2)n1C ZINC000257273114 244382148 /nfs/dbraw/zinc/38/21/48/244382148.db2.gz NFIBEFOZYVFHFW-LJQANCHMSA-N 1 0 333.439 3.523 40 0 EHABRO CCCCOc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1C ZINC000095095385 203713406 /nfs/dbraw/zinc/71/34/06/203713406.db2.gz ZWVWHZWXJYNALM-OAHLLOKOSA-N 1 0 329.444 3.999 40 0 EHABRO CC(C)Oc1cccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1 ZINC000225437314 535051176 /nfs/dbraw/zinc/05/11/76/535051176.db2.gz BJBKXGFFQKSVCK-UHFFFAOYSA-N 1 0 349.544 3.882 40 0 EHABRO OC1(c2nccc3ccccc32)CC[NH+](CCc2ccccc2)CC1 ZINC000001558860 563391810 /nfs/dbraw/zinc/39/18/10/563391810.db2.gz DLOSWHIIWSQXCC-UHFFFAOYSA-N 1 0 332.447 3.761 40 0 EHABRO CCCC[N@H+](CCO)CCCNc1ccnc2cc(Cl)ccc21 ZINC000001706246 563405354 /nfs/dbraw/zinc/40/53/54/563405354.db2.gz CIWWULIGACDIDJ-UHFFFAOYSA-N 1 0 335.879 3.785 40 0 EHABRO CCOc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1cccs1 ZINC000008254727 563625109 /nfs/dbraw/zinc/62/51/09/563625109.db2.gz OSVUPTVHFPVYBT-UHFFFAOYSA-N 1 0 335.469 3.586 40 0 EHABRO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCc1ccccc1 ZINC000008326360 563626898 /nfs/dbraw/zinc/62/68/98/563626898.db2.gz KPCULODWBBTYEA-SFHVURJKSA-N 1 0 329.440 3.525 40 0 EHABRO Cc1cc2nc(C3CC[NH+](C[C@@H](C)c4ccccc4)CC3)cc(N)n2n1 ZINC000012121522 563654276 /nfs/dbraw/zinc/65/42/76/563654276.db2.gz OLIRHLHGCRDFMW-OAHLLOKOSA-N 1 0 349.482 3.603 40 0 EHABRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C3CCCCC3)no2)C1 ZINC000012199554 563656082 /nfs/dbraw/zinc/65/60/82/563656082.db2.gz XMKNDZJZAUHZHM-HNNXBMFYSA-N 1 0 333.476 3.573 40 0 EHABRO C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(-c3ccncn3)cc2)no1 ZINC000012239927 563656769 /nfs/dbraw/zinc/65/67/69/563656769.db2.gz AZOPHJDWLYNYLC-CQSZACIVSA-N 1 0 335.411 3.568 40 0 EHABRO O=C(Nc1cccc(Cl)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755552 563929273 /nfs/dbraw/zinc/92/92/73/563929273.db2.gz PPCRWFYLSFNSJJ-UHFFFAOYSA-N 1 0 344.846 3.521 40 0 EHABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000000035458 563964058 /nfs/dbraw/zinc/96/40/58/563964058.db2.gz GPXNHBGCMKQUQP-WBMJQRKESA-N 1 0 341.282 3.988 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)CC2CCCCC2)c2ccccn2)CC1 ZINC000257305557 563970438 /nfs/dbraw/zinc/97/04/38/563970438.db2.gz SQNURBFQUCIBTH-DBXWQHBBSA-N 1 0 343.515 3.974 40 0 EHABRO CC(C)C[N@@H+]1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585101927 563971485 /nfs/dbraw/zinc/97/14/85/563971485.db2.gz LSGKVDWWEUMTIE-NRFANRHFSA-N 1 0 337.467 3.571 40 0 EHABRO Cc1cccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)n1 ZINC000585105454 563971546 /nfs/dbraw/zinc/97/15/46/563971546.db2.gz WVXZPZHIUMJEIB-LJQANCHMSA-N 1 0 344.499 3.578 40 0 EHABRO c1csc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC000096049310 563978450 /nfs/dbraw/zinc/97/84/50/563978450.db2.gz VWGPHOVUYBNARU-UHFFFAOYSA-N 1 0 327.497 3.774 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096051580 563978578 /nfs/dbraw/zinc/97/85/78/563978578.db2.gz AXYOHUIXRYLTAV-QGZVFWFLSA-N 1 0 344.480 3.858 40 0 EHABRO COc1cccc(N[C@H]2COC3(C2)CC[NH+](Cc2ccco2)CC3)c1 ZINC000096221386 563980411 /nfs/dbraw/zinc/98/04/11/563980411.db2.gz KQKNUOLQBTVROD-QGZVFWFLSA-N 1 0 342.439 3.524 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)s1 ZINC000096221684 563980445 /nfs/dbraw/zinc/98/04/45/563980445.db2.gz PVPVBUSMAOBHEO-KRWDZBQOSA-N 1 0 344.480 3.654 40 0 EHABRO O=C(c1ccccc1)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC000096239485 563980458 /nfs/dbraw/zinc/98/04/58/563980458.db2.gz CBPXQZJJQSJXEX-OAQYLSRUSA-N 1 0 338.426 3.706 40 0 EHABRO COc1cccc(N[C@@H]2COC3(C2)CC[NH+](CCC(C)C)CC3)c1 ZINC000096221497 563980481 /nfs/dbraw/zinc/98/04/81/563980481.db2.gz OTDSRMKODRYVMJ-SFHVURJKSA-N 1 0 332.488 3.777 40 0 EHABRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N1CCOCC1 ZINC000072219330 563985797 /nfs/dbraw/zinc/98/57/97/563985797.db2.gz AVBPJGLDCZGCRS-HXUWFJFHSA-N 1 0 337.467 3.564 40 0 EHABRO C[NH+](C)CCCN1c2ccccc2[S@](=O)c2ccc(Cl)cc21 ZINC000005317537 564001237 /nfs/dbraw/zinc/00/12/37/564001237.db2.gz QEPPAOXKZOTMPM-JOCHJYFZSA-N 1 0 334.872 3.910 40 0 in-vitro EHABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2C/C(C)=C/c1ccccc1 ZINC000019712352 564023803 /nfs/dbraw/zinc/02/38/03/564023803.db2.gz ZLCJCZXNGDKSFX-SOZVNFAGSA-N 1 0 326.484 3.955 40 0 EHABRO S=C(NCCC[NH+]1CCCCCC1)Nc1ccc(Cl)cc1 ZINC000225398846 564046424 /nfs/dbraw/zinc/04/64/24/564046424.db2.gz NFMJILRQAJOSHG-UHFFFAOYSA-N 1 0 325.909 3.893 40 0 EHABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225611943 564048406 /nfs/dbraw/zinc/04/84/06/564048406.db2.gz JMWYBQYWGWOWHW-FQEVSTJZSA-N 1 0 348.487 3.695 40 0 EHABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225622583 564048571 /nfs/dbraw/zinc/04/85/71/564048571.db2.gz NNDCECONVVSYBQ-IBGZPJMESA-N 1 0 336.476 3.551 40 0 EHABRO CO[C@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225635933 564048774 /nfs/dbraw/zinc/04/87/74/564048774.db2.gz OOEKDCHRKRYXKC-OXQOHEQNSA-N 1 0 348.487 3.551 40 0 EHABRO CC(C)Oc1cccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260732758 564052456 /nfs/dbraw/zinc/05/24/56/564052456.db2.gz AVQILOGLBPSMDE-INIZCTEOSA-N 1 0 349.544 3.882 40 0 EHABRO Cc1ncc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000257326091 564055502 /nfs/dbraw/zinc/05/55/02/564055502.db2.gz WVTJYUMRDDUYIJ-SFHVURJKSA-N 1 0 347.466 3.565 40 0 EHABRO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3CC3CCCCC3)n2)c1 ZINC000015674371 564070507 /nfs/dbraw/zinc/07/05/07/564070507.db2.gz PGNZKSRJYJKCPI-MSOLQXFVSA-N 1 0 341.455 3.733 40 0 biogenic,in-vitro EHABRO COc1ccc(C2([NH2+]Cc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000012238663 201834520 /nfs/dbraw/zinc/83/45/20/201834520.db2.gz UGXWERPJRHWIEX-UHFFFAOYSA-N 1 0 336.435 3.601 40 0 EHABRO O[C@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000040373043 213293404 /nfs/dbraw/zinc/29/34/04/213293404.db2.gz BYAFBBIJEKEDLZ-NRFANRHFSA-N 1 0 339.479 3.682 40 0 EHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnc(C)nc2)cc1 ZINC000019287285 202003252 /nfs/dbraw/zinc/00/32/52/202003252.db2.gz VODOIXKHYYPKKX-ANULTFPQSA-N 1 0 337.467 3.856 40 0 EHABRO Fc1ccc([C@H]2C[NH2+][C@@H]3CCCN(Cc4ccccc4F)[C@@H]32)cc1 ZINC000019349129 202006161 /nfs/dbraw/zinc/00/61/61/202006161.db2.gz NZZHZMCAOKAECD-MISYRCLQSA-N 1 0 328.406 3.685 40 0 EHABRO c1ccc(Nc2cc(-c3ccncc3)nc(C3CC[NH2+]CC3)n2)cc1 ZINC000019373342 202007882 /nfs/dbraw/zinc/00/78/82/202007882.db2.gz SUBAZHRRHHOAKW-UHFFFAOYSA-N 1 0 331.423 3.749 40 0 EHABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c(C)[nH]c2c1cccc2C ZINC000019500297 202008366 /nfs/dbraw/zinc/00/83/66/202008366.db2.gz XILNLXDRTFITQY-QGZVFWFLSA-N 1 0 341.499 3.708 40 0 EHABRO CCc1ncc(CN(Cc2cccs2)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000019523293 202010511 /nfs/dbraw/zinc/01/05/11/202010511.db2.gz JIKSFYIPJOYICO-QGZVFWFLSA-N 1 0 344.528 3.587 40 0 EHABRO C[N@@H+](Cc1c2cccnc2[nH]c1-c1ccco1)C[C@H](O)c1ccccc1 ZINC000019586384 202012323 /nfs/dbraw/zinc/01/23/23/202012323.db2.gz VPVVMGPLEUXTFB-SFHVURJKSA-N 1 0 347.418 3.988 40 0 EHABRO C[NH+](C)CCN(Cc1ccncc1)Cc1c(Cl)cccc1Cl ZINC000019582688 202012347 /nfs/dbraw/zinc/01/23/47/202012347.db2.gz IMGMJEVAGKPKEC-UHFFFAOYSA-N 1 0 338.282 3.952 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000020046951 202030071 /nfs/dbraw/zinc/03/00/71/202030071.db2.gz SMCDOMKXIOVFPZ-UHFFFAOYSA-N 1 0 326.440 3.718 40 0 EHABRO c1ccc(-c2nc3sc4ccccc4n3c2CN2CC[NH2+]CC2)cc1 ZINC000022465191 202085335 /nfs/dbraw/zinc/08/53/35/202085335.db2.gz WHZHVCGDGDXFPX-UHFFFAOYSA-N 1 0 348.475 3.621 40 0 EHABRO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000030858694 202200261 /nfs/dbraw/zinc/20/02/61/202200261.db2.gz YKTSJTNARVPURU-GOSISDBHSA-N 1 0 332.488 3.535 40 0 EHABRO FC(F)(F)c1ccc(Cl)c(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000199783184 241040472 /nfs/dbraw/zinc/04/04/72/241040472.db2.gz OCFMIWKDDFKNNV-UHFFFAOYSA-N 1 0 331.725 3.876 40 0 EHABRO O=C(c1ccccc1)c1ccc[n+](CCc2c[nH]c3ccccc23)c1 ZINC000001667320 201516125 /nfs/dbraw/zinc/51/61/25/201516125.db2.gz NGDKSQJSMNTATH-UHFFFAOYSA-N 1 0 327.407 3.929 40 0 EHABRO Cn1ccc2cc(C[C@@H]3COCC[N@H+](CCC(F)(F)F)C3)ccc21 ZINC000257206442 244136469 /nfs/dbraw/zinc/13/64/69/244136469.db2.gz BDLMOVPUVMFTRS-HNNXBMFYSA-N 1 0 340.389 3.622 40 0 EHABRO Cc1cc(C)nc(Nc2cccc(C3CC[NH+](C(C)C)CC3)n2)n1 ZINC000257202971 244123124 /nfs/dbraw/zinc/12/31/24/244123124.db2.gz AOCLOJQBIWETDB-UHFFFAOYSA-N 1 0 325.460 3.820 40 0 EHABRO CCCn1nccc1-c1cc([C@@H]2CCC[N@@H+](C(C)C)C2)nc(C)n1 ZINC000257209757 244145757 /nfs/dbraw/zinc/14/57/57/244145757.db2.gz BRTFORFXHAFPLZ-MRXNPFEDSA-N 1 0 327.476 3.646 40 0 EHABRO Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257213829 244160892 /nfs/dbraw/zinc/16/08/92/244160892.db2.gz CJFWNJQIXOAYIS-MRXNPFEDSA-N 1 0 327.476 3.817 40 0 EHABRO c1cc2ccc(C[C@@H]3COCC[N@H+](Cc4cncs4)C3)cc2o1 ZINC000257245200 244256298 /nfs/dbraw/zinc/25/62/98/244256298.db2.gz IOMNUMVDWWPYGK-HNNXBMFYSA-N 1 0 328.437 3.580 40 0 EHABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000257250125 244268223 /nfs/dbraw/zinc/26/82/23/244268223.db2.gz JLDDWYQOUZGCSA-HNNXBMFYSA-N 1 0 349.413 3.888 40 0 EHABRO Cc1ccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CCC[NH2+]C3)cc2)cc1 ZINC000072391897 203213203 /nfs/dbraw/zinc/21/32/03/203213203.db2.gz IHUXAZMOMZBTAK-QFIPXVFZSA-N 1 0 336.479 3.663 40 0 EHABRO Cc1ccc(-c2ccc(C[C@]3(C(=O)N(C)C)CCC[NH2+]C3)cc2)cc1 ZINC000072391896 203214222 /nfs/dbraw/zinc/21/42/22/203214222.db2.gz IHUXAZMOMZBTAK-JOCHJYFZSA-N 1 0 336.479 3.663 40 0 EHABRO Cn1cnc2c1cc(C1CC[NH+](CC3CC3)CC1)nc2-c1cccnc1 ZINC000096100453 203834014 /nfs/dbraw/zinc/83/40/14/203834014.db2.gz UIVHRGAYHZYBLH-UHFFFAOYSA-N 1 0 347.466 3.620 40 0 EHABRO Cc1ccc(NC(=O)C[NH2+]Cc2cccs2)c(Br)c1 ZINC000012481240 207148407 /nfs/dbraw/zinc/14/84/07/207148407.db2.gz IWXBCLBWLILYGW-UHFFFAOYSA-N 1 0 339.258 3.547 40 0 EHABRO CC[NH+](CC)CCn1c(Cc2cccc(OC)c2)nc2ccccc21 ZINC000001638861 563398591 /nfs/dbraw/zinc/39/85/91/563398591.db2.gz DKGPIAALXIUMNA-UHFFFAOYSA-N 1 0 337.467 3.978 40 0 EHABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc2c(Cl)c(Cl)ccc2c1 ZINC000001702464 563404972 /nfs/dbraw/zinc/40/49/72/563404972.db2.gz FTYBSFGSOKEVRK-UHFFFAOYSA-N 1 0 336.226 3.751 40 0 EHABRO CC[C@@H](OC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000006356106 563565794 /nfs/dbraw/zinc/56/57/94/563565794.db2.gz QBKYHGIVYNYNLB-NHCUHLMSSA-N 1 0 325.452 3.574 40 0 EHABRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000008326323 563626842 /nfs/dbraw/zinc/62/68/42/563626842.db2.gz QPJNEHKIHSXZOK-INIZCTEOSA-N 1 0 337.822 3.919 40 0 EHABRO O=C(/C=C/c1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008429952 563630085 /nfs/dbraw/zinc/63/00/85/563630085.db2.gz TXLXDAQCCFEICW-FMIVXFBMSA-N 1 0 338.426 3.751 40 0 EHABRO Cc1ccsc1C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H](C)O ZINC000012147045 563655036 /nfs/dbraw/zinc/65/50/36/563655036.db2.gz WZIVICRJRAVLEV-HNNXBMFYSA-N 1 0 341.480 3.830 40 0 EHABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000012182107 563655144 /nfs/dbraw/zinc/65/51/44/563655144.db2.gz GBOVVLCBJFNDBS-AEFFLSMTSA-N 1 0 337.467 3.854 40 0 EHABRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849433 563922382 /nfs/dbraw/zinc/92/23/82/563922382.db2.gz NTCCQPIBSBZLQO-SFHVURJKSA-N 1 0 338.451 3.854 40 0 EHABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100791 563971478 /nfs/dbraw/zinc/97/14/78/563971478.db2.gz WSFJDOUUTOEEBZ-KDOFPFPSSA-N 1 0 335.517 3.597 40 0 EHABRO CC[C@@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109817 563971608 /nfs/dbraw/zinc/97/16/08/563971608.db2.gz WVLONEOFHFCSEG-PSOYPTMXSA-N 1 0 349.478 3.628 40 0 EHABRO c1cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)cs1 ZINC000096046945 563978100 /nfs/dbraw/zinc/97/81/00/563978100.db2.gz DLEDZNHLVRZYAZ-IBGZPJMESA-N 1 0 327.497 3.631 40 0 EHABRO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046391 563978125 /nfs/dbraw/zinc/97/81/25/563978125.db2.gz JGHPNAHFNSHOMR-RYQLBKOJSA-N 1 0 327.428 3.545 40 0 EHABRO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096047008 563978207 /nfs/dbraw/zinc/97/82/07/563978207.db2.gz FWPXDBYSDBQHQI-SFHVURJKSA-N 1 0 346.521 3.938 40 0 EHABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4cccs4)C3)C2=O)c1 ZINC000096050561 563978431 /nfs/dbraw/zinc/97/84/31/563978431.db2.gz BHOZUNMQYGTNIC-FQEVSTJZSA-N 1 0 340.492 3.681 40 0 EHABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2=O)c1 ZINC000096050562 563978435 /nfs/dbraw/zinc/97/84/35/563978435.db2.gz BHOZUNMQYGTNIC-HXUWFJFHSA-N 1 0 340.492 3.681 40 0 EHABRO Cc1cccc(C[NH+]2CCC3(C[C@H](Nc4ccccn4)CO3)CC2)c1 ZINC000096221367 563980443 /nfs/dbraw/zinc/98/04/43/563980443.db2.gz GJGYNYBAKZMIHI-IBGZPJMESA-N 1 0 337.467 3.626 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3F)[C@H]2O)c1 ZINC000585289722 563982020 /nfs/dbraw/zinc/98/20/20/563982020.db2.gz WDFOVAMTDNMWRV-XUVXKRRUSA-N 1 0 329.415 3.585 40 0 EHABRO Cc1ccc(OCC[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369846 563991011 /nfs/dbraw/zinc/99/10/11/563991011.db2.gz UKOBQRYXYFTMCW-GOSISDBHSA-N 1 0 349.434 3.913 40 0 EHABRO Cc1cccc2cc(C[NH2+]CCc3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000013566547 564020142 /nfs/dbraw/zinc/02/01/42/564020142.db2.gz CFAGVDVTKZOMJQ-UHFFFAOYSA-N 1 0 326.827 3.822 40 0 EHABRO COc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1Cl ZINC000225409822 564046500 /nfs/dbraw/zinc/04/65/00/564046500.db2.gz PVARDGDMIPAKFO-UHFFFAOYSA-N 1 0 341.908 3.511 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)c(Cl)c1 ZINC000225607252 564048319 /nfs/dbraw/zinc/04/83/19/564048319.db2.gz KSDZKDVSSJOWFC-OAHLLOKOSA-N 1 0 338.879 3.733 40 0 EHABRO COCC[C@@H]1CCOC12CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC000247894656 564052826 /nfs/dbraw/zinc/05/28/26/564052826.db2.gz UMNZXQGSALBISX-QGZVFWFLSA-N 1 0 328.456 3.576 40 0 EHABRO Cc1cc(-c2ccnn2C(C)C)nc(CC2CC[NH+](C(C)C)CC2)n1 ZINC000257280471 564054659 /nfs/dbraw/zinc/05/46/59/564054659.db2.gz OLAQZWOFQANIJC-UHFFFAOYSA-N 1 0 341.503 3.892 40 0 EHABRO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)ccn1 ZINC000257311434 564055247 /nfs/dbraw/zinc/05/52/47/564055247.db2.gz UJLDGXLGJUVEQW-GOSISDBHSA-N 1 0 348.454 3.599 40 0 EHABRO Fc1ccc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306129487 564062165 /nfs/dbraw/zinc/06/21/65/564062165.db2.gz IESPOGISSLPVGL-MOPGFXCFSA-N 1 0 347.437 3.994 40 0 EHABRO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@H+](Cc3ccoc3)C1)C2 ZINC000306138556 564062334 /nfs/dbraw/zinc/06/23/34/564062334.db2.gz SATQGSIKISDRBF-OAQYLSRUSA-N 1 0 349.434 3.600 40 0 EHABRO CC[C@@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C)[nH+]1 ZINC000328975449 564071110 /nfs/dbraw/zinc/07/11/10/564071110.db2.gz FKOMKYHTCLJQNL-KGLIPLIRSA-N 1 0 340.471 3.611 40 0 EHABRO c1ccc(CN2CCC[C@@]3(C2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000019372017 202005463 /nfs/dbraw/zinc/00/54/63/202005463.db2.gz LUTQFAMQSNTGNR-QFIPXVFZSA-N 1 0 331.463 3.805 40 0 EHABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344682 202005580 /nfs/dbraw/zinc/00/55/80/202005580.db2.gz MRCAFUMHGYKXIU-CYBMUJFWSA-N 1 0 329.400 3.927 40 0 EHABRO Cc1c2ccccc2oc1C[NH+]1CCC(N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019566362 202011303 /nfs/dbraw/zinc/01/13/03/202011303.db2.gz LNSPZYYYAOQBNM-HOTGVXAUSA-N 1 0 342.483 3.815 40 0 EHABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020456725 202043390 /nfs/dbraw/zinc/04/33/90/202043390.db2.gz OUZKVEKIGLMALI-LMMKCTJWSA-N 1 0 346.515 3.637 40 0 EHABRO CC1CC[NH+](Cc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000020482912 202045212 /nfs/dbraw/zinc/04/52/12/202045212.db2.gz LRFSLGCIKJQCIQ-UHFFFAOYSA-N 1 0 336.479 3.891 40 0 EHABRO C[NH+](C)CCN(Cc1cccs1)Cc1cccc2cccnc21 ZINC000022914984 202094826 /nfs/dbraw/zinc/09/48/26/202094826.db2.gz JPVOFNSYQFXSIO-UHFFFAOYSA-N 1 0 325.481 3.860 40 0 EHABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000030858046 202200597 /nfs/dbraw/zinc/20/05/97/202200597.db2.gz BGQWIIYERKKPGT-LJQANCHMSA-N 1 0 346.515 3.843 40 0 EHABRO O[C@@H](C[NH+](Cc1ccccc1)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000031946875 202215342 /nfs/dbraw/zinc/21/53/42/202215342.db2.gz UCNCUQNDNPWJTI-GOTSBHOMSA-N 1 0 347.458 3.956 40 0 EHABRO O=C(CCc1ccc(F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463225 202225459 /nfs/dbraw/zinc/22/54/59/202225459.db2.gz TVZYLTWZFMNKIS-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cccc(OC)c1 ZINC000022931713 212335988 /nfs/dbraw/zinc/33/59/88/212335988.db2.gz WLHMTSYCPYGBGW-FQEVSTJZSA-N 1 0 339.483 3.577 40 0 EHABRO CCCCOc1c(N)cc(Cl)cc1C(=O)OCC[NH+](CC)CC ZINC000001672737 201516337 /nfs/dbraw/zinc/51/63/37/201516337.db2.gz JBJSOTRAGZFXLL-UHFFFAOYSA-N 1 0 342.867 3.600 40 0 EHABRO CC[C@@]12CCC[NH2+][C@@H]1c1c3ccccc3n(C)c1[C@H](C(=O)OC)C2 ZINC000005500002 201654037 /nfs/dbraw/zinc/65/40/37/201654037.db2.gz BOUCDMYOGZRXRQ-DJKXOVBDSA-N 1 0 326.440 3.660 40 0 EHABRO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378677 203210753 /nfs/dbraw/zinc/21/07/53/203210753.db2.gz AAHQNUFKVVZHHW-HXUWFJFHSA-N 1 0 347.466 3.740 40 0 EHABRO Clc1ccc(C[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000072392317 203212841 /nfs/dbraw/zinc/21/28/41/203212841.db2.gz BWFUZHFDCOGKJZ-UHFFFAOYSA-N 1 0 349.825 3.735 40 0 EHABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389962 203213606 /nfs/dbraw/zinc/21/36/06/203213606.db2.gz JISVTBYZXOFODH-GOSISDBHSA-N 1 0 334.423 3.820 40 0 EHABRO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257259901 244293100 /nfs/dbraw/zinc/29/31/00/244293100.db2.gz LAPHRQSGFRGQMO-KRWDZBQOSA-N 1 0 334.467 3.650 40 0 EHABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)co1 ZINC000107752071 204246449 /nfs/dbraw/zinc/24/64/49/204246449.db2.gz ZPCCGJGMBOWHNR-PMACEKPBSA-N 1 0 333.472 3.858 40 0 EHABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746895 204246850 /nfs/dbraw/zinc/24/68/50/204246850.db2.gz MYTKXKSDQRWZNI-FUHWJXTLSA-N 1 0 346.471 3.533 40 0 EHABRO Clc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169645 204369536 /nfs/dbraw/zinc/36/95/36/204369536.db2.gz FQNGSMOAAVOZSR-HNNXBMFYSA-N 1 0 340.814 3.775 40 0 biogenic,in-vitro EHABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cccs4)C3)o2)cc1 ZINC000049170149 204369836 /nfs/dbraw/zinc/36/98/36/204369836.db2.gz LVZFVVYUJAOAFZ-AWEZNQCLSA-N 1 0 341.436 3.796 40 0 biogenic,in-vitro EHABRO C[N@H+](CCN)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918353 221204096 /nfs/dbraw/zinc/20/40/96/221204096.db2.gz NDAWUPLIPPNPGL-TWGZSJHRSA-N 1 0 348.575 3.649 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(C)cc2)cc1 ZINC000000568277 257869916 /nfs/dbraw/zinc/86/99/16/257869916.db2.gz MYLPYRADQUGZAW-UHFFFAOYSA-N 1 0 326.440 3.854 40 0 EHABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225714483 535545140 /nfs/dbraw/zinc/54/51/40/535545140.db2.gz LFLBFALXLKGSKE-JXFKEZNVSA-N 1 0 348.487 3.551 40 0 EHABRO COc1cc(C)c(C(=O)NCCC[NH+]2CCCCC2)cc1C(C)C ZINC000225661573 536559371 /nfs/dbraw/zinc/55/93/71/536559371.db2.gz WTRFGELHLSTNDD-UHFFFAOYSA-N 1 0 332.488 3.733 40 0 EHABRO COc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000007696786 563610918 /nfs/dbraw/zinc/61/09/18/563610918.db2.gz QHLSVKMMJUIICZ-UHFFFAOYSA-N 1 0 338.451 3.611 40 0 EHABRO Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000010282401 563646372 /nfs/dbraw/zinc/64/63/72/563646372.db2.gz MFJZEQYCOZJVLB-UHFFFAOYSA-N 1 0 336.479 3.840 40 0 EHABRO COc1ccc(C2([NH2+]Cc3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000012117037 563653895 /nfs/dbraw/zinc/65/38/95/563653895.db2.gz CXRMCTBDMZVPNE-UHFFFAOYSA-N 1 0 325.437 3.926 40 0 EHABRO Fc1cccc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)c1F ZINC000012143430 563654688 /nfs/dbraw/zinc/65/46/88/563654688.db2.gz ORAWCVMONHVRFY-UHFFFAOYSA-N 1 0 328.366 3.616 40 0 EHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2c1ccc(C)c2C ZINC000012362763 563658871 /nfs/dbraw/zinc/65/88/71/563658871.db2.gz LKMPSCULCDVZTP-QGZVFWFLSA-N 1 0 341.499 3.626 40 0 EHABRO Cc1nn(-c2ccccc2C)c(C)c1CN(C)CC[NH+]1CCCCC1 ZINC000019237574 563855386 /nfs/dbraw/zinc/85/53/86/563855386.db2.gz QTOUAZYQDRTVHK-UHFFFAOYSA-N 1 0 340.515 3.715 40 0 EHABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832852 563922168 /nfs/dbraw/zinc/92/21/68/563922168.db2.gz TZJGCXIBJFIDOF-VQIMIIECSA-N 1 0 340.442 3.915 40 0 EHABRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038835080 563922351 /nfs/dbraw/zinc/92/23/51/563922351.db2.gz VIPJPXOKWALQGW-MRXNPFEDSA-N 1 0 342.414 3.685 40 0 EHABRO Cc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000044140382 563926256 /nfs/dbraw/zinc/92/62/56/563926256.db2.gz AUXSVIXWZOWMHG-HOTGVXAUSA-N 1 0 333.545 3.958 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000257228096 563967372 /nfs/dbraw/zinc/96/73/72/563967372.db2.gz FSGZPJWEYRTKGC-MBOZVWFJSA-N 1 0 329.488 3.584 40 0 EHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)s1 ZINC000585105229 563971562 /nfs/dbraw/zinc/97/15/62/563971562.db2.gz QZICRAGENJUJRT-INIZCTEOSA-N 1 0 346.521 3.728 40 0 EHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)cc1 ZINC000585105231 563971610 /nfs/dbraw/zinc/97/16/10/563971610.db2.gz RBJXJAKSGAZNHF-IBGZPJMESA-N 1 0 340.492 3.667 40 0 EHABRO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788625 563976275 /nfs/dbraw/zinc/97/62/75/563976275.db2.gz LLXOJUWXRQIGAB-GFCCVEGCSA-N 1 0 330.482 3.974 40 0 EHABRO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3cccc4ccccc43)C2)n1 ZINC000096041226 563978011 /nfs/dbraw/zinc/97/80/11/563978011.db2.gz FGUIPYADIHVPDK-DFQSSKMNSA-N 1 0 349.434 3.678 40 0 EHABRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)s1 ZINC000096053866 563978675 /nfs/dbraw/zinc/97/86/75/563978675.db2.gz RYJFYUYRNDWHRB-IRXDYDNUSA-N 1 0 330.472 3.759 40 0 EHABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057061 563978819 /nfs/dbraw/zinc/97/88/19/563978819.db2.gz NAOJBTKWWLSQQV-HKUYNNGSSA-N 1 0 344.480 3.593 40 0 EHABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2cccs2)[C@H]1Cc1ccccc1 ZINC000096061676 563978996 /nfs/dbraw/zinc/97/89/96/563978996.db2.gz UJNVLOOZMDZYRW-MSOLQXFVSA-N 1 0 342.508 3.914 40 0 EHABRO c1csc(C[NH+]2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)c1 ZINC000096221798 563980495 /nfs/dbraw/zinc/98/04/95/563980495.db2.gz MRYWCPHDLIXJGU-QGZVFWFLSA-N 1 0 329.465 3.951 40 0 EHABRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccccc1)Cc1ccccc12 ZINC000096242393 563980552 /nfs/dbraw/zinc/98/05/52/563980552.db2.gz AMLRGXNUSXDIOT-UHFFFAOYSA-N 1 0 335.451 3.698 40 0 EHABRO CC(C)CC(=O)N[C@H]1CC2(CC[NH+](C(C)C)CC2)Oc2ccccc21 ZINC000096242720 563980562 /nfs/dbraw/zinc/98/05/62/563980562.db2.gz NJJXYOVYRAZTCJ-SFHVURJKSA-N 1 0 344.499 3.916 40 0 EHABRO CCOc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4CC)c2c1 ZINC000000491153 563997467 /nfs/dbraw/zinc/99/74/67/563997467.db2.gz SUWZHLCNFQWNPE-VUEDXXQZSA-N 1 0 340.467 3.787 40 0 in-vitro EHABRO COc1cccc(OC[C@H](O)Cn2c3ccccc3nc2C(C)C)c1 ZINC000000808014 563999272 /nfs/dbraw/zinc/99/92/72/563999272.db2.gz OLDPNKGSBPLIDB-OAHLLOKOSA-N 1 0 340.423 3.608 40 0 EHABRO C=C1[NH+]=C(SCC(C)C)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408987254 564008656 /nfs/dbraw/zinc/00/86/56/564008656.db2.gz FJVPIWNPELDSLQ-INIZCTEOSA-N 1 0 332.469 3.913 40 0 EHABRO Fc1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000225230195 564045478 /nfs/dbraw/zinc/04/54/78/564045478.db2.gz GDSAPOJOTXMGCG-UHFFFAOYSA-N 1 0 349.500 3.838 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(F)cc1F ZINC000225582100 564048027 /nfs/dbraw/zinc/04/80/27/564048027.db2.gz LFOIEZYDNUAVAQ-AWEZNQCLSA-N 1 0 341.471 3.906 40 0 EHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814588 564052639 /nfs/dbraw/zinc/05/26/39/564052639.db2.gz KYFUHTDUENTHJV-OXJNMPFZSA-N 1 0 348.487 3.551 40 0 EHABRO Cc1nc(C2(C)CC[NH+](Cc3cncs3)CC2)c2sccn12 ZINC000257288608 564054792 /nfs/dbraw/zinc/05/47/92/564054792.db2.gz PUXJRBXVYPOMCI-UHFFFAOYSA-N 1 0 332.498 3.714 40 0 EHABRO Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257343577 564055815 /nfs/dbraw/zinc/05/58/15/564055815.db2.gz ZTNUYEYHQTUQEB-MRXNPFEDSA-N 1 0 327.476 3.817 40 0 EHABRO Cc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000264046893 564124743 /nfs/dbraw/zinc/12/47/43/564124743.db2.gz DICLMIMDGPPTQO-UHFFFAOYSA-N 1 0 334.463 3.658 40 0 EHABRO CC[N@H+](Cc1ccc(F)cc1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695718 564128031 /nfs/dbraw/zinc/12/80/31/564128031.db2.gz ANRUPQADYAPJMT-LJQANCHMSA-N 1 0 332.463 3.971 40 0 EHABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2Cc1cccc2ncccc12 ZINC000019712323 564128076 /nfs/dbraw/zinc/12/80/76/564128076.db2.gz GASQJQCGQRKOQH-LEWJYISDSA-N 1 0 337.467 3.600 40 0 EHABRO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000020041790 564128108 /nfs/dbraw/zinc/12/81/08/564128108.db2.gz ZACLFWBUOYVFJD-TXPKVOOTSA-N 1 0 346.515 3.555 40 0 EHABRO CC[C@@H](C)Oc1c(C)cc(-c2noc(C3CC[NH2+]CC3)n2)cc1C ZINC000095095373 564139099 /nfs/dbraw/zinc/13/90/99/564139099.db2.gz DGGBWFOZAWJGAB-CQSZACIVSA-N 1 0 329.444 3.998 40 0 EHABRO CCCCOc1c(C)cc(-c2noc(C3CC[NH2+]CC3)n2)cc1C ZINC000095095372 564139120 /nfs/dbraw/zinc/13/91/20/564139120.db2.gz JCNPPPKTSAWOPV-UHFFFAOYSA-N 1 0 329.444 3.999 40 0 EHABRO Cc1ccc2cc(C[NH2+][C@H](CO)CC3CCCCC3)c(=O)[nH]c2c1 ZINC000585294735 568416132 /nfs/dbraw/zinc/41/61/32/568416132.db2.gz IOSWQQQYJXLFSG-SFHVURJKSA-N 1 0 328.456 3.670 40 0 EHABRO COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2ccncc2C)c1 ZINC000019239498 202001357 /nfs/dbraw/zinc/00/13/57/202001357.db2.gz IEMFLXBMDNLARJ-YRISNDGFSA-N 1 0 338.451 3.831 40 0 EHABRO Fc1ccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 ZINC000019333884 202003848 /nfs/dbraw/zinc/00/38/48/202003848.db2.gz IIHRDBFYAQSSJN-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2c3ncccc3[nH]c2C2CCOCC2)C1 ZINC000019462596 202008567 /nfs/dbraw/zinc/00/85/67/202008567.db2.gz DCLFVORTPWNOBH-HUUCEWRRSA-N 1 0 327.472 3.935 40 0 EHABRO C[C@H]1C[C@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C ZINC000019463447 202008746 /nfs/dbraw/zinc/00/87/46/202008746.db2.gz LIADLCRLGJFXFF-AXBXVSCFSA-N 1 0 344.474 3.651 40 0 EHABRO CCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](C[NH+](C)C)C3)ccc21 ZINC000019523869 202010676 /nfs/dbraw/zinc/01/06/76/202010676.db2.gz CGGLFUCEYXIFCE-QGZVFWFLSA-N 1 0 341.499 3.692 40 0 EHABRO CCn1ncc(CN(Cc2cccs2)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000022915015 202095918 /nfs/dbraw/zinc/09/59/18/202095918.db2.gz ZVWYZEHOUZEFEH-SFHVURJKSA-N 1 0 346.544 3.759 40 0 EHABRO CC[NH+](CC)C[C@@H](O)CNc1ccnc2c(Cl)ccc(Cl)c12 ZINC000031614206 202207685 /nfs/dbraw/zinc/20/76/85/202207685.db2.gz BZWHSBUIROLLNN-NSHDSACASA-N 1 0 342.270 3.656 40 0 EHABRO C=Cn1cc(CN(Cc2cccs2)C[C@H]2CCC[N@H+]2CC)c(C)n1 ZINC000036741273 202330513 /nfs/dbraw/zinc/33/05/13/202330513.db2.gz RQXLSBHMVALLJC-GOSISDBHSA-N 1 0 344.528 3.840 40 0 EHABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000223220722 241616634 /nfs/dbraw/zinc/61/66/34/241616634.db2.gz JZPWGHZTLHPURH-GOSISDBHSA-N 1 0 346.515 3.878 40 0 EHABRO CC[NH+](CC)CCNc1cc(C)nc2cc(-c3ccc(F)cc3)nn21 ZINC000035314976 201674132 /nfs/dbraw/zinc/67/41/32/201674132.db2.gz ZCROXCPHOSCEKU-UHFFFAOYSA-N 1 0 341.434 3.598 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)cc1 ZINC000072376233 203208826 /nfs/dbraw/zinc/20/88/26/203208826.db2.gz JHWSFZBWNTYAFM-LJQANCHMSA-N 1 0 345.450 3.995 40 0 EHABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378644 203211136 /nfs/dbraw/zinc/21/11/36/203211136.db2.gz XSMJLORTTPPSQU-QGZVFWFLSA-N 1 0 336.414 3.786 40 0 EHABRO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257244549 244252489 /nfs/dbraw/zinc/25/24/89/244252489.db2.gz ILVUBTFQUBRPOZ-KRWDZBQOSA-N 1 0 347.466 3.630 40 0 EHABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3)n2)cn1 ZINC000072358121 203204207 /nfs/dbraw/zinc/20/42/07/203204207.db2.gz BYKCTVNGZVLHQL-NRFANRHFSA-N 1 0 332.451 3.743 40 0 EHABRO Clc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389911 203212992 /nfs/dbraw/zinc/21/29/92/203212992.db2.gz NZZZRXSRLRHTTG-HNNXBMFYSA-N 1 0 340.814 3.775 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389977 203213113 /nfs/dbraw/zinc/21/31/13/203213113.db2.gz HXWSYEQPNPMLBC-SFHVURJKSA-N 1 0 334.423 3.820 40 0 EHABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nc3cc(F)ccc3o2)C1 ZINC000049169151 204369180 /nfs/dbraw/zinc/36/91/80/204369180.db2.gz CBEZTKSVGTTYSJ-AWEZNQCLSA-N 1 0 326.371 3.965 40 0 biogenic,in-vitro EHABRO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC3CCCCC3)n2)nc1 ZINC000049155357 204370337 /nfs/dbraw/zinc/37/03/37/204370337.db2.gz HANPPNUUYIDSKT-INIZCTEOSA-N 1 0 330.407 3.988 40 0 biogenic,in-vitro EHABRO CCCC[N@H+]1CC=C(c2nn3c(nnc3-c3ccccc3)s2)CC1 ZINC000226250746 205120929 /nfs/dbraw/zinc/12/09/29/205120929.db2.gz HBFMKMCFXOLBQA-UHFFFAOYSA-N 1 0 339.468 3.742 40 0 EHABRO CCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)C1CC1 ZINC000225723122 535544239 /nfs/dbraw/zinc/54/42/39/535544239.db2.gz ZIFOPBJIVNEVBJ-HXUWFJFHSA-N 1 0 348.487 3.551 40 0 EHABRO CCCCOc1ccc(C(=O)OCC[NH2+]C2CCCCC2)cc1N ZINC000001656374 563399983 /nfs/dbraw/zinc/39/99/83/563399983.db2.gz ZOJKLHJHQIUCRQ-UHFFFAOYSA-N 1 0 334.460 3.527 40 0 EHABRO O[C@@H](C[NH+]1CCCC1)c1cc2cc(Br)ccc2s1 ZINC000001703369 563404988 /nfs/dbraw/zinc/40/49/88/563404988.db2.gz RXIKWIMNBGJIMG-LBPRGKRZSA-N 1 0 326.259 3.793 40 0 EHABRO O=C1C[C@H]([NH2+]C2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000002727748 563446958 /nfs/dbraw/zinc/44/69/58/563446958.db2.gz MBCFIPATYINVHV-AWEZNQCLSA-N 1 0 341.238 3.548 40 0 EHABRO Cc1cccc(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000408605941 563495641 /nfs/dbraw/zinc/49/56/41/563495641.db2.gz HQLGZNGYPJWHCH-OAQYLSRUSA-N 1 0 334.463 3.658 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000004894448 563514569 /nfs/dbraw/zinc/51/45/69/563514569.db2.gz QWLCZUXANZYZJJ-ROUUACIJSA-N 1 0 336.479 3.870 40 0 EHABRO CC[NH+](CC)CCOC(=O)COc1ccccc1Cc1ccccc1 ZINC000005469584 563533630 /nfs/dbraw/zinc/53/36/30/563533630.db2.gz BRWBJSAIGYWBGY-UHFFFAOYSA-N 1 0 341.451 3.541 40 0 EHABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(Cl)cc2)CC1 ZINC000007027239 563593874 /nfs/dbraw/zinc/59/38/74/563593874.db2.gz NBGWCDVXVVTPGL-UHFFFAOYSA-N 1 0 325.909 3.748 40 0 EHABRO CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1OCC ZINC000008253816 563624689 /nfs/dbraw/zinc/62/46/89/563624689.db2.gz HGRXLDFZFUITTP-UHFFFAOYSA-N 1 0 330.266 3.992 40 0 EHABRO C[NH+](C)CCCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000008373909 563627844 /nfs/dbraw/zinc/62/78/44/563627844.db2.gz JSZUWDHCLDBAJR-UHFFFAOYSA-N 1 0 332.875 3.960 40 0 EHABRO CC(C)(C)SCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010326142 563647210 /nfs/dbraw/zinc/64/72/10/563647210.db2.gz ANBDFUYWTBDDBN-UHFFFAOYSA-N 1 0 334.529 3.934 40 0 EHABRO C[NH+](C)CCCNc1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012325484 563658030 /nfs/dbraw/zinc/65/80/30/563658030.db2.gz MREHBFZRNZTBRZ-UHFFFAOYSA-N 1 0 345.497 3.692 40 0 EHABRO Cc1ccc(SCCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000013676524 563710427 /nfs/dbraw/zinc/71/04/27/563710427.db2.gz IQLDSQXYJFVDBS-UHFFFAOYSA-N 1 0 334.529 3.715 40 0 EHABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC[NH+]1CCCCCC1 ZINC000013708771 563713637 /nfs/dbraw/zinc/71/36/37/563713637.db2.gz DVGLDCJZBXYOPX-QGZVFWFLSA-N 1 0 340.467 3.599 40 0 EHABRO COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)c1 ZINC000019120526 563854032 /nfs/dbraw/zinc/85/40/32/563854032.db2.gz UTARDCMLWUJLTR-KBXCAEBGSA-N 1 0 330.428 3.501 40 0 EHABRO C[C@H]1C[N@H+](CCCc2ccc(COc3ccccc3)cc2)CCO1 ZINC000038424828 563921720 /nfs/dbraw/zinc/92/17/20/563921720.db2.gz YTWUUTYVTCWBOS-SFHVURJKSA-N 1 0 325.452 3.919 40 0 EHABRO CC(C)C(NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C(C)C ZINC000038849180 563922299 /nfs/dbraw/zinc/92/22/99/563922299.db2.gz KFRFPBLHPHPYOC-QGZVFWFLSA-N 1 0 334.479 3.835 40 0 EHABRO COc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038834188 563922392 /nfs/dbraw/zinc/92/23/92/563922392.db2.gz WBCKPQSDMVWFQH-INIZCTEOSA-N 1 0 342.414 3.685 40 0 EHABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000044885128 563927412 /nfs/dbraw/zinc/92/74/12/563927412.db2.gz YBIVAMAGHVCTLM-SFHVURJKSA-N 1 0 346.515 3.960 40 0 EHABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCCC1 ZINC000044948012 563928694 /nfs/dbraw/zinc/92/86/94/563928694.db2.gz CCOBBNSZLFABQA-HXUWFJFHSA-N 1 0 340.467 3.599 40 0 EHABRO Fc1ccccc1NC(=S)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046103178 563929433 /nfs/dbraw/zinc/92/94/33/563929433.db2.gz DFVIHHBYFOYSCZ-UHFFFAOYSA-N 1 0 343.471 3.561 40 0 EHABRO CCOc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1 ZINC000061247001 563950493 /nfs/dbraw/zinc/95/04/93/563950493.db2.gz CNSHCEXBJRTFFO-UHFFFAOYSA-N 1 0 335.517 3.638 40 0 EHABRO c1cncc(OCC[C@@H]2CCOC23CC[NH+](C2CCCC2)CC3)c1 ZINC000585104931 563971568 /nfs/dbraw/zinc/97/15/68/563971568.db2.gz MMCNDCWWQLSJDG-QGZVFWFLSA-N 1 0 330.472 3.664 40 0 EHABRO Cc1ccccc1C[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000585104741 563971599 /nfs/dbraw/zinc/97/15/99/563971599.db2.gz LVAHIJSCMVEIIF-IBGZPJMESA-N 1 0 340.492 3.667 40 0 EHABRO Fc1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2nccs2)CC3)cc1 ZINC000096046618 563978114 /nfs/dbraw/zinc/97/81/14/563978114.db2.gz YVANOKDUQXRGFA-UHFFFAOYSA-N 1 0 345.487 3.770 40 0 EHABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3cccs3)C[C@@H]21 ZINC000096058332 563978848 /nfs/dbraw/zinc/97/88/48/563978848.db2.gz RTFAURJEQJKGDO-LNLFQRSKSA-N 1 0 340.492 3.999 40 0 EHABRO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3csc(C)n3)C2)no1 ZINC000096109282 563979242 /nfs/dbraw/zinc/97/92/42/563979242.db2.gz IPNRFPBGHCCKRF-QAPCUYQASA-N 1 0 347.484 3.567 40 0 EHABRO COCC[NH+]1CCC2(C[C@@H](OCC3CC3)c3ccc(C)cc32)CC1 ZINC000096241748 563980528 /nfs/dbraw/zinc/98/05/28/563980528.db2.gz FWVDOLFKWQOAJB-HXUWFJFHSA-N 1 0 329.484 3.846 40 0 EHABRO Clc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000096245637 563980596 /nfs/dbraw/zinc/98/05/96/563980596.db2.gz ILRZCRYIGAUDLG-KDURUIRLSA-N 1 0 326.871 3.904 40 0 EHABRO O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000068927201 563999779 /nfs/dbraw/zinc/99/97/79/563999779.db2.gz FTBNMFHXAHSKOZ-OTWHNJEPSA-N 1 0 326.484 3.594 40 0 EHABRO CC[C@@H]1[N+](c2ccccc2)=C2CCCN2[C@]1(O)c1ccc(Cl)cc1 ZINC000001105697 564001860 /nfs/dbraw/zinc/00/18/60/564001860.db2.gz MCDAKGLADSITDO-ICSRJNTNSA-N 1 0 341.862 3.989 40 0 EHABRO CCSc1nnc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1C(C)C ZINC000004932404 564005617 /nfs/dbraw/zinc/00/56/17/564005617.db2.gz ARYYLAWPHJAILY-INIZCTEOSA-N 1 0 345.516 3.746 40 0 EHABRO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCCC1 ZINC000005480348 564005967 /nfs/dbraw/zinc/00/59/67/564005967.db2.gz KSOGJTLYJTWZOO-KGMASTOKSA-N 1 0 335.532 3.846 40 0 EHABRO Cc1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c(C)c1 ZINC000225215530 564045456 /nfs/dbraw/zinc/04/54/56/564045456.db2.gz RXAHKIZVUAZOJA-UHFFFAOYSA-N 1 0 349.569 3.513 40 0 EHABRO Cc1ncc(-c2cc([C@@H]3CCC[N@@H+]3Cc3cncs3)ccn2)n1C ZINC000257293204 564054942 /nfs/dbraw/zinc/05/49/42/564054942.db2.gz QONXJDGIZNLQNT-KRWDZBQOSA-N 1 0 339.468 3.584 40 0 EHABRO c1ccc(C2CC[NH+](Cc3ccnc([C@@H]4CCCOC4)n3)CC2)cc1 ZINC000257305517 564055156 /nfs/dbraw/zinc/05/51/56/564055156.db2.gz SQJWNPXMSJPWNY-LJQANCHMSA-N 1 0 337.467 3.750 40 0 EHABRO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)n1 ZINC000257339414 564055742 /nfs/dbraw/zinc/05/57/42/564055742.db2.gz ZBPHHHOOCXCFGA-SFHVURJKSA-N 1 0 347.466 3.863 40 0 EHABRO COc1cc(OC)c(/C=C\c2cc[n+](C)c3ccccc23)c(OC)c1 ZINC000005217084 564066113 /nfs/dbraw/zinc/06/61/13/564066113.db2.gz CROZCWVFFQMASO-KTKRTIGZSA-N 1 0 336.411 3.861 40 0 EHABRO CCNc1cc(N2CCc3cc(OC)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329051467 564071921 /nfs/dbraw/zinc/07/19/21/564071921.db2.gz UXUSBHIWCUHJQD-UHFFFAOYSA-N 1 0 326.444 3.603 40 0 EHABRO O=C(OCc1ccccc1)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC000575447507 564079823 /nfs/dbraw/zinc/07/98/23/564079823.db2.gz AUGRQMMVNGVQLT-PMACEKPBSA-N 1 0 336.435 3.530 40 0 EHABRO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@@H+]2C[C@@H]2CC=CCC2)[nH]1 ZINC000247955867 564124516 /nfs/dbraw/zinc/12/45/16/564124516.db2.gz NIUJZZGJGGKOQR-QAPCUYQASA-N 1 0 336.439 3.737 40 0 EHABRO CC(C)n1c2ccccc2nc1CN1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712158 564128035 /nfs/dbraw/zinc/12/80/35/564128035.db2.gz KIULDEAHYUIONZ-FUHWJXTLSA-N 1 0 326.488 3.724 40 0 EHABRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000252514045 564133808 /nfs/dbraw/zinc/13/38/08/564133808.db2.gz AYRHIEIVWIXGOF-VNYTWHDVSA-N 1 0 328.500 3.901 40 0 EHABRO FC(F)(F)c1ccc(O[C@H]2COCC[N@H+](CC3CCCC3)C2)cc1 ZINC000096113170 564145425 /nfs/dbraw/zinc/14/54/25/564145425.db2.gz NFZTZLKPGGZGQJ-QGZVFWFLSA-N 1 0 343.389 3.975 40 0 biogenic,in-vitro EHABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccncc4)CC3)o2)s1 ZINC000019217869 202001081 /nfs/dbraw/zinc/00/10/81/202001081.db2.gz SXOSIZIDORRBCS-UHFFFAOYSA-N 1 0 340.452 3.881 40 0 EHABRO c1cncc(-c2nnc(C3CC[NH+](CC4CCCCC4)CC3)o2)c1 ZINC000019341445 202005373 /nfs/dbraw/zinc/00/53/73/202005373.db2.gz NSDKJNZADDIGTI-UHFFFAOYSA-N 1 0 326.444 3.891 40 0 EHABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000019373267 202007847 /nfs/dbraw/zinc/00/78/47/202007847.db2.gz YNWHHUBZZXPXGT-MRXNPFEDSA-N 1 0 331.423 3.749 40 0 EHABRO CC(C)c1ccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019453290 202008440 /nfs/dbraw/zinc/00/84/40/202008440.db2.gz DHHIPJIRFSCLHO-FQEVSTJZSA-N 1 0 336.483 3.583 40 0 EHABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(N2CCCC2=O)cc1 ZINC000019498363 202008929 /nfs/dbraw/zinc/00/89/29/202008929.db2.gz FHROJIRPLUFWBP-AWEZNQCLSA-N 1 0 326.465 3.994 40 0 EHABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cccnc1 ZINC000019589174 202012698 /nfs/dbraw/zinc/01/26/98/202012698.db2.gz SSGNVHHFXMFHDV-NJDAHSKKSA-N 1 0 349.478 3.564 40 0 EHABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccccn1 ZINC000019589172 202012795 /nfs/dbraw/zinc/01/27/95/202012795.db2.gz LIFAEPUAYBZVHP-HMXCVIKNSA-N 1 0 349.478 3.564 40 0 EHABRO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020456722 202042874 /nfs/dbraw/zinc/04/28/74/202042874.db2.gz OUZKVEKIGLMALI-ZIFCJYIRSA-N 1 0 346.515 3.637 40 0 EHABRO O=C(Cc1ccccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114534 202113111 /nfs/dbraw/zinc/11/31/11/202113111.db2.gz PESAJXXETFLKTA-UHFFFAOYSA-N 1 0 342.870 3.795 40 0 EHABRO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216242428 241177132 /nfs/dbraw/zinc/17/71/32/241177132.db2.gz BZOPGCRCZISMFU-RBUKOAKNSA-N 1 0 346.515 3.923 40 0 EHABRO CC[NH+](CC)CCNc1c2c(C)nn(C)c2nc2cc(Cl)ccc21 ZINC000001726040 201518049 /nfs/dbraw/zinc/51/80/49/201518049.db2.gz GCNZICCXINVHIQ-UHFFFAOYSA-N 1 0 345.878 3.837 40 0 EHABRO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000072369808 203208905 /nfs/dbraw/zinc/20/89/05/203208905.db2.gz GSCWYGIMEOJJDD-IBGZPJMESA-N 1 0 336.483 3.683 40 0 EHABRO Cc1nccn1-c1cncc([C@H]2CCC[N@H+](Cc3cccc(C)c3)C2)n1 ZINC000072355459 203204730 /nfs/dbraw/zinc/20/47/30/203204730.db2.gz RNKSFARSRULMSJ-IBGZPJMESA-N 1 0 347.466 3.659 40 0 EHABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](Cc3cccs3)C2)on1 ZINC000072396691 203213180 /nfs/dbraw/zinc/21/31/80/203213180.db2.gz ZMXARGNXLWMILA-LBPRGKRZSA-N 1 0 346.481 3.943 40 0 EHABRO Cc1ccc(-c2cccc(C[C@]3(C(=O)NC(C)C)CC[NH2+]C3)c2)cc1 ZINC000072391946 203213991 /nfs/dbraw/zinc/21/39/91/203213991.db2.gz KHKAIXCBZTVWJY-JOCHJYFZSA-N 1 0 336.479 3.709 40 0 EHABRO Cc1ncc(-c2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)ccn2)n1C ZINC000257273113 244383343 /nfs/dbraw/zinc/38/33/43/244383343.db2.gz NFIBEFOZYVFHFW-IBGZPJMESA-N 1 0 333.439 3.523 40 0 EHABRO CC[C@@H]1[C@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)C[C@@H]1O ZINC000102063712 204030214 /nfs/dbraw/zinc/03/02/14/204030214.db2.gz WBWWKIRERSPQIP-TUFLPTIASA-N 1 0 341.451 3.867 40 0 EHABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169840 204370011 /nfs/dbraw/zinc/37/00/11/204370011.db2.gz GUWFINXBUWWQLW-SFHVURJKSA-N 1 0 349.434 3.659 40 0 biogenic,in-vitro EHABRO CC[NH+](CC)CCO[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000004769419 257911395 /nfs/dbraw/zinc/91/13/95/257911395.db2.gz OFVKGYAZUDNNGS-HSZRJFAPSA-N 1 0 331.481 3.798 40 0 EHABRO CC(=O)N1CC[N@H+](Cc2cccc3cccnc32)C[C@H]1c1ccccc1 ZINC000257246524 534794332 /nfs/dbraw/zinc/79/43/32/534794332.db2.gz IUMJHEDISPYAIW-NRFANRHFSA-N 1 0 345.446 3.640 40 0 EHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCCCCC1 ZINC000000212245 563261120 /nfs/dbraw/zinc/26/11/20/563261120.db2.gz AMOVUYFZCHTGNU-QGZVFWFLSA-N 1 0 334.891 3.955 40 0 EHABRO O=C(NCc1ccccc1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000001675088 563402082 /nfs/dbraw/zinc/40/20/82/563402082.db2.gz DPMIPKAMLXKZFX-UHFFFAOYSA-N 1 0 347.462 3.696 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccc(C)cc1)C1CCCCC1 ZINC000001710825 563406106 /nfs/dbraw/zinc/40/61/06/563406106.db2.gz XAJLHVCJQBUMBE-OAQYLSRUSA-N 1 0 347.499 3.648 40 0 EHABRO c1ccc2[nH]c(C3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000035315400 563559660 /nfs/dbraw/zinc/55/96/60/563559660.db2.gz JBPGIOITWVOGBS-MRXNPFEDSA-N 1 0 349.434 3.582 40 0 EHABRO COc1ccc([C@H](Cc2ccc(Cl)c(Cl)c2)[NH2+]CCO)cc1 ZINC000006484489 563569218 /nfs/dbraw/zinc/56/92/18/563569218.db2.gz OOMIHTWYYRQDSH-KRWDZBQOSA-N 1 0 340.250 3.868 40 0 EHABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1Cl ZINC000007970917 563618294 /nfs/dbraw/zinc/61/82/94/563618294.db2.gz CPALOLVPRHYJIS-UHFFFAOYSA-N 1 0 325.909 3.811 40 0 EHABRO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044912757 563928277 /nfs/dbraw/zinc/92/82/77/563928277.db2.gz BAKGSSKRDQSLGS-FXAWDEMLSA-N 1 0 334.463 3.876 40 0 EHABRO O=C(Cc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374556 563929600 /nfs/dbraw/zinc/92/96/00/563929600.db2.gz BETHWCDASVMETK-UHFFFAOYSA-N 1 0 342.870 3.795 40 0 EHABRO c1cncc(OCC[C@@H]2CCOC23CC[NH+](CC2CCC2)CC3)c1 ZINC000585105354 563971533 /nfs/dbraw/zinc/97/15/33/563971533.db2.gz UXJLEXRKNHJNIT-GOSISDBHSA-N 1 0 330.472 3.522 40 0 EHABRO O=C1CCC[C@@H]2[C@H](C[C@H](Cc3ccccc3)[N@@H+]2Cc2ccccc2)N1 ZINC000095951730 563977819 /nfs/dbraw/zinc/97/78/19/563977819.db2.gz SKACCVNMLKOCDM-PCCBWWKXSA-N 1 0 334.463 3.541 40 0 EHABRO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096047007 563978218 /nfs/dbraw/zinc/97/82/18/563978218.db2.gz FWPXDBYSDBQHQI-GOSISDBHSA-N 1 0 346.521 3.938 40 0 EHABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2cccnc2)CC3)c1 ZINC000096049441 563978439 /nfs/dbraw/zinc/97/84/39/563978439.db2.gz OSHCMJJIAUSIGU-UHFFFAOYSA-N 1 0 349.478 3.547 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1nccs1)CC2 ZINC000096051554 563978568 /nfs/dbraw/zinc/97/85/68/563978568.db2.gz CMMQWHXQIXEKDC-MRXNPFEDSA-N 1 0 331.485 3.613 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096051150 563978589 /nfs/dbraw/zinc/97/85/89/563978589.db2.gz GJPYKGKKZHMWLY-SFHVURJKSA-N 1 0 347.409 3.721 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)s1 ZINC000096056617 563978707 /nfs/dbraw/zinc/97/87/07/563978707.db2.gz CFFZFVBUMMZHQZ-QZTJIDSGSA-N 1 0 326.465 3.826 40 0 EHABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3nccs3)C[C@@H]21 ZINC000096058319 563978757 /nfs/dbraw/zinc/97/87/57/563978757.db2.gz UDPIPYJJZFPSDE-LNLFQRSKSA-N 1 0 327.497 3.754 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)o1 ZINC000096061333 563978897 /nfs/dbraw/zinc/97/88/97/563978897.db2.gz VZWVBGCMXPSUAV-IBGZPJMESA-N 1 0 338.451 3.569 40 0 EHABRO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccn2)C3)cs1 ZINC000096109270 563979265 /nfs/dbraw/zinc/97/92/65/563979265.db2.gz MEBJKDWXDGFROY-APWZRJJASA-N 1 0 343.496 3.665 40 0 EHABRO Clc1ccc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245638 563980612 /nfs/dbraw/zinc/98/06/12/563980612.db2.gz ILRZCRYIGAUDLG-OALUTQOASA-N 1 0 326.871 3.904 40 0 EHABRO C[N@@H+]1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585263362 563981016 /nfs/dbraw/zinc/98/10/16/563981016.db2.gz WZKJNWKTPWFEOT-CYBMUJFWSA-N 1 0 326.831 3.859 40 0 EHABRO Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289322 563982017 /nfs/dbraw/zinc/98/20/17/563982017.db2.gz PQBAQBPLBFRPRZ-PWRODBHTSA-N 1 0 343.442 3.927 40 0 EHABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000585289286 563982041 /nfs/dbraw/zinc/98/20/41/563982041.db2.gz HHMBRRQTYCCHRC-XUVXKRRUSA-N 1 0 345.870 3.833 40 0 EHABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000585288573 563982070 /nfs/dbraw/zinc/98/20/70/563982070.db2.gz FAWYGEZJKHEPPK-IPMKNSEASA-N 1 0 349.833 3.930 40 0 EHABRO C[C@H]1CCc2c(sc3nc(C(C)(C)C)nc(N4CC[NH2+]CC4)c23)C1 ZINC000004910662 563992420 /nfs/dbraw/zinc/99/24/20/563992420.db2.gz PIIXAPBAWUQZCF-LBPRGKRZSA-N 1 0 344.528 3.523 40 0 EHABRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccco2)CC1 ZINC000601032716 564001900 /nfs/dbraw/zinc/00/19/00/564001900.db2.gz AFTQVAQNGJXATO-UHFFFAOYSA-N 1 0 326.440 3.730 40 0 in-vitro EHABRO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCc2ccccc21 ZINC000009062717 564016565 /nfs/dbraw/zinc/01/65/65/564016565.db2.gz ISWBEOPHUCSWRD-UHFFFAOYSA-N 1 0 338.426 3.627 40 0 EHABRO CCOc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4CC)c2c1 ZINC000011616787 564017742 /nfs/dbraw/zinc/01/77/42/564017742.db2.gz SUWZHLCNFQWNPE-YJPXFSGGSA-N 1 0 340.467 3.787 40 0 in-vitro EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(Cl)cc1F ZINC000224663914 564043414 /nfs/dbraw/zinc/04/34/14/564043414.db2.gz QTFNLHQBHHVDKL-INIZCTEOSA-N 1 0 340.870 3.792 40 0 EHABRO Cc1cc(NCCNC(=S)Nc2ccccc2)c2ccccc2[nH+]1 ZINC000225232052 564045491 /nfs/dbraw/zinc/04/54/91/564045491.db2.gz DLWHBIFAZWDWOQ-UHFFFAOYSA-N 1 0 336.464 3.942 40 0 EHABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225647411 564048944 /nfs/dbraw/zinc/04/89/44/564048944.db2.gz CMVYJQCFMPTZNL-INIZCTEOSA-N 1 0 348.487 3.693 40 0 EHABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000225672421 564049257 /nfs/dbraw/zinc/04/92/57/564049257.db2.gz UKIBQIVERVKYQO-HXUWFJFHSA-N 1 0 348.487 3.551 40 0 EHABRO CNc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2scnc2C)n1 ZINC000257302106 564055072 /nfs/dbraw/zinc/05/50/72/564055072.db2.gz SBOMVIBNZZAMGX-INIZCTEOSA-N 1 0 330.501 3.876 40 0 EHABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](C4CCOCC4)[C@@H]3C[C@H]21 ZINC000257312757 564055321 /nfs/dbraw/zinc/05/53/21/564055321.db2.gz UPJSQRGZDVFYOC-LFGUQSLTSA-N 1 0 343.467 3.557 40 0 EHABRO c1ccc(C[N@@H+]2CC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000257344972 564055797 /nfs/dbraw/zinc/05/57/97/564055797.db2.gz ZZKUKARTKAWLBB-QGZVFWFLSA-N 1 0 331.423 3.605 40 0 EHABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccoc4)C2)C3)cc1 ZINC000306131211 564062143 /nfs/dbraw/zinc/06/21/43/564062143.db2.gz JYRBGMJZPPQNRI-FQEVSTJZSA-N 1 0 337.398 3.731 40 0 EHABRO Fc1ccc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)cc1 ZINC000306129489 564062208 /nfs/dbraw/zinc/06/22/08/564062208.db2.gz IESPOGISSLPVGL-RBUKOAKNSA-N 1 0 347.437 3.994 40 0 EHABRO Cc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329025232 564071667 /nfs/dbraw/zinc/07/16/67/564071667.db2.gz PESBYNRHFWBYRU-UHFFFAOYSA-N 1 0 336.483 3.863 40 0 EHABRO CC[C@H](C)Nc1nc(NCc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329054175 564071989 /nfs/dbraw/zinc/07/19/89/564071989.db2.gz VJYIVFJUADVYBE-LBPRGKRZSA-N 1 0 330.863 3.674 40 0 EHABRO O[C@H](C[N@@H+]1CCC[C@H](COc2ccccc2F)C1)c1cccs1 ZINC000247793939 564124498 /nfs/dbraw/zinc/12/44/98/564124498.db2.gz QCNGGSIXHAHXHM-GOEBONIOSA-N 1 0 335.444 3.712 40 0 EHABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000253602795 564124700 /nfs/dbraw/zinc/12/47/00/564124700.db2.gz RVWHIDJMYMUWOP-SJLPKXTDSA-N 1 0 337.467 3.854 40 0 EHABRO CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695717 564128051 /nfs/dbraw/zinc/12/80/51/564128051.db2.gz ANRUPQADYAPJMT-IBGZPJMESA-N 1 0 332.463 3.971 40 0 EHABRO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000079438502 1030921238 /nfs/dbraw/zinc/92/12/38/1030921238.db2.gz FBHMIRRWYJBWRH-OLZOCXBDSA-N 1 0 325.478 3.583 40 0 EHABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306128667 1137871339 /nfs/dbraw/zinc/87/13/39/1137871339.db2.gz HHUPPPUIGJYJJO-OALUTQOASA-N 1 0 344.462 3.558 40 0 EHABRO CC[NH+](CC)CCNc1ncc(-c2ccco2)c(-c2ccco2)n1 ZINC000012253096 201835614 /nfs/dbraw/zinc/83/56/14/201835614.db2.gz FGOJKTZOYLZMRJ-UHFFFAOYSA-N 1 0 326.400 3.750 40 0 EHABRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc3c2OCC3)C1 ZINC000003781602 210074492 /nfs/dbraw/zinc/07/44/92/210074492.db2.gz SKMVRXPBCSTNKE-MRXNPFEDSA-N 1 0 329.827 3.600 40 0 in-man EHABRO Cc1ncsc1-c1nnc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000019562832 202011101 /nfs/dbraw/zinc/01/11/01/202011101.db2.gz KSGZSCNVSIMTSZ-OAHLLOKOSA-N 1 0 340.452 3.881 40 0 EHABRO CC(=O)Nc1ccc(Oc2cc(C)nc(C3CC[NH2+]CC3)c2)cc1 ZINC000019570427 202014114 /nfs/dbraw/zinc/01/41/14/202014114.db2.gz NNFGKUHJALXDAR-UHFFFAOYSA-N 1 0 325.412 3.608 40 0 EHABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCSC)c(C)c1C ZINC000019577398 202014158 /nfs/dbraw/zinc/01/41/58/202014158.db2.gz MUJHPKUNCORXJF-OALUTQOASA-N 1 0 348.556 3.714 40 0 EHABRO CNc1cc(C2CC[NH+](C3CCCC3)CC2)nc(-c2ccncc2)n1 ZINC000019592293 202015063 /nfs/dbraw/zinc/01/50/63/202015063.db2.gz AGBGIEKONDAJJX-UHFFFAOYSA-N 1 0 337.471 3.702 40 0 EHABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1 ZINC000019719499 202016477 /nfs/dbraw/zinc/01/64/77/202016477.db2.gz XTNNLDVMCJLURD-FQEVSTJZSA-N 1 0 349.482 3.842 40 0 EHABRO O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030938384 202202005 /nfs/dbraw/zinc/20/20/05/202202005.db2.gz KXNMCLNAZOUVHG-CQSZACIVSA-N 1 0 348.368 3.955 40 0 EHABRO O=C(OCc1ccccc1F)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072202909 216069390 /nfs/dbraw/zinc/06/93/90/216069390.db2.gz RDJSCQRMOKEUJV-INIZCTEOSA-N 1 0 345.389 3.920 40 0 EHABRO Cc1nccn1-c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000216341844 241184363 /nfs/dbraw/zinc/18/43/63/241184363.db2.gz QVQOCCBKPNLFDE-UHFFFAOYSA-N 1 0 339.826 3.693 40 0 EHABRO Cc1cc(C)cc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225726392 242005384 /nfs/dbraw/zinc/00/53/84/242005384.db2.gz FYHNNORIXHVHPI-IAGOWNOFSA-N 1 0 333.545 3.958 40 0 EHABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000225736559 242013218 /nfs/dbraw/zinc/01/32/18/242013218.db2.gz JGIIHXXFSVPOGC-LBPRGKRZSA-N 1 0 343.899 3.888 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cc1 ZINC000072378695 203210601 /nfs/dbraw/zinc/21/06/01/203210601.db2.gz DRNOBJIIXCCZKN-FQEVSTJZSA-N 1 0 348.450 3.921 40 0 EHABRO Fc1cccc(Cc2cnc([C@H]3CC[N@H+](Cc4cncs4)C3)o2)c1 ZINC000257236794 244232800 /nfs/dbraw/zinc/23/28/00/244232800.db2.gz HDVBVXGQQCYLIV-AWEZNQCLSA-N 1 0 343.427 3.851 40 0 EHABRO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072355515 203204707 /nfs/dbraw/zinc/20/47/07/203204707.db2.gz VFQCJRQDTKIZSR-INIZCTEOSA-N 1 0 339.487 3.908 40 0 EHABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072355452 203205013 /nfs/dbraw/zinc/20/50/13/203205013.db2.gz QUZOKZKHEACNDN-GOSISDBHSA-N 1 0 347.466 3.604 40 0 EHABRO C[N@H+](Cc1ccccc1)Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392336 203213027 /nfs/dbraw/zinc/21/30/27/203213027.db2.gz AQJBOJMTOUSUKQ-UHFFFAOYSA-N 1 0 347.397 3.562 40 0 EHABRO c1cc(-c2nnc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)o2)ccn1 ZINC000072389958 203213938 /nfs/dbraw/zinc/21/39/38/203213938.db2.gz BOOMWOMJLBSSAA-KRWDZBQOSA-N 1 0 326.444 3.891 40 0 EHABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389964 203213964 /nfs/dbraw/zinc/21/39/64/203213964.db2.gz MAYKABIKCWYXKU-MRXNPFEDSA-N 1 0 338.386 3.650 40 0 EHABRO C[C@@H]([NH2+][C@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 ZINC000073257557 203261337 /nfs/dbraw/zinc/26/13/37/203261337.db2.gz QPOBRHWTGGAIQD-NJJRTNTQSA-N 1 0 326.484 3.798 40 0 EHABRO CC(C)n1nccc1-c1cnc(C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257280026 244403780 /nfs/dbraw/zinc/40/37/80/244403780.db2.gz OJDVPEOPCJZNKI-MRXNPFEDSA-N 1 0 327.476 3.584 40 0 EHABRO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257338485 244567461 /nfs/dbraw/zinc/56/74/61/244567461.db2.gz YXQAUFNVIJQGNA-SFHVURJKSA-N 1 0 347.466 3.565 40 0 EHABRO C[NH+](C)CCNc1nc(NCc2ccccc2)cc(-c2ccccc2)n1 ZINC000244263014 205107224 /nfs/dbraw/zinc/10/72/24/205107224.db2.gz WNRFNXVTIWEIJD-UHFFFAOYSA-N 1 0 347.466 3.729 40 0 EHABRO CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225900861 536482456 /nfs/dbraw/zinc/48/24/56/536482456.db2.gz UYUQARMWOOHKCZ-LJQANCHMSA-N 1 0 340.442 3.696 40 0 EHABRO Cc1cccc(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000408605938 563495782 /nfs/dbraw/zinc/49/57/82/563495782.db2.gz HQLGZNGYPJWHCH-NRFANRHFSA-N 1 0 334.463 3.658 40 0 EHABRO Cc1cc2cc3c(cc2nc1SCC[NH+]1CCCCC1)OCCO3 ZINC000004858658 563513783 /nfs/dbraw/zinc/51/37/83/563513783.db2.gz VGMUYOYHJSNUON-UHFFFAOYSA-N 1 0 344.480 3.892 40 0 EHABRO CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000035289755 563549139 /nfs/dbraw/zinc/54/91/39/563549139.db2.gz VRHZFNLPCYSORB-ZNXRZULTSA-N 1 0 327.472 3.918 40 0 EHABRO COc1cc2cc(C)c(SCC[NH+]3CCCC3)nc2cc1OC ZINC000035315957 563559604 /nfs/dbraw/zinc/55/96/04/563559604.db2.gz IYEYADGMOVJMDT-UHFFFAOYSA-N 1 0 332.469 3.748 40 0 EHABRO C[N@@H+]1CCC[C@H](CNC(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000009876188 563645138 /nfs/dbraw/zinc/64/51/38/563645138.db2.gz GDDCPOIVCGVKDB-SNVBAGLBSA-N 1 0 332.300 3.622 40 0 EHABRO COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cccc(C)n2)c1 ZINC000012085266 563653134 /nfs/dbraw/zinc/65/31/34/563653134.db2.gz PJFBBRGAHXJKKO-YRISNDGFSA-N 1 0 338.451 3.831 40 0 EHABRO Cn1cncc1CN(Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116752 563653880 /nfs/dbraw/zinc/65/38/80/563653880.db2.gz HKSDYJKNQVOVGU-UHFFFAOYSA-N 1 0 340.515 3.732 40 0 EHABRO Cc1ccsc1C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccccc32)C1 ZINC000012119175 563654001 /nfs/dbraw/zinc/65/40/01/563654001.db2.gz DJFIOMPWARTBOP-CQSZACIVSA-N 1 0 328.437 3.802 40 0 EHABRO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1cc(=O)[nH]c2ccccc12 ZINC000012188474 563655906 /nfs/dbraw/zinc/65/59/06/563655906.db2.gz WNPNJMDXKRLCGE-UHFFFAOYSA-N 1 0 338.455 3.967 40 0 EHABRO c1coc(-c2nc(NCC[NH+]3CCCCC3)ncc2-c2ccncc2)c1 ZINC000012338403 563658500 /nfs/dbraw/zinc/65/85/00/563658500.db2.gz NPHIJBKKMKOULI-UHFFFAOYSA-N 1 0 349.438 3.696 40 0 EHABRO CC1CC[NH+](CCCNC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000013646812 563706725 /nfs/dbraw/zinc/70/67/25/563706725.db2.gz CBFFGPBJFBFNEN-UHFFFAOYSA-N 1 0 340.920 3.670 40 0 EHABRO O=C(NCC[NH+]1CCCCC1)c1ccccc1CCc1ccccc1 ZINC000013688452 563711554 /nfs/dbraw/zinc/71/15/54/563711554.db2.gz NRFNBKKMFWILFJ-UHFFFAOYSA-N 1 0 336.479 3.688 40 0 EHABRO c1ccc(C[N@H+](Cc2ccnc(-c3cccnc3)n2)C2CCCC2)nc1 ZINC000019401409 563855828 /nfs/dbraw/zinc/85/58/28/563855828.db2.gz MVRPGGWVASXGQU-UHFFFAOYSA-N 1 0 345.450 3.878 40 0 EHABRO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044912754 563928257 /nfs/dbraw/zinc/92/82/57/563928257.db2.gz BAKGSSKRDQSLGS-YLJYHZDGSA-N 1 0 334.463 3.876 40 0 EHABRO CC(C)CC[N@@H+]1CCC[C@]2(CCCN2C(=O)c2ccn(C)c2)CC1 ZINC000585100501 563971354 /nfs/dbraw/zinc/97/13/54/563971354.db2.gz LMBQXCRITYDECI-FQEVSTJZSA-N 1 0 331.504 3.532 40 0 EHABRO CC[C@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(C)o3)[C@H]2C1 ZINC000585109716 563971635 /nfs/dbraw/zinc/97/16/35/563971635.db2.gz LHQCMVDYADQNEO-HKVPTBLXSA-N 1 0 338.451 3.887 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)o1 ZINC000096051129 563978608 /nfs/dbraw/zinc/97/86/08/563978608.db2.gz NHGCNILBAFZGAW-GOSISDBHSA-N 1 0 347.409 3.721 40 0 EHABRO C[NH+](C)[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 ZINC000096079181 563979096 /nfs/dbraw/zinc/97/90/96/563979096.db2.gz WXRDWCNCWNRYEA-GOSISDBHSA-N 1 0 340.492 3.929 40 0 EHABRO COc1ccc2c(c1)C1(CCN(Cc3ccc(C)o3)CC1)[N@@H+](C)CC2 ZINC000096100213 563979151 /nfs/dbraw/zinc/97/91/51/563979151.db2.gz QFHMWGYEPQCIOU-UHFFFAOYSA-N 1 0 340.467 3.576 40 0 EHABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)o1 ZINC000096100305 563979200 /nfs/dbraw/zinc/97/92/00/563979200.db2.gz KHIMWCSBWKUTGE-NRFANRHFSA-N 1 0 338.451 3.734 40 0 EHABRO Cc1cccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC000096159274 563979796 /nfs/dbraw/zinc/97/97/96/563979796.db2.gz DNVSGWDSNPFBOO-UHFFFAOYSA-N 1 0 336.483 3.666 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)s1 ZINC000096202931 563980175 /nfs/dbraw/zinc/98/01/75/563980175.db2.gz ZPINMARRYDVBKU-UHFFFAOYSA-N 1 0 344.455 3.825 40 0 EHABRO FCCN1CCC2(CC1)C[C@@H]([NH2+]Cc1ccoc1)c1ccccc1O2 ZINC000096242731 563980582 /nfs/dbraw/zinc/98/05/82/563980582.db2.gz LWSHMZKXASYVGM-GOSISDBHSA-N 1 0 344.430 3.697 40 0 EHABRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 ZINC000585289218 563981980 /nfs/dbraw/zinc/98/19/80/563981980.db2.gz ODFULWQYMIDJBV-XUVXKRRUSA-N 1 0 329.415 3.585 40 0 EHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000100750200 563982746 /nfs/dbraw/zinc/98/27/46/563982746.db2.gz DHPDZUDBBCOSQP-JZXOWHBKSA-N 1 0 331.504 3.653 40 0 EHABRO CC(C)c1nc2ccccc2n1C[C@H](O)COc1ccc(F)cc1 ZINC000000787273 563998140 /nfs/dbraw/zinc/99/81/40/563998140.db2.gz VTZIJXZJUWFNDJ-HNNXBMFYSA-N 1 0 328.387 3.739 40 0 EHABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(F)cc1)C2 ZINC000004886888 564005485 /nfs/dbraw/zinc/00/54/85/564005485.db2.gz KBHFRRYUNKYKLW-ALOPSCKCSA-N 1 0 335.492 3.908 40 0 EHABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1cccs1 ZINC000008254750 564016018 /nfs/dbraw/zinc/01/60/18/564016018.db2.gz NBBFJKGVFWHOND-MRXNPFEDSA-N 1 0 347.480 3.994 40 0 EHABRO C[NH+](C)CCNC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225403659 564046439 /nfs/dbraw/zinc/04/64/39/564046439.db2.gz OURVSJJDIXRQNV-UHFFFAOYSA-N 1 0 345.537 3.827 40 0 EHABRO CO[C@@H]1CCCOC12CC[NH+](Cc1c(C)[nH]c3ccc(F)cc31)CC2 ZINC000257298462 564055045 /nfs/dbraw/zinc/05/50/45/564055045.db2.gz RLSYRZPQVKLKKQ-LJQANCHMSA-N 1 0 346.446 3.775 40 0 EHABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257316489 564055324 /nfs/dbraw/zinc/05/53/24/564055324.db2.gz VFVOXXXNWQSWQP-SFHVURJKSA-N 1 0 333.439 3.555 40 0 EHABRO c1ccc(CNc2ncc3c(n2)CC[C@@H]([NH2+]Cc2ccccc2)C3)cc1 ZINC000306134206 564062252 /nfs/dbraw/zinc/06/22/52/564062252.db2.gz NFSRYWWHHLQYPN-HXUWFJFHSA-N 1 0 344.462 3.736 40 0 EHABRO CC(C)c1cc(N2CCc3ccccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329026511 564071663 /nfs/dbraw/zinc/07/16/63/564071663.db2.gz PMKJUDCFRIZZGF-UHFFFAOYSA-N 1 0 336.483 3.939 40 0 EHABRO CCOc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000005152307 564093206 /nfs/dbraw/zinc/09/32/06/564093206.db2.gz NMPNOSZYRMFPJK-UHFFFAOYSA-N 1 0 331.460 3.568 40 0 EHABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000248197130 564124544 /nfs/dbraw/zinc/12/45/44/564124544.db2.gz QVXKEBHZHCZKIR-NJAFHUGGSA-N 1 0 341.499 3.986 40 0 EHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc2ncccc12 ZINC000019712490 564128062 /nfs/dbraw/zinc/12/80/62/564128062.db2.gz RGXGNRBVHBQZHR-RTWAWAEBSA-N 1 0 337.467 3.600 40 0 EHABRO COc1ccccc1C[NH2+]CCc1cc(OC)c(SC)cc1OC ZINC000095726642 564141845 /nfs/dbraw/zinc/14/18/45/564141845.db2.gz ZWPIZVVOKGWMFW-UHFFFAOYSA-N 1 0 347.480 3.767 40 0 in-vitro EHABRO F[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1OCc1nc2ccccc2o1 ZINC000096112089 564145396 /nfs/dbraw/zinc/14/53/96/564145396.db2.gz RJBMRRLNAIAWGT-QAPCUYQASA-N 1 0 332.419 3.947 40 0 biogenic,in-vitro EHABRO Cc1c2ccccc2[nH]c1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000012205009 201832331 /nfs/dbraw/zinc/83/23/31/201832331.db2.gz TVQSJVRIVVZNNU-GJZGRUSLSA-N 1 0 327.472 3.574 40 0 EHABRO O=C1CCCN1C[C@H]1CCC[N@@H+](CC2(c3ccc(Cl)cc3)CC2)C1 ZINC000012241535 201833715 /nfs/dbraw/zinc/83/37/15/201833715.db2.gz YQCHPNQKFOWKEX-INIZCTEOSA-N 1 0 346.902 3.706 40 0 EHABRO COc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC ZINC000012366542 201841584 /nfs/dbraw/zinc/84/15/84/201841584.db2.gz RPHNLIQHRMSVOS-MAUKXSAKSA-N 1 0 344.455 3.810 40 0 EHABRO Cc1ccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 ZINC000012668895 201860156 /nfs/dbraw/zinc/86/01/56/201860156.db2.gz AQGXENWGLKLVJI-UHFFFAOYSA-N 1 0 334.423 3.820 40 0 EHABRO COc1cc2c(cc1OC)[C@@H](C(C)C)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216043 202001679 /nfs/dbraw/zinc/00/16/79/202001679.db2.gz OHABRYADXFKCPC-YLJYHZDGSA-N 1 0 326.440 3.991 40 0 EHABRO CCC(CC)C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000019500229 202008652 /nfs/dbraw/zinc/00/86/52/202008652.db2.gz SJBRTAGQSRPBBE-GUDVDZBRSA-N 1 0 332.463 3.651 40 0 EHABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](CC3CCCCC3)C2)no1 ZINC000019503658 202010401 /nfs/dbraw/zinc/01/04/01/202010401.db2.gz QXJJQDGTYMUGDP-MRXNPFEDSA-N 1 0 333.476 3.574 40 0 EHABRO CCc1ccccc1O[C@H](C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030755380 202198664 /nfs/dbraw/zinc/19/86/64/202198664.db2.gz YRJJWKDSGMBZPK-FGTMMUONSA-N 1 0 346.515 3.501 40 0 EHABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000073642245 202369756 /nfs/dbraw/zinc/36/97/56/202369756.db2.gz MYWXDIUKSWPYLF-UHFFFAOYSA-N 1 0 334.206 3.655 40 0 EHABRO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848776 202408075 /nfs/dbraw/zinc/40/80/75/202408075.db2.gz IJUYIHBUOMJUHO-IBGZPJMESA-N 1 0 340.442 3.663 40 0 EHABRO [NH3+][C@H](c1cccc(F)c1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000255190557 201188653 /nfs/dbraw/zinc/18/86/53/201188653.db2.gz XZGSYVJDMPZXTO-IBGZPJMESA-N 1 0 342.414 3.874 40 0 EHABRO Cc1cccc(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000002696083 201359528 /nfs/dbraw/zinc/35/95/28/201359528.db2.gz IPRXKSXCCAMYFX-OAQYLSRUSA-N 1 0 339.479 3.689 40 0 EHABRO CC(C)[C@@H]([NH3+])c1nnc2ccc(-c3ccc(Cl)cc3Cl)nn21 ZINC000217565169 241259598 /nfs/dbraw/zinc/25/95/98/241259598.db2.gz ZKOOMXQFWQDHEL-CQSZACIVSA-N 1 0 336.226 3.754 40 0 EHABRO CC[NH+](CC)CCC[C@@H](C)Nc1ncnc2ncc3c(c21)CCCC3 ZINC000002031930 201524665 /nfs/dbraw/zinc/52/46/65/201524665.db2.gz VYLVEXRCWZRAFK-OAHLLOKOSA-N 1 0 341.503 3.826 40 0 EHABRO C[C@]1(COc2ccccc2)C[C@@H]2C[N@H+](Cc3cncs3)CC[C@@H]2O1 ZINC000257237443 244233203 /nfs/dbraw/zinc/23/32/03/244233203.db2.gz HGMJQRFCEDBLQR-AYOQOUSVSA-N 1 0 344.480 3.592 40 0 EHABRO Cc1cccnc1Nc1cncc([C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000072354315 203205442 /nfs/dbraw/zinc/20/54/42/203205442.db2.gz IGZYSWZSLYMLKI-INIZCTEOSA-N 1 0 325.460 3.759 40 0 EHABRO Clc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389920 203213396 /nfs/dbraw/zinc/21/33/96/203213396.db2.gz RTKIMRSEPVOONV-OAHLLOKOSA-N 1 0 340.814 3.775 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000049169864 204369936 /nfs/dbraw/zinc/36/99/36/204369936.db2.gz FMFPJOVTWJOTHQ-IBGZPJMESA-N 1 0 333.435 3.958 40 0 biogenic,in-vitro EHABRO O=C(CC[N@@H+]1CCN2c3ccccc3CC[C@H]2C1)c1ccc(F)cc1 ZINC000053073943 132185700 /nfs/dbraw/zinc/18/57/00/132185700.db2.gz DOHBWZBXSGIRIR-IBGZPJMESA-N 1 0 338.426 3.536 40 0 EHABRO COc1ccc(C)cc1C[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012330681 518147854 /nfs/dbraw/zinc/14/78/54/518147854.db2.gz RJTBYWKMUDJFBV-UHFFFAOYSA-N 1 0 325.452 3.796 40 0 EHABRO CCOCCC[NH2+]CC(=O)N1c2ccc(C)cc2[C@H](C)CC1(C)C ZINC000035311383 535549568 /nfs/dbraw/zinc/54/95/68/535549568.db2.gz TUSALLPUDRWVNT-MRXNPFEDSA-N 1 0 332.488 3.630 40 0 EHABRO FC(F)(F)c1cc(N2CCC[NH2+]CC2)c2cc(Cl)ccc2n1 ZINC000002243382 563427628 /nfs/dbraw/zinc/42/76/28/563427628.db2.gz MVHUZKMYTQZJPU-UHFFFAOYSA-N 1 0 329.753 3.707 40 0 EHABRO CC[NH+](CC)CC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000003643765 563487370 /nfs/dbraw/zinc/48/73/70/563487370.db2.gz MPIZHXYXPMULTR-LJQANCHMSA-N 1 0 346.858 3.702 40 0 EHABRO C[C@H]1C[C@H](OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC(C)(C)C1 ZINC000005073898 563520881 /nfs/dbraw/zinc/52/08/81/563520881.db2.gz QUUUPSHLTILKRI-DBVUQKKJSA-N 1 0 331.500 3.637 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)C1CCCCC1 ZINC000006382244 563566595 /nfs/dbraw/zinc/56/65/95/563566595.db2.gz GCSXQKJRCSGYPB-ZWKOTPCHSA-N 1 0 337.504 3.827 40 0 EHABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1Cl ZINC000007970914 563618366 /nfs/dbraw/zinc/61/83/66/563618366.db2.gz PSLNMJUVKPBVTK-UHFFFAOYSA-N 1 0 329.872 3.642 40 0 EHABRO COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cccc(C)n2)cc1 ZINC000012085387 563653180 /nfs/dbraw/zinc/65/31/80/563653180.db2.gz BSNRKKGJMWTHSA-YRISNDGFSA-N 1 0 338.451 3.831 40 0 EHABRO COc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)cc1 ZINC000012122115 563654238 /nfs/dbraw/zinc/65/42/38/563654238.db2.gz QXXCJADUNDUFOY-UHFFFAOYSA-N 1 0 339.435 3.639 40 0 EHABRO Cc1cc2nc([C@@H]3CCC[N@@H+](C[C@@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000012667446 563667465 /nfs/dbraw/zinc/66/74/65/563667465.db2.gz FFJUBRKZDFQDBJ-CRAIPNDOSA-N 1 0 349.482 3.603 40 0 EHABRO Cc1cc(C)cc(CSCC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000013648245 563706806 /nfs/dbraw/zinc/70/68/06/563706806.db2.gz HWFBFXLCCHGOOA-UHFFFAOYSA-N 1 0 348.556 3.775 40 0 EHABRO C[NH+](C)CCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000013673388 563709752 /nfs/dbraw/zinc/70/97/52/563709752.db2.gz NEXNHHUHYYWQLG-SAPNQHFASA-N 1 0 328.843 3.558 40 0 EHABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC(C)(C)C ZINC000019082725 563853504 /nfs/dbraw/zinc/85/35/04/563853504.db2.gz JZHLZTXHTAXVDW-ZHALLVOQSA-N 1 0 332.463 3.651 40 0 EHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc3c(cc2Cl)OCO3)on1 ZINC000019120532 563853972 /nfs/dbraw/zinc/85/39/72/563853972.db2.gz HFHFTKYCTVOIHP-BLLLJJGKSA-N 1 0 348.830 3.866 40 0 EHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000046374495 563929597 /nfs/dbraw/zinc/92/95/97/563929597.db2.gz CZCYYDPKFDDEPZ-UHFFFAOYSA-N 1 0 328.843 3.866 40 0 EHABRO Fc1ccc2nc(C(F)(F)F)cc(N3CCCC[NH2+]CC3)c2c1 ZINC000064220278 563956683 /nfs/dbraw/zinc/95/66/83/563956683.db2.gz IOXKTANKRIEZHZ-UHFFFAOYSA-N 1 0 327.325 3.583 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)o1 ZINC000096050569 563978411 /nfs/dbraw/zinc/97/84/11/563978411.db2.gz VDBOJIMCTRWGRT-NRFANRHFSA-N 1 0 338.451 3.521 40 0 EHABRO O=C1CCC2(CC[NH+](Cc3ccsc3)CC2)N1Cc1ccccc1 ZINC000096049413 563978414 /nfs/dbraw/zinc/97/84/14/563978414.db2.gz LTZHLAATKYTNFJ-UHFFFAOYSA-N 1 0 340.492 3.905 40 0 EHABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccccn2)CC3)c1 ZINC000096049440 563978448 /nfs/dbraw/zinc/97/84/48/563978448.db2.gz HYNWMELAPOANJG-UHFFFAOYSA-N 1 0 349.478 3.547 40 0 EHABRO c1cc(C[NH+]2CCC3(CO[C@H](COc4cccnc4)C3)CC2)cs1 ZINC000096106082 563979233 /nfs/dbraw/zinc/97/92/33/563979233.db2.gz UAJGLAVHAGDFRY-SFHVURJKSA-N 1 0 344.480 3.593 40 0 EHABRO CCC[NH+]1CCC(c2nc3ccc(NCc4ccccc4)cn3n2)CC1 ZINC000096155816 563979751 /nfs/dbraw/zinc/97/97/51/563979751.db2.gz IIFXUSCRDKNTNT-UHFFFAOYSA-N 1 0 349.482 3.931 40 0 EHABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000585288991 563981998 /nfs/dbraw/zinc/98/19/98/563981998.db2.gz CNNGDCOAWKSNHK-XUVXKRRUSA-N 1 0 345.870 3.833 40 0 EHABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000585288492 563982056 /nfs/dbraw/zinc/98/20/56/563982056.db2.gz BXBXAJNJKOPJRB-XUVXKRRUSA-N 1 0 345.870 3.833 40 0 EHABRO C=CC(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000585291229 563982101 /nfs/dbraw/zinc/98/21/01/563982101.db2.gz AARYYQOURVVVOK-INIZCTEOSA-N 1 0 336.439 3.729 40 0 EHABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000585288721 563982133 /nfs/dbraw/zinc/98/21/33/563982133.db2.gz ITOQNGSHJSZHIS-IPMKNSEASA-N 1 0 349.833 3.930 40 0 EHABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1 ZINC000006870158 564015169 /nfs/dbraw/zinc/01/51/69/564015169.db2.gz BFDLUGOROZWDOS-UHFFFAOYSA-N 1 0 336.391 3.808 40 0 EHABRO COCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 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EHABRO CC[NH+]1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000020192865 202035099 /nfs/dbraw/zinc/03/50/99/202035099.db2.gz FFUNCPDGSUPTDM-OAQYLSRUSA-N 1 0 334.467 3.598 40 0 EHABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000020482414 202045616 /nfs/dbraw/zinc/04/56/16/202045616.db2.gz ZJCOGXHJOUUZMF-MRXNPFEDSA-N 1 0 338.451 3.782 40 0 EHABRO C=Cn1cc(CN(Cc2cccs2)C[C@@H]2CCC[N@H+]2CC)c(C)n1 ZINC000036741274 202330079 /nfs/dbraw/zinc/33/00/79/202330079.db2.gz RQXLSBHMVALLJC-SFHVURJKSA-N 1 0 344.528 3.840 40 0 EHABRO c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3C[C@H]4CC[C@@H]3O4)n2)c1 ZINC000073335295 202370010 /nfs/dbraw/zinc/37/00/10/202370010.db2.gz RCFGNZPVCJDRMX-SQNIBIBYSA-N 1 0 339.439 3.757 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(OC)c(C)c1 ZINC000225883369 242069447 /nfs/dbraw/zinc/06/94/47/242069447.db2.gz LOQQNFFZRJMEDZ-LJQANCHMSA-N 1 0 346.515 3.707 40 0 EHABRO c1cn(-c2cccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)cn1 ZINC000072378698 203209946 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3.916 40 0 EHABRO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-c3ccncc3)nc2)no1 ZINC000049155512 204369739 /nfs/dbraw/zinc/36/97/39/204369739.db2.gz KBKPRNQIZALSLW-KRWDZBQOSA-N 1 0 335.411 3.739 40 0 biogenic,in-vitro EHABRO CC(C)c1ccc(OCCOC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000226170427 205116311 /nfs/dbraw/zinc/11/63/11/205116311.db2.gz OKDQYRMAQYYREX-WSTZPKSXSA-N 1 0 349.515 3.829 40 0 EHABRO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@H]3CCCC[C@H]32)cc1 ZINC000252515466 257659427 /nfs/dbraw/zinc/65/94/27/257659427.db2.gz KHCKVAHSJRUZNI-JSXRDJHFSA-N 1 0 328.500 3.731 40 0 EHABRO C[C@@H](CC(=O)c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000061860609 132435509 /nfs/dbraw/zinc/43/55/09/132435509.db2.gz IUUAHALRMYQMQD-INIZCTEOSA-N 1 0 326.415 3.609 40 0 EHABRO CCN(C(=O)C[NH+]1CCC2(COC(C)(C)C2)CC1)c1cccc(C)c1 ZINC000257248954 535662706 /nfs/dbraw/zinc/66/27/06/535662706.db2.gz JFZACNUIOFEULI-UHFFFAOYSA-N 1 0 344.499 3.629 40 0 EHABRO C[NH+]1CCC(N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213396 536340236 /nfs/dbraw/zinc/34/02/36/536340236.db2.gz CHKKSRHAGLSWMR-IBGZPJMESA-N 1 0 343.446 3.636 40 0 EHABRO CC[NH+](CC)Cc1cc(OC(=O)c2ccccc2)cc(C(=O)OC)c1 ZINC000001622049 563397440 /nfs/dbraw/zinc/39/74/40/563397440.db2.gz XVLGQEDNXHFAJZ-UHFFFAOYSA-N 1 0 341.407 3.534 40 0 EHABRO CC[N@@H+]1CCC[C@H]1CNc1ncc(-c2ccccn2)c(-c2ccco2)n1 ZINC000012222128 563656069 /nfs/dbraw/zinc/65/60/69/563656069.db2.gz DRCLWTVEGSZKNL-HNNXBMFYSA-N 1 0 349.438 3.695 40 0 EHABRO CCCc1ccc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)s1 ZINC000012228333 563656608 /nfs/dbraw/zinc/65/66/08/563656608.db2.gz OKSFQSOSQRRPNE-UHFFFAOYSA-N 1 0 341.484 3.747 40 0 EHABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccccc4C)CC3)no2)cn1 ZINC000012337355 563658492 /nfs/dbraw/zinc/65/84/92/563658492.db2.gz BJRCVXSMFVWUSV-UHFFFAOYSA-N 1 0 349.438 3.523 40 0 EHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2c1cc(C)cc2C ZINC000012362800 563658806 /nfs/dbraw/zinc/65/88/06/563658806.db2.gz HAFYZYPMHWKTMJ-QGZVFWFLSA-N 1 0 341.499 3.626 40 0 EHABRO O=C(Cc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000016506514 563813505 /nfs/dbraw/zinc/81/35/05/563813505.db2.gz SFYJXXCKFLVWIT-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000039772379 563900495 /nfs/dbraw/zinc/90/04/95/563900495.db2.gz FTOIOVDQPIPZQZ-UHFFFAOYSA-N 1 0 336.479 3.832 40 0 EHABRO O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000074931618 563967094 /nfs/dbraw/zinc/96/70/94/563967094.db2.gz YFQGBYOMNXGONI-UHFFFAOYSA-N 1 0 348.443 3.758 40 0 EHABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100075 563971337 /nfs/dbraw/zinc/97/13/37/563971337.db2.gz DYYWATQSCHSRIB-UZLBHIALSA-N 1 0 332.463 3.971 40 0 EHABRO CCCC[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100460 563971345 /nfs/dbraw/zinc/97/13/45/563971345.db2.gz KYDVTQQWWABNJO-FQEVSTJZSA-N 1 0 332.463 3.973 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)s1 ZINC000096046949 563978212 /nfs/dbraw/zinc/97/82/12/563978212.db2.gz LYCVYMUENSUMOH-FQEVSTJZSA-N 1 0 341.524 3.940 40 0 EHABRO COc1ccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096047603 563978265 /nfs/dbraw/zinc/97/82/65/563978265.db2.gz AYISQKGCRWQKOS-QFBILLFUSA-N 1 0 344.480 3.602 40 0 EHABRO COc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)cc1 ZINC000096047782 563978335 /nfs/dbraw/zinc/97/83/35/563978335.db2.gz NJTYZCJSKBPFRT-IBGZPJMESA-N 1 0 338.451 3.629 40 0 EHABRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccsc4)C3)CC2=O)s1 ZINC000096050860 563978491 /nfs/dbraw/zinc/97/84/91/563978491.db2.gz NACFCVGINLBSGX-QGZVFWFLSA-N 1 0 332.494 3.747 40 0 EHABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccsc3)C[C@@H]12 ZINC000096058452 563978754 /nfs/dbraw/zinc/97/87/54/563978754.db2.gz PFZHTKMXLGYDMR-UXHICEINSA-N 1 0 340.492 3.513 40 0 EHABRO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)oc1C ZINC000096215821 563980341 /nfs/dbraw/zinc/98/03/41/563980341.db2.gz RHQQRZZVKRHPGO-IBGZPJMESA-N 1 0 345.512 3.841 40 0 EHABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000585289625 563982007 /nfs/dbraw/zinc/98/20/07/563982007.db2.gz SORRILMQNKLRRX-IPMKNSEASA-N 1 0 349.833 3.930 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)CCC2CCCC2)c2ccccn2)CC1 ZINC000100750334 563982741 /nfs/dbraw/zinc/98/27/41/563982741.db2.gz XUJRTCRKLHILED-LVCYWYKZSA-N 1 0 343.515 3.974 40 0 EHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCC3CCCCC3)CC2)c1 ZINC000224530019 564043047 /nfs/dbraw/zinc/04/30/47/564043047.db2.gz VUFHFWWOJZOVSN-UHFFFAOYSA-N 1 0 328.500 3.904 40 0 EHABRO CCOc1ccccc1NC(=S)NCCC[NH+]1CCCCCC1 ZINC000225399044 564046442 /nfs/dbraw/zinc/04/64/42/564046442.db2.gz OLVFSCDCYSPQFI-UHFFFAOYSA-N 1 0 335.517 3.638 40 0 EHABRO CC(C)Oc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1 ZINC000225410955 564046505 /nfs/dbraw/zinc/04/65/05/564046505.db2.gz BCQHJPBSRDUTHL-UHFFFAOYSA-N 1 0 335.517 3.636 40 0 EHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225602250 564048241 /nfs/dbraw/zinc/04/82/41/564048241.db2.gz BNOLJANVSRFANS-JXFKEZNVSA-N 1 0 348.487 3.693 40 0 EHABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225606367 564048337 /nfs/dbraw/zinc/04/83/37/564048337.db2.gz QBEXZVVNGVISLP-FQEVSTJZSA-N 1 0 348.487 3.551 40 0 EHABRO CC(C)N(Cc1ccccc1)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257287910 564054810 /nfs/dbraw/zinc/05/48/10/564054810.db2.gz PRYIEYNKALZSTG-FQEVSTJZSA-N 1 0 337.467 3.899 40 0 EHABRO Cc1ncc(CN(C)C)c([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257318690 564055414 /nfs/dbraw/zinc/05/54/14/564055414.db2.gz VOZWRWSVUBLIQT-HXUWFJFHSA-N 1 0 349.482 3.665 40 0 EHABRO Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H]([NH3+])[C@H]2O)cc1 ZINC000257326833 564055492 /nfs/dbraw/zinc/05/54/92/564055492.db2.gz WYUFKRDXBQBEGG-JFIYKMOQSA-N 1 0 331.387 3.546 40 0 EHABRO CC(C)c1scnc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333360283 564056216 /nfs/dbraw/zinc/05/62/16/564056216.db2.gz SSIIVFRMTHPRDK-UHFFFAOYSA-N 1 0 348.516 3.542 40 0 EHABRO Cc1cc(N2Cc3ccccc3C[C@H]2C)nc(NCc2ccccc2)[nH+]1 ZINC000328984535 564071252 /nfs/dbraw/zinc/07/12/52/564071252.db2.gz HOTWOOJACGEAPD-QGZVFWFLSA-N 1 0 344.462 3.770 40 0 EHABRO COc1cccc(C[NH2+]CCc2cc(OC)c(Cl)cc2OC)c1 ZINC000299817106 564150846 /nfs/dbraw/zinc/15/08/46/564150846.db2.gz CSLNJUOCJZCEIR-UHFFFAOYSA-N 1 0 335.831 3.698 40 0 in-vitro EHABRO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000585109302 1040714264 /nfs/dbraw/zinc/71/42/64/1040714264.db2.gz IAJFEOKURLVECY-SLFFLAALSA-N 1 0 349.478 3.514 40 0 EHABRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000058819901 214605849 /nfs/dbraw/zinc/60/58/49/214605849.db2.gz MWXLLMQBDZNZJB-QGZVFWFLSA-N 1 0 326.415 3.701 40 0 EHABRO S=C(NCCC[NH+]1CCCCCC1)Nc1cccc(Cl)c1 ZINC000061247037 214658728 /nfs/dbraw/zinc/65/87/28/214658728.db2.gz BBNMFJBSDKMRQY-UHFFFAOYSA-N 1 0 325.909 3.893 40 0 EHABRO CN(Cc1cc(C[C@@H]2C[C@H]([NH+](C)C)C2(C)C)no1)c1ccccc1 ZINC000067889712 215242374 /nfs/dbraw/zinc/24/23/74/215242374.db2.gz YLBVJHDIYMGOMX-BEFAXECRSA-N 1 0 327.472 3.830 40 0 biogenic,in-vitro EHABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1 ZINC000008300478 291000109 /nfs/dbraw/zinc/00/01/09/291000109.db2.gz XWLRIWWRWZXNSY-OFQRWUPVSA-N 1 0 333.501 3.650 40 0 biogenic,in-vitro EHABRO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000035312299 213019098 /nfs/dbraw/zinc/01/90/98/213019098.db2.gz VJJQGYZXFRWUFV-VHRNVKJDSA-N 1 0 335.904 3.784 40 0 EHABRO O=c1oc2ccc(Cl)cc2n1C1CC[NH+](Cc2ccco2)CC1 ZINC000072347901 216160712 /nfs/dbraw/zinc/16/07/12/216160712.db2.gz OXKOLKPVRUZVQL-UHFFFAOYSA-N 1 0 332.787 3.678 40 0 EHABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4cccs4)C3)n2)c1 ZINC000072369859 216178189 /nfs/dbraw/zinc/17/81/89/216178189.db2.gz JABXVNZVZOFMOL-CQSZACIVSA-N 1 0 341.436 3.796 40 0 EHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000024189710 212411704 /nfs/dbraw/zinc/41/17/04/212411704.db2.gz CNDUXVFGMDHQSM-UHFFFAOYSA-N 1 0 328.843 3.866 40 0 EHABRO C[NH+](C)CCN(Cc1cccnc1)Cc1c(Cl)cccc1Cl ZINC000022931545 212336616 /nfs/dbraw/zinc/33/66/16/212336616.db2.gz CFYZEIPAZUVOBN-UHFFFAOYSA-N 1 0 338.282 3.952 40 0 EHABRO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000022075100 212276566 /nfs/dbraw/zinc/27/65/66/212276566.db2.gz NQDFLWGZYVDREI-UHFFFAOYSA-N 1 0 348.874 3.579 40 0 EHABRO Cc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000225726519 242004956 /nfs/dbraw/zinc/00/49/56/242004956.db2.gz FLEHDFAMRABBJJ-GJZGRUSLSA-N 1 0 333.545 3.958 40 0 EHABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3cnccn3)C2)nc1 ZINC000257235185 244227723 /nfs/dbraw/zinc/22/77/23/244227723.db2.gz GWVDVLXMFOGABK-KRWDZBQOSA-N 1 0 349.438 3.523 40 0 EHABRO Fc1ccccc1C[C@@H]1CC2(CO1)CC[NH+](Cc1ccccn1)CC2 ZINC000257240589 244242160 /nfs/dbraw/zinc/24/21/60/244242160.db2.gz HUFUIHWUHBTZEW-LJQANCHMSA-N 1 0 340.442 3.835 40 0 EHABRO Cc1ccc2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[NH2+]C4)[nH]c2c1 ZINC000257313484 244498032 /nfs/dbraw/zinc/49/80/32/244498032.db2.gz USRSDUVGXBIMSU-DZJZLKLXSA-N 1 0 337.467 3.612 40 0 EHABRO C[C@@H](Cn1cncc1-c1cnn(-c2ccccc2)c1)[NH+]1CCCCC1 ZINC000019719528 212057253 /nfs/dbraw/zinc/05/72/53/212057253.db2.gz JQHDVKSIKMDLSJ-KRWDZBQOSA-N 1 0 335.455 3.610 40 0 EHABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000012119158 211297921 /nfs/dbraw/zinc/29/79/21/211297921.db2.gz ITUWCPKZFFHTMT-MRXNPFEDSA-N 1 0 347.418 3.913 40 0 EHABRO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000008253178 210920440 /nfs/dbraw/zinc/92/04/40/210920440.db2.gz SJTYWSSPYXZXNQ-UHFFFAOYSA-N 1 0 329.440 3.790 40 0 EHABRO CCN(CC)c1ccc(NC(=O)C[NH2+]CC2CCCCC2)c(C)c1 ZINC000004895384 210314370 /nfs/dbraw/zinc/31/43/70/210314370.db2.gz YQIQUIDWLJXSHC-UHFFFAOYSA-N 1 0 331.504 3.950 40 0 EHABRO Cc1cc(C)cc(CSCC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000013669646 257912190 /nfs/dbraw/zinc/91/21/90/257912190.db2.gz PRPPONVJLKYJEC-UHFFFAOYSA-N 1 0 334.529 3.529 40 0 EHABRO CCCCC1CC[NH+](CCCN2C(=O)COc3cc(F)ccc32)CC1 ZINC000034033125 519921381 /nfs/dbraw/zinc/92/13/81/519921381.db2.gz BWAKMLKESHKOHK-UHFFFAOYSA-N 1 0 348.462 3.843 40 0 in-vitro EHABRO O=C(CSc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430241 563630097 /nfs/dbraw/zinc/63/00/97/563630097.db2.gz DDNQYHPGFDFLGP-UHFFFAOYSA-N 1 0 340.492 3.691 40 0 EHABRO Cc1cccc(-c2cc(C[NH2+]Cc3ccc(F)cc3)c3nnnn3c2)c1 ZINC000019235303 563855231 /nfs/dbraw/zinc/85/52/31/563855231.db2.gz ASKWGCZHPBMWIH-UHFFFAOYSA-N 1 0 347.397 3.529 40 0 EHABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1CCCC1 ZINC000044899878 563927605 /nfs/dbraw/zinc/92/76/05/563927605.db2.gz QCJKZIRXKULELT-IBGZPJMESA-N 1 0 340.467 3.599 40 0 EHABRO CCOc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044931982 563928375 /nfs/dbraw/zinc/92/83/75/563928375.db2.gz KSWCXTIRBXSTQP-UHFFFAOYSA-N 1 0 338.451 3.611 40 0 EHABRO CC(C)c1ccc(/C=C/C(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1 ZINC000073642541 563931373 /nfs/dbraw/zinc/93/13/73/563931373.db2.gz PVLRHQOQUUUSFJ-BJMVGYQFSA-N 1 0 333.435 3.871 40 0 EHABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100792 563971480 /nfs/dbraw/zinc/97/14/80/563971480.db2.gz WSFJDOUUTOEEBZ-KSSFIOAISA-N 1 0 335.517 3.597 40 0 EHABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2ccccn2)c1 ZINC000585105400 563971552 /nfs/dbraw/zinc/97/15/52/563971552.db2.gz WAKRRIRGDBMORA-KRWDZBQOSA-N 1 0 342.439 3.515 40 0 EHABRO C[C@]12C[C@@H](Cc3ccccc3)[N@H+](Cc3ccccc3)[C@H]1CCCC(=O)N2 ZINC000095951587 563977838 /nfs/dbraw/zinc/97/78/38/563977838.db2.gz LWLJVCPUMSPNNQ-GIWBLDEGSA-N 1 0 348.490 3.931 40 0 biogenic EHABRO c1ccc(-c2ccc3nc(C4CC[NH+](CC5CC5)CC4)nn3c2)cc1 ZINC000096038189 563978008 /nfs/dbraw/zinc/97/80/08/563978008.db2.gz KQFCTEULAGOUFZ-UHFFFAOYSA-N 1 0 332.451 3.986 40 0 EHABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1nccs1)CC2 ZINC000096051555 563978611 /nfs/dbraw/zinc/97/86/11/563978611.db2.gz CMMQWHXQIXEKDC-INIZCTEOSA-N 1 0 331.485 3.613 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)o1 ZINC000096061434 563978934 /nfs/dbraw/zinc/97/89/34/563978934.db2.gz RAOGJRSTRYRSGE-IBGZPJMESA-N 1 0 338.451 3.569 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)s1 ZINC000096100245 563979168 /nfs/dbraw/zinc/97/91/68/563979168.db2.gz DGAMSUDTXBSPRG-GOSISDBHSA-N 1 0 340.492 3.852 40 0 EHABRO Cc1ccc(C[N@@H+]2CCCC3(CCN(C(=O)C4CC4)CC3)C2)cc1 ZINC000096158519 563979822 /nfs/dbraw/zinc/97/98/22/563979822.db2.gz RZUYWAJDSKBTOD-UHFFFAOYSA-N 1 0 326.484 3.610 40 0 EHABRO Cc1cc(C)cc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000000514900 564012566 /nfs/dbraw/zinc/01/25/66/564012566.db2.gz VFBIDTUUQPJTCB-UHFFFAOYSA-N 1 0 338.451 3.917 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2cccc(C)c2)cc1 ZINC000006949653 564015092 /nfs/dbraw/zinc/01/50/92/564015092.db2.gz HIMRYKUBNHSEKU-UHFFFAOYSA-N 1 0 326.440 3.854 40 0 EHABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)cc1F ZINC000049169481 564032599 /nfs/dbraw/zinc/03/25/99/564032599.db2.gz FVOZTQCWYLLKKR-LBPRGKRZSA-N 1 0 331.322 3.597 40 0 biogenic,in-vitro EHABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000049169987 564032612 /nfs/dbraw/zinc/03/26/12/564032612.db2.gz BGTWDOFOIPUUBX-INIZCTEOSA-N 1 0 335.407 3.735 40 0 biogenic,in-vitro EHABRO Cc1ccc(C)c(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224786465 564043713 /nfs/dbraw/zinc/04/37/13/564043713.db2.gz MNCTVJGDZFHSQO-UHFFFAOYSA-N 1 0 336.479 3.758 40 0 EHABRO Cc1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc1C ZINC000225215693 564045440 /nfs/dbraw/zinc/04/54/40/564045440.db2.gz SCRIRLVVGNVZJB-UHFFFAOYSA-N 1 0 349.569 3.513 40 0 EHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225602714 564048287 /nfs/dbraw/zinc/04/82/87/564048287.db2.gz WOXBLGSNGOPNHB-FQEVSTJZSA-N 1 0 348.487 3.695 40 0 EHABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(OC)CCCC2)cc1 ZINC000225626256 564048620 /nfs/dbraw/zinc/04/86/20/564048620.db2.gz ZVKUKTMWKFKFKJ-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225647337 564048965 /nfs/dbraw/zinc/04/89/65/564048965.db2.gz CSCDPMBIKLLGCZ-UHFFFAOYSA-N 1 0 348.487 3.551 40 0 EHABRO CN(C)C(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000123657749 564051244 /nfs/dbraw/zinc/05/12/44/564051244.db2.gz WAAJTDHGZPQFGG-UHFFFAOYSA-N 1 0 336.479 3.843 40 0 EHABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)ccn1 ZINC000257297510 564054988 /nfs/dbraw/zinc/05/49/88/564054988.db2.gz RHOFZPVZBDCZPI-FQEVSTJZSA-N 1 0 349.478 3.539 40 0 EHABRO CC(C)CNC(=O)c1ccc2c(c1)C1(CCO2)CC[NH+](C(C)C)CC1 ZINC000306138610 564062288 /nfs/dbraw/zinc/06/22/88/564062288.db2.gz SBXMGJBCJMGCII-UHFFFAOYSA-N 1 0 344.499 3.597 40 0 EHABRO Cc1cc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc(C)c1Cl ZINC000006500862 564112449 /nfs/dbraw/zinc/11/24/49/564112449.db2.gz JBTIUGTZKQNVSH-GOSISDBHSA-N 1 0 345.870 3.755 40 0 EHABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000010276953 564127694 /nfs/dbraw/zinc/12/76/94/564127694.db2.gz SMFREQCJCACYTD-CQSZACIVSA-N 1 0 340.920 3.813 40 0 EHABRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2)c1 ZINC000034892183 564177513 /nfs/dbraw/zinc/17/75/13/564177513.db2.gz ZGSJHDUHKWWBFB-OALUTQOASA-N 1 0 327.424 3.574 40 0 EHABRO Cc1cc(OC(C)C)cc(C)c1C(=O)OC[C@H](C)C[NH+]1CCCC1 ZINC000006521957 568414854 /nfs/dbraw/zinc/41/48/54/568414854.db2.gz UTKSDNCXIRMQFY-OAHLLOKOSA-N 1 0 333.472 3.979 40 0 EHABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000004019141 210101770 /nfs/dbraw/zinc/10/17/70/210101770.db2.gz OTTUUPAQKHWADJ-HLRQEUIKSA-N 1 0 345.527 3.883 40 0 EHABRO Oc1cccc(-c2cc(CC3([NH2+]CC4CCCCC4)COC3)no2)c1 ZINC000067898304 215245133 /nfs/dbraw/zinc/24/51/33/215245133.db2.gz RQAJMPSGXLWGKU-UHFFFAOYSA-N 1 0 342.439 3.529 40 0 biogenic,in-vitro EHABRO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1CC1(CCCCC1)C2=O ZINC000001846186 209798634 /nfs/dbraw/zinc/79/86/34/209798634.db2.gz YLBMSIZZTJEEIO-HNNXBMFYSA-N 1 0 345.483 3.504 40 0 in-man EHABRO c1cn(-c2cccc(C3CC[NH+](CCOc4ccccc4)CC3)n2)cn1 ZINC000072379204 216180993 /nfs/dbraw/zinc/18/09/93/216180993.db2.gz JBEGEAZQCQVXKQ-UHFFFAOYSA-N 1 0 348.450 3.526 40 0 EHABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC[NH2+]C1 ZINC000072391956 216190584 /nfs/dbraw/zinc/19/05/84/216190584.db2.gz MQUBHIIIXMKEHA-JOCHJYFZSA-N 1 0 336.479 3.791 40 0 EHABRO C[NH+](C)CCN(Cc1cccs1)Cc1cccc2ncccc12 ZINC000023247849 212362854 /nfs/dbraw/zinc/36/28/54/212362854.db2.gz WSFXYHPYFHXBEA-UHFFFAOYSA-N 1 0 325.481 3.860 40 0 EHABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216201835 241174621 /nfs/dbraw/zinc/17/46/21/241174621.db2.gz GISGQULYQJUEDR-ICSRJNTNSA-N 1 0 346.515 3.923 40 0 EHABRO Cc1nccc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257215951 244165770 /nfs/dbraw/zinc/16/57/70/244165770.db2.gz CSKDPYODKXOKSX-HNNXBMFYSA-N 1 0 325.441 3.574 40 0 EHABRO O[C@H](c1ccccc1)[C@@H](NCC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000019366029 212022477 /nfs/dbraw/zinc/02/24/77/212022477.db2.gz SGOMBIGJIMEQGI-XZOQPEGZSA-N 1 0 346.474 3.841 40 0 EHABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[NH2+]3)n2)c1 ZINC000019294088 212012865 /nfs/dbraw/zinc/01/28/65/212012865.db2.gz ONBNIWZJLWQEHT-MRXNPFEDSA-N 1 0 335.386 3.846 40 0 EHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc3c(c(Cl)c2)OCO3)on1 ZINC000019120529 212000896 /nfs/dbraw/zinc/00/08/96/212000896.db2.gz BPOACCJNQVODRV-XJKSGUPXSA-N 1 0 348.830 3.866 40 0 EHABRO CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2C[N@@H+](C3CCCCC3)CC[C@@H]21 ZINC000019235208 212006827 /nfs/dbraw/zinc/00/68/27/212006827.db2.gz FJTQAWIPZLKTOF-FKBYEOEOSA-N 1 0 340.511 3.964 40 0 EHABRO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012480814 211392422 /nfs/dbraw/zinc/39/24/22/211392422.db2.gz HOCIJXJLSPALCT-UHFFFAOYSA-N 1 0 327.399 3.929 40 0 EHABRO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4CCC[C@H](C)C4)n3)cc2)n1 ZINC000012337089 211350640 /nfs/dbraw/zinc/35/06/40/211350640.db2.gz OZXNVKOWPCMQHY-AWEZNQCLSA-N 1 0 349.438 3.734 40 0 EHABRO Cc1c2cc(C)ccc2n(C)c1C(=O)N(C)CCC[NH+]1CCCCC1 ZINC000012148682 211307368 /nfs/dbraw/zinc/30/73/68/211307368.db2.gz SVNAWMQVIISBKV-UHFFFAOYSA-N 1 0 341.499 3.743 40 0 EHABRO CCCCOc1c(C)cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1C 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/nfs/dbraw/zinc/98/02/47/563980247.db2.gz AQKVUCXWAVRKIF-OAQYLSRUSA-N 1 0 337.467 3.583 40 0 EHABRO Cc1ccsc1C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000096242396 563980565 /nfs/dbraw/zinc/98/05/65/563980565.db2.gz UDMPAVAAXLUYDK-UHFFFAOYSA-N 1 0 340.492 3.676 40 0 EHABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000585289910 563982003 /nfs/dbraw/zinc/98/20/03/563982003.db2.gz XFAACROMUQIWLQ-IPMKNSEASA-N 1 0 331.843 3.791 40 0 EHABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(N3CCOCC3)nc2)cc1 ZINC000072216188 563985541 /nfs/dbraw/zinc/98/55/41/563985541.db2.gz NLAOXOOIVIMAFR-HXUWFJFHSA-N 1 0 337.467 3.645 40 0 EHABRO COCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008469142 564016352 /nfs/dbraw/zinc/01/63/52/564016352.db2.gz PNQMBWHCQVTRNJ-UHFFFAOYSA-N 1 0 335.831 3.664 40 0 EHABRO CC1(C)CCCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000009062715 564016560 /nfs/dbraw/zinc/01/65/60/564016560.db2.gz QSGFQUVIUNUMAG-UHFFFAOYSA-N 1 0 332.463 3.686 40 0 EHABRO OCC[N@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1cccnc1 ZINC000013569623 564020154 /nfs/dbraw/zinc/02/01/54/564020154.db2.gz VCHBMBBRUASLKT-UHFFFAOYSA-N 1 0 348.446 3.655 40 0 EHABRO c1csc(C[N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)c1 ZINC000049169861 564032602 /nfs/dbraw/zinc/03/26/02/564032602.db2.gz HAMHHZQGYJAUHC-HNNXBMFYSA-N 1 0 325.437 3.711 40 0 biogenic,in-vitro EHABRO Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)c1 ZINC000224801765 564043706 /nfs/dbraw/zinc/04/37/06/564043706.db2.gz BRPHBPLIKKGSPK-UHFFFAOYSA-N 1 0 336.479 3.758 40 0 EHABRO c1ccc(C2CC[NH+](Cc3ccnc([C@H]4CCCOC4)n3)CC2)cc1 ZINC000257305516 564055131 /nfs/dbraw/zinc/05/51/31/564055131.db2.gz SQJWNPXMSJPWNY-IBGZPJMESA-N 1 0 337.467 3.750 40 0 EHABRO Cc1ncc(-c2cccc(C3CC[NH+](Cc4ccccn4)CC3)n2)n1C ZINC000257324703 564055467 /nfs/dbraw/zinc/05/54/67/564055467.db2.gz WPTSCARLUDVMKD-UHFFFAOYSA-N 1 0 347.466 3.565 40 0 EHABRO CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329042573 564071841 /nfs/dbraw/zinc/07/18/41/564071841.db2.gz SOEQWGJEUCJMDQ-UHFFFAOYSA-N 1 0 342.874 3.812 40 0 EHABRO COc1ccc2c(c1)cc([C@@H]1CCC[NH2+]C1)nc2Nc1nccs1 ZINC000257285847 564134870 /nfs/dbraw/zinc/13/48/70/564134870.db2.gz PJDKNQFXQOXMSR-GFCCVEGCSA-N 1 0 340.452 3.911 40 0 EHABRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714477 564150421 /nfs/dbraw/zinc/15/04/21/564150421.db2.gz AYRHIEIVWIXGOF-XODKDNOYSA-N 1 0 328.500 3.901 40 0 EHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000067802643 215215009 /nfs/dbraw/zinc/21/50/09/215215009.db2.gz WINHCJQWMLFDBH-UHFFFAOYSA-N 1 0 342.842 3.968 40 0 EHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000067802649 215215042 /nfs/dbraw/zinc/21/50/42/215215042.db2.gz WHSCFOKAOMTFHV-UHFFFAOYSA-N 1 0 342.842 3.968 40 0 EHABRO C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CCC[NH2+][C@@H]5CC[C@]4(C)[C@H]3CC[C@]21C ZINC000104389298 219383119 /nfs/dbraw/zinc/38/31/19/219383119.db2.gz VTUJCRYRYIZIRS-DATPKCMRSA-N 1 0 344.543 3.889 40 0 EHABRO CC(C)(C)[NH2+]C[C@@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373047 213293699 /nfs/dbraw/zinc/29/36/99/213293699.db2.gz PTCBXZBGNJRHRU-LJQANCHMSA-N 1 0 327.468 3.584 40 0 EHABRO CC(C)(C)[NH2+]C[C@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373045 213293503 /nfs/dbraw/zinc/29/35/03/213293503.db2.gz PTCBXZBGNJRHRU-IBGZPJMESA-N 1 0 327.468 3.584 40 0 EHABRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849432 213227942 /nfs/dbraw/zinc/22/79/42/213227942.db2.gz NTCCQPIBSBZLQO-GOSISDBHSA-N 1 0 338.451 3.854 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000037530392 213154197 /nfs/dbraw/zinc/15/41/97/213154197.db2.gz FROLMVAMIZKMMK-JPVUVWHMSA-N 1 0 325.537 3.947 40 0 EHABRO O[C@@H](C[N@@H+]1CCC[C@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000036743828 213115648 /nfs/dbraw/zinc/11/56/48/213115648.db2.gz YEDVRDIEBWBOLX-YOEHRIQHSA-N 1 0 335.444 3.712 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377558 216179570 /nfs/dbraw/zinc/17/95/70/216179570.db2.gz ARUFXDQNUUFUCV-IBGZPJMESA-N 1 0 345.450 3.995 40 0 EHABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072378716 216181595 /nfs/dbraw/zinc/18/15/95/216181595.db2.gz AYVKWYZDERTBTK-KRWDZBQOSA-N 1 0 325.460 3.694 40 0 EHABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC000072392520 216191638 /nfs/dbraw/zinc/19/16/38/216191638.db2.gz XXRUGXIVNGRCPI-HQRMLTQVSA-N 1 0 342.870 3.773 40 0 EHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1F ZINC000022913866 212332324 /nfs/dbraw/zinc/33/23/24/212332324.db2.gz FKHFIJBVWCUUPB-LJQANCHMSA-N 1 0 327.447 3.707 40 0 EHABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216242469 241178022 /nfs/dbraw/zinc/17/80/22/241178022.db2.gz BZOPGCRCZISMFU-OALUTQOASA-N 1 0 346.515 3.923 40 0 EHABRO CCCn1nccc1-c1cc([C@H]2CCC[N@@H+](C(C)C)C2)nc(C)n1 ZINC000257209756 244146697 /nfs/dbraw/zinc/14/66/97/244146697.db2.gz BRTFORFXHAFPLZ-INIZCTEOSA-N 1 0 327.476 3.646 40 0 EHABRO c1ccc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257223890 244194961 /nfs/dbraw/zinc/19/49/61/244194961.db2.gz DZJQASZLWSBTIC-GOSISDBHSA-N 1 0 345.450 3.995 40 0 EHABRO c1cnc(Nc2ccc([C@H]3CCCC[N@H+]3Cc3ccncc3)cn2)cn1 ZINC000257248462 244262371 /nfs/dbraw/zinc/26/23/71/244262371.db2.gz JDTQCXTZZQRYMS-GOSISDBHSA-N 1 0 346.438 3.737 40 0 EHABRO C[NH+](C)CCCN(Cc1ccccn1)Cc1cccc2ncccc12 ZINC000019582193 212047686 /nfs/dbraw/zinc/04/76/86/212047686.db2.gz JBGYJUUQGYSTIG-UHFFFAOYSA-N 1 0 334.467 3.584 40 0 EHABRO Cc1cc(-c2ccccc2)ccc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000019570647 212043850 /nfs/dbraw/zinc/04/38/50/212043850.db2.gz VDDRLAUARDVBJF-UHFFFAOYSA-N 1 0 334.463 3.764 40 0 EHABRO COc1ncc(C[N@H+](CCc2ccccc2)Cc2cccs2)cn1 ZINC000019572071 212044495 /nfs/dbraw/zinc/04/44/95/212044495.db2.gz AONGKWDSLZIQIQ-UHFFFAOYSA-N 1 0 339.464 3.792 40 0 EHABRO Cc1ncsc1-c1nnc([C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000019562835 212042275 /nfs/dbraw/zinc/04/22/75/212042275.db2.gz KSGZSCNVSIMTSZ-HNNXBMFYSA-N 1 0 340.452 3.881 40 0 EHABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(N2CCCC2=O)cc1 ZINC000019498364 212032464 /nfs/dbraw/zinc/03/24/64/212032464.db2.gz FHROJIRPLUFWBP-CQSZACIVSA-N 1 0 326.465 3.994 40 0 EHABRO CC(C)[C@H]([NH2+]CC1CCCCC1)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019445661 212028757 /nfs/dbraw/zinc/02/87/57/212028757.db2.gz RADZMAVYXCMYAD-IBGZPJMESA-N 1 0 340.471 3.699 40 0 EHABRO COc1ccc(-c2ncc(C[N@H+](C)[C@H](C)Cc3ccccn3)cn2)cc1 ZINC000019456972 212029914 /nfs/dbraw/zinc/02/99/14/212029914.db2.gz KVZZMACSVAOHSC-MRXNPFEDSA-N 1 0 348.450 3.610 40 0 EHABRO c1ccc(Nc2cc(-c3ccccn3)nc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000019373263 212024078 /nfs/dbraw/zinc/02/40/78/212024078.db2.gz GNOHCKVCFPRJIX-HNNXBMFYSA-N 1 0 331.423 3.749 40 0 EHABRO c1ccc2c(c1)CC[N@@H+](Cc1c3cccnc3[nH]c1[C@@H]1CCCO1)C2 ZINC000019375389 212024118 /nfs/dbraw/zinc/02/41/18/212024118.db2.gz PSCCGCGKSDWTMV-IBGZPJMESA-N 1 0 333.435 3.973 40 0 EHABRO FC(F)c1cc([C@@H]2CCC[N@H+](CC3CCCCC3)C2)nc2ncnn21 ZINC000012406879 211370069 /nfs/dbraw/zinc/37/00/69/211370069.db2.gz OUFXIPXRHCCSKZ-CQSZACIVSA-N 1 0 349.429 3.822 40 0 EHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2c(C)nn(C(C)C)c2C)on1 ZINC000012366556 211357239 /nfs/dbraw/zinc/35/72/39/211357239.db2.gz FKMDGZXVKZCYRO-QFBILLFUSA-N 1 0 330.476 3.878 40 0 EHABRO Cc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3C)CC2)cc1C ZINC000012292222 211334807 /nfs/dbraw/zinc/33/48/07/211334807.db2.gz ZVKXRAMOLDELCF-NRFANRHFSA-N 1 0 339.479 3.629 40 0 EHABRO COc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)c1 ZINC000012252279 211329272 /nfs/dbraw/zinc/32/92/72/211329272.db2.gz KKFFTSHUHJPSPH-PMSBKCLSSA-N 1 0 328.500 3.782 40 0 EHABRO Cc1cc2cc(C(=O)NCCC[NH+]3Cc4ccccc4C3)ccc2o1 ZINC000012193294 211316191 /nfs/dbraw/zinc/31/61/91/211316191.db2.gz SLWURPKUBQBMCI-UHFFFAOYSA-N 1 0 334.419 3.877 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(-c3cccs3)no2)C1 ZINC000012205094 211321281 /nfs/dbraw/zinc/32/12/81/211321281.db2.gz DPLUYDXWJSDCFA-KBPBESRZSA-N 1 0 347.484 3.501 40 0 EHABRO Cc1ccc(C2(O)CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000012147621 211307473 /nfs/dbraw/zinc/30/74/73/211307473.db2.gz RCTNYVONBYHFOG-UHFFFAOYSA-N 1 0 347.462 3.869 40 0 EHABRO CC(C)(C)Nc1c(C2CCN(C(=O)C3CC3)CC2)[nH+]c2ccccn21 ZINC000012087439 211288526 /nfs/dbraw/zinc/28/85/26/211288526.db2.gz TYIZOOABAATACK-UHFFFAOYSA-N 1 0 340.471 3.661 40 0 EHABRO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000092788624 218168031 /nfs/dbraw/zinc/16/80/31/218168031.db2.gz LLXOJUWXRQIGAB-LBPRGKRZSA-N 1 0 330.482 3.974 40 0 EHABRO Brc1ccccc1C[NH+]1CCC(c2cnccn2)CC1 ZINC000257221893 532972488 /nfs/dbraw/zinc/97/24/88/532972488.db2.gz DQZQKKMNRMMHIA-UHFFFAOYSA-N 1 0 332.245 3.619 40 0 EHABRO Cc1ccc(NC(=O)C[NH2+]Cc2cccs2)cc1Br ZINC000005000535 210356336 /nfs/dbraw/zinc/35/63/36/210356336.db2.gz PJURJGWDUSSHOS-UHFFFAOYSA-N 1 0 339.258 3.547 40 0 EHABRO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000005000520 210356344 /nfs/dbraw/zinc/35/63/44/210356344.db2.gz VDNQZRDUVFZIAY-UHFFFAOYSA-N 1 0 330.350 3.788 40 0 EHABRO CC1(C)Oc2c(cccc2C(F)(F)F)[C@@H]2O[C@@H]3CC[NH2+][C@@H]3C[C@H]21 ZINC000257229893 535003638 /nfs/dbraw/zinc/00/36/38/535003638.db2.gz FZWUAQLDOXDHEB-SYQHCUMBSA-N 1 0 327.346 3.685 40 0 EHABRO Cc1cccc(-n2nc(-c3ccccc3)n[n+]2-c2cccc(C)c2)c1 ZINC000002528032 563439713 /nfs/dbraw/zinc/43/97/13/563439713.db2.gz RGGMHQWYSVVPAV-UHFFFAOYSA-N 1 0 327.411 3.828 40 0 EHABRO CC[NH+](CC)CCOc1nnc(Cc2ccccc2)c2ccccc21 ZINC000005469602 563533900 /nfs/dbraw/zinc/53/39/00/563533900.db2.gz YNEZBRCQABXIOB-UHFFFAOYSA-N 1 0 335.451 3.941 40 0 EHABRO C[C@@]1(O)CC[C@@H]2[C@H]3CC=C4N5CC[NH+]=C5CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000006266594 563563311 /nfs/dbraw/zinc/56/33/11/563563311.db2.gz IYTWAYCUKKPIHQ-GFYPJBIUSA-N 1 0 328.500 3.982 40 0 in-vitro EHABRO Fc1cccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)c1 ZINC000012668907 563667507 /nfs/dbraw/zinc/66/75/07/563667507.db2.gz DXPVLSSDZJBNHX-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO O=C(CSCc1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC000013668544 563708238 /nfs/dbraw/zinc/70/82/38/563708238.db2.gz KOWZYKLKWIEKMQ-UHFFFAOYSA-N 1 0 340.920 3.565 40 0 EHABRO C[NH+](C)CCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000013676399 563710399 /nfs/dbraw/zinc/71/03/99/563710399.db2.gz VHPNWLYZSWHVTJ-UHFFFAOYSA-N 1 0 328.481 3.660 40 0 EHABRO Cc1ccc(C)c([C@@H](O)CN2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000019132002 563854370 /nfs/dbraw/zinc/85/43/70/563854370.db2.gz JDLHDBRUAOZPLI-NRFANRHFSA-N 1 0 330.516 3.533 40 0 EHABRO CCCCOc1cccc(C(=O)N2CC[NH+]=Cc3cc(N)ccc32)c1 ZINC000073642554 563931406 /nfs/dbraw/zinc/93/14/06/563931406.db2.gz AMCSYXDXBUDADN-UHFFFAOYSA-N 1 0 337.423 3.527 40 0 EHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000257219654 563967196 /nfs/dbraw/zinc/96/71/96/563967196.db2.gz DHPDZUDBBCOSQP-BQFCYCMXSA-N 1 0 331.504 3.653 40 0 EHABRO Cc1ccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)s1 ZINC000096201205 563980131 /nfs/dbraw/zinc/98/01/31/563980131.db2.gz MKPIFTFJYJGPKM-OAHLLOKOSA-N 1 0 332.517 3.670 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)NC4CCCC4)C3)C2)o1 ZINC000096215968 563980286 /nfs/dbraw/zinc/98/02/86/563980286.db2.gz RLJPHNAUZADAJE-HXUWFJFHSA-N 1 0 345.487 3.528 40 0 EHABRO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)CC2CCCCC2)n1 ZINC000013991974 564020844 /nfs/dbraw/zinc/02/08/44/564020844.db2.gz VKVUPOKTDUKZTE-LJQANCHMSA-N 1 0 345.487 3.536 40 0 EHABRO OCC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000013997553 564020858 /nfs/dbraw/zinc/02/08/58/564020858.db2.gz PSCNUZUHCATWGC-UHFFFAOYSA-N 1 0 347.871 3.786 40 0 EHABRO Cc1cccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c1C ZINC000225216674 564045468 /nfs/dbraw/zinc/04/54/68/564045468.db2.gz DUZBCCCLWCBADV-UHFFFAOYSA-N 1 0 349.569 3.513 40 0 EHABRO COC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225599699 564048218 /nfs/dbraw/zinc/04/82/18/564048218.db2.gz MAMONPJZOKNQMS-MRXNPFEDSA-N 1 0 348.487 3.551 40 0 EHABRO Cc1cc(C)c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000225651186 564048979 /nfs/dbraw/zinc/04/89/79/564048979.db2.gz PMQBIEDIIQBTEI-UHFFFAOYSA-N 1 0 336.479 3.790 40 0 EHABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2CC)cc1C ZINC000260762064 564052521 /nfs/dbraw/zinc/05/25/21/564052521.db2.gz GCLPZMRZGVJPDK-GOSISDBHSA-N 1 0 332.488 3.778 40 0 EHABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257285321 564054782 /nfs/dbraw/zinc/05/47/82/564054782.db2.gz PGPPJZUOMGJJAF-LJQANCHMSA-N 1 0 347.466 3.565 40 0 EHABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)nc1 ZINC000257342687 564055747 /nfs/dbraw/zinc/05/57/47/564055747.db2.gz ZPSWZNDKGSQCSN-FQEVSTJZSA-N 1 0 348.450 3.602 40 0 EHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)n1 ZINC000328976573 564071182 /nfs/dbraw/zinc/07/11/82/564071182.db2.gz FOOUZSIIAVBPOT-UHFFFAOYSA-N 1 0 345.878 3.537 40 0 EHABRO C[C@]12C[C@@H](c3ccccc3)N(C(=O)c3ccncc3)[C@H]1CCCCC[NH2+]2 ZINC000019713510 564128122 /nfs/dbraw/zinc/12/81/22/564128122.db2.gz GWDGHMMAZNUDLI-ONTIZHBOSA-N 1 0 349.478 3.960 40 0 EHABRO Cc1ccccc1C[NH2+]C[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096269367 564146214 /nfs/dbraw/zinc/14/62/14/564146214.db2.gz OCSPOQMKZDXILK-IBGZPJMESA-N 1 0 333.435 3.547 40 0 biogenic,in-vitro EHABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@]1(O)CCC[C@H](C)C1 ZINC000004683104 210245940 /nfs/dbraw/zinc/24/59/40/210245940.db2.gz PKMGAMIZEJERMX-CUWPLCDZSA-N 1 0 347.499 3.596 40 0 EHABRO CC(C)(C)c1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccc(CO)o3)C2(C)C)no1 ZINC000067890229 215242494 /nfs/dbraw/zinc/24/24/94/215242494.db2.gz FUEAJIKXKYYFDM-DYVFJYSZSA-N 1 0 346.471 3.804 40 0 biogenic,in-vitro EHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCc3ccccc3)cc2)C1 ZINC000038832965 213227072 /nfs/dbraw/zinc/22/70/72/213227072.db2.gz JPSCONBINUQDGT-GOSISDBHSA-N 1 0 336.479 3.891 40 0 EHABRO C[C@H]1C[NH2+]CCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071978871 215987801 /nfs/dbraw/zinc/98/78/01/215987801.db2.gz IQWLVBMZMPTXIJ-VIFPVBQESA-N 1 0 326.284 3.518 40 0 EHABRO Cc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359050 216165556 /nfs/dbraw/zinc/16/55/56/216165556.db2.gz JZGYMJWZPLDJGB-IBGZPJMESA-N 1 0 347.466 3.565 40 0 EHABRO c1cn(-c2cccc([C@H]3CCC[N@@H+](CCOc4ccccc4)C3)n2)cn1 ZINC000072378782 216181379 /nfs/dbraw/zinc/18/13/79/216181379.db2.gz YIDUCVLPKQMEND-SFHVURJKSA-N 1 0 348.450 3.526 40 0 EHABRO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000072369726 216177834 /nfs/dbraw/zinc/17/78/34/216177834.db2.gz SVLBJZFHIPMQFX-AWEZNQCLSA-N 1 0 339.468 3.535 40 0 EHABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000072392519 216190574 /nfs/dbraw/zinc/19/05/74/216190574.db2.gz GSRSSWJLKQAFLJ-VPWXQRGCSA-N 1 0 342.870 3.773 40 0 EHABRO O=C(Nc1cccc(Cl)c1)C12CC[NH+](CC1)Cc1ccccc12 ZINC000000055580 209393482 /nfs/dbraw/zinc/39/34/82/209393482.db2.gz UQZJPPKTESRKQT-UHFFFAOYSA-N 1 0 326.827 3.826 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000022523922 212304852 /nfs/dbraw/zinc/30/48/52/212304852.db2.gz RXZKIHHYUJKCKH-MOPGFXCFSA-N 1 0 346.515 3.842 40 0 EHABRO CC[NH+](CC)CCNCc1ccccc1OCc1ccc(F)cc1 ZINC000022075296 212277033 /nfs/dbraw/zinc/27/70/33/212277033.db2.gz QRNGIAHWAJOHBH-UHFFFAOYSA-N 1 0 330.447 3.836 40 0 EHABRO CSc1ccc(CN2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000022032068 212273258 /nfs/dbraw/zinc/27/32/58/212273258.db2.gz VZRFWQOUJLHFRJ-OTWHNJEPSA-N 1 0 328.525 3.738 40 0 EHABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225635962 241963769 /nfs/dbraw/zinc/96/37/69/241963769.db2.gz OOEKDCHRKRYXKC-JXFKEZNVSA-N 1 0 348.487 3.551 40 0 EHABRO O=C(CCc1ccccc1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257203853 244127007 /nfs/dbraw/zinc/12/70/07/244127007.db2.gz ARYCXKYBCITIEQ-NHCUHLMSSA-N 1 0 340.511 3.875 40 0 EHABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000257229960 244211037 /nfs/dbraw/zinc/21/10/37/244211037.db2.gz GADLWIVPOWZNGZ-HNNXBMFYSA-N 1 0 349.413 3.888 40 0 EHABRO Cc1ncc(-c2ccc(C[C@@H]3CCC[N@@H+](C4CCCC4)C3)cn2)n1C ZINC000257221220 244184290 /nfs/dbraw/zinc/18/42/90/244184290.db2.gz DOALMOLRFDPNKY-SFHVURJKSA-N 1 0 338.499 3.988 40 0 EHABRO Clc1ccc(C[C@H]2CC3(CO2)CC[NH+](C2CCOCC2)CC3)cc1 ZINC000257340850 244570546 /nfs/dbraw/zinc/57/05/46/244570546.db2.gz ZHTKJTDFRPOHCE-IBGZPJMESA-N 1 0 349.902 3.933 40 0 EHABRO CCn1nc(C)c(-c2cncn2C[C@@H](C)[NH+]2CCC(C)CC2)c1C ZINC000019719609 212056955 /nfs/dbraw/zinc/05/69/55/212056955.db2.gz OMGHVVCZXJSYIW-OAHLLOKOSA-N 1 0 329.492 3.504 40 0 EHABRO Cc1oc2ccc(O)cc2c1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000019581577 212047089 /nfs/dbraw/zinc/04/70/89/212047089.db2.gz CQUNNAWXZXCRRN-OKILXGFUSA-N 1 0 344.455 3.545 40 0 EHABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CCSC)c(C)c1C ZINC000019577400 212045294 /nfs/dbraw/zinc/04/52/94/212045294.db2.gz MUJHPKUNCORXJF-RBUKOAKNSA-N 1 0 348.556 3.714 40 0 EHABRO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)nc(-c2cccnc2)[nH]1 ZINC000019372026 212023395 /nfs/dbraw/zinc/02/33/95/212023395.db2.gz CEECWEDLPKUQKC-LJQANCHMSA-N 1 0 346.434 3.559 40 0 EHABRO OC1(c2ccccc2F)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000012363482 211355300 /nfs/dbraw/zinc/35/53/00/211355300.db2.gz RBLCZUZESHKLQV-UHFFFAOYSA-N 1 0 336.410 3.858 40 0 EHABRO Cc1cc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(C)c1Cl ZINC000012169941 211311220 /nfs/dbraw/zinc/31/12/20/211311220.db2.gz LTOMHKXZZHIXOP-XJKCOSOUSA-N 1 0 325.880 3.674 40 0 EHABRO CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)cc1 ZINC000004886593 210311099 /nfs/dbraw/zinc/31/10/99/210311099.db2.gz BYYRWWOWPNLXGV-YQQQUEKLSA-N 1 0 344.499 3.857 40 0 EHABRO CCOc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225727261 535750893 /nfs/dbraw/zinc/75/08/93/535750893.db2.gz NUFXVNCOOQCCKE-HZPDHXFCSA-N 1 0 349.544 3.740 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000006008116 563557037 /nfs/dbraw/zinc/55/70/37/563557037.db2.gz FROLMVAMIZKMMK-WHBLYCTDSA-N 1 0 325.537 3.947 40 0 EHABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000006356055 563565866 /nfs/dbraw/zinc/56/58/66/563565866.db2.gz WSEOTWCMPKAJSV-FXAWDEMLSA-N 1 0 339.479 3.998 40 0 EHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000008011568 563619091 /nfs/dbraw/zinc/61/90/91/563619091.db2.gz UMSVJOXVQCYIBM-UHFFFAOYSA-N 1 0 328.843 3.866 40 0 EHABRO O=C(C[NH2+]Cc1ccccc1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000008628631 563633580 /nfs/dbraw/zinc/63/35/80/563633580.db2.gz UEBVPRBNDGCPHR-JOCHJYFZSA-N 1 0 344.458 3.876 40 0 EHABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)C(C)(C)C ZINC000019081502 563853677 /nfs/dbraw/zinc/85/36/77/563853677.db2.gz YQWUIALTROFJQZ-GUDVDZBRSA-N 1 0 328.500 3.902 40 0 EHABRO COc1ccc(C[C@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)cc1OC ZINC000026665491 563892528 /nfs/dbraw/zinc/89/25/28/563892528.db2.gz GDAJGLDMCDMPIR-GOSISDBHSA-N 1 0 336.435 3.923 40 0 in-vitro EHABRO COc1cc2c(Cl)ncnc2cc1OCCC[NH+]1CCCCC1 ZINC000034598668 563919505 /nfs/dbraw/zinc/91/95/05/563919505.db2.gz QMPMEXBHMIYNGL-UHFFFAOYSA-N 1 0 335.835 3.547 40 0 EHABRO Cc1cc(C[N@H+](CCO)Cc2cccnc2)c(C)n1Cc1ccccc1 ZINC000013569664 563930214 /nfs/dbraw/zinc/93/02/14/563930214.db2.gz GMISHFMCQSFJCJ-UHFFFAOYSA-N 1 0 349.478 3.543 40 0 EHABRO C[C@@H]1C[NH2+]CCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071978870 563965969 /nfs/dbraw/zinc/96/59/69/563965969.db2.gz IQWLVBMZMPTXIJ-SECBINFHSA-N 1 0 326.284 3.518 40 0 EHABRO CC(C)C[N@@H+]1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585101821 563971473 /nfs/dbraw/zinc/97/14/73/563971473.db2.gz HLXMPNATYQRNJT-SFHVURJKSA-N 1 0 338.854 3.816 40 0 EHABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)c1 ZINC000585105328 563971556 /nfs/dbraw/zinc/97/15/56/563971556.db2.gz UCSSRXXCEXERSO-KRWDZBQOSA-N 1 0 342.439 3.515 40 0 EHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)s1 ZINC000585105296 563971614 /nfs/dbraw/zinc/97/16/14/563971614.db2.gz SNIMVYZBYRIOFM-INIZCTEOSA-N 1 0 346.521 3.728 40 0 EHABRO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096047009 563978169 /nfs/dbraw/zinc/97/81/69/563978169.db2.gz GBMJCGVQJYYSIH-GOSISDBHSA-N 1 0 346.521 3.938 40 0 EHABRO Cc1occc1C(=O)N1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC000096051578 563978573 /nfs/dbraw/zinc/97/85/73/563978573.db2.gz SMGBWZGSDYYRFH-SFHVURJKSA-N 1 0 342.439 3.698 40 0 EHABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096051581 563978627 /nfs/dbraw/zinc/97/86/27/563978627.db2.gz AXYOHUIXRYLTAV-KRWDZBQOSA-N 1 0 344.480 3.858 40 0 EHABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1ccsc1)CC2 ZINC000096061433 563978867 /nfs/dbraw/zinc/97/88/67/563978867.db2.gz VLCMMUHAQCSUTR-SFHVURJKSA-N 1 0 340.492 3.729 40 0 EHABRO Fc1cccc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC000096075367 563979087 /nfs/dbraw/zinc/97/90/87/563979087.db2.gz VAXAAUODZCBDNH-UHFFFAOYSA-N 1 0 339.458 3.851 40 0 EHABRO Cc1csc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccccn3)C2)n1 ZINC000096111050 563979352 /nfs/dbraw/zinc/97/93/52/563979352.db2.gz AMJOFWJQKPSGTM-APWZRJJASA-N 1 0 343.496 3.665 40 0 EHABRO Cc1noc(C)c1CN1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096215993 563980330 /nfs/dbraw/zinc/98/03/30/563980330.db2.gz OEJCXJUMWYHSFS-NRFANRHFSA-N 1 0 339.483 3.780 40 0 EHABRO Cc1cccc(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)c1 ZINC000096261189 563980630 /nfs/dbraw/zinc/98/06/30/563980630.db2.gz DMTULVBMHFNWGE-NRFANRHFSA-N 1 0 348.490 3.976 40 0 EHABRO O=C(NC1CC2(C1)CC[NH+](Cc1ccccc1Cl)CC2)C1CC1 ZINC000108536111 563984321 /nfs/dbraw/zinc/98/43/21/563984321.db2.gz GNGCCVJGNUOTTH-UHFFFAOYSA-N 1 0 332.875 3.611 40 0 EHABRO c1c(-c2ccc3c(c2)OCCO3)n2c([n+]1-c1ccccc1)CCCCC2 ZINC000001468157 564002022 /nfs/dbraw/zinc/00/20/22/564002022.db2.gz DUALGKRUZDNPPB-UHFFFAOYSA-N 1 0 347.438 3.929 40 0 EHABRO C[NH+](C)CCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000010111340 564018390 /nfs/dbraw/zinc/01/83/90/564018390.db2.gz ZBIVOVWNJDLJMO-OBGWFSINSA-N 1 0 342.870 3.949 40 0 EHABRO CCOc1ccc2[nH]c(=O)c(CNCc3ccccc3Cl)cc2c1 ZINC000013998761 564020870 /nfs/dbraw/zinc/02/08/70/564020870.db2.gz JXBLCEQBIXWWNV-UHFFFAOYSA-N 1 0 342.826 3.870 40 0 EHABRO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3cccs3)C2)o1 ZINC000049170573 564032607 /nfs/dbraw/zinc/03/26/07/564032607.db2.gz RMXZAHBSASFDFV-LBPRGKRZSA-N 1 0 329.400 3.927 40 0 biogenic,in-vitro EHABRO CC(C)CC[N@@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169755 564032654 /nfs/dbraw/zinc/03/26/54/564032654.db2.gz SOYWIKIQSWFOAQ-HNNXBMFYSA-N 1 0 338.455 3.977 40 0 biogenic,in-vitro EHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCC3=CCCCC3)CC2)cc1 ZINC000224530161 564043032 /nfs/dbraw/zinc/04/30/32/564043032.db2.gz AENLETNCWORVMY-UHFFFAOYSA-N 1 0 326.484 3.824 40 0 EHABRO CCOc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1Cl ZINC000225440506 564046773 /nfs/dbraw/zinc/04/67/73/564046773.db2.gz IGDZAJJASNVVPB-UHFFFAOYSA-N 1 0 338.879 3.735 40 0 EHABRO Cc1ncc(-c2ccc(C[C@H]3CCC[N@@H+](CC(C)C)C3)cn2)n1C ZINC000257285340 564054772 /nfs/dbraw/zinc/05/47/72/564054772.db2.gz PGRHOEQCRUMWFD-GOSISDBHSA-N 1 0 326.488 3.701 40 0 EHABRO Cc1nc(Nc2cc(C)nc([C@@H]3CC[N@@H+](C(C)C)C3)n2)sc1C ZINC000257291898 564054866 /nfs/dbraw/zinc/05/48/66/564054866.db2.gz QJCUMXDOAOCGCL-CQSZACIVSA-N 1 0 331.489 3.800 40 0 EHABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)CCc2cccs2)nc1 ZINC000257318536 564055389 /nfs/dbraw/zinc/05/53/89/564055389.db2.gz VOHUJAWYGDYXLR-GOSISDBHSA-N 1 0 343.496 3.501 40 0 EHABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)ccn1 ZINC000257332839 564055572 /nfs/dbraw/zinc/05/55/72/564055572.db2.gz XYXSTYNCVDDQMN-OAQYLSRUSA-N 1 0 349.478 3.609 40 0 EHABRO Fc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)cc1 ZINC000306129490 564062182 /nfs/dbraw/zinc/06/21/82/564062182.db2.gz IESPOGISSLPVGL-RTBURBONSA-N 1 0 347.437 3.994 40 0 EHABRO c1cc(-c2ccc3nc([C@@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)ccn1 ZINC000306129178 564062212 /nfs/dbraw/zinc/06/22/12/564062212.db2.gz HWMXMBBWJUOWFB-QGZVFWFLSA-N 1 0 333.439 3.523 40 0 EHABRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc(C(F)(F)F)ccc3Cl)C2)C1 ZINC000063527708 564066326 /nfs/dbraw/zinc/06/63/26/564066326.db2.gz ZFMDNVTZAQBDKQ-OAHLLOKOSA-N 1 0 332.797 3.886 40 0 EHABRO CCNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328970885 564071057 /nfs/dbraw/zinc/07/10/57/564071057.db2.gz DNHUXEHFHPBCNF-CQSZACIVSA-N 1 0 340.471 3.648 40 0 EHABRO Cc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NCc2ccccc2)[nH+]1 ZINC000328984534 564071275 /nfs/dbraw/zinc/07/12/75/564071275.db2.gz HOTWOOJACGEAPD-KRWDZBQOSA-N 1 0 344.462 3.770 40 0 EHABRO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000002696085 564103704 /nfs/dbraw/zinc/10/37/04/564103704.db2.gz IPRXKSXCCAMYFX-NRFANRHFSA-N 1 0 339.479 3.689 40 0 EHABRO COc1cc(CN2CC[C@]3(C)[NH2+]CCCCC[C@H]23)ccc1OC(C)C ZINC000019713322 564128119 /nfs/dbraw/zinc/12/81/19/564128119.db2.gz ZGZOEHJUBWBNRO-SFTDATJTSA-N 1 0 346.515 3.979 40 0 EHABRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000252514046 564133816 /nfs/dbraw/zinc/13/38/16/564133816.db2.gz AYRHIEIVWIXGOF-YOUFYPILSA-N 1 0 328.500 3.901 40 0 EHABRO c1ccc(CO[C@H]2CCCC[C@H]2[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714680 564150403 /nfs/dbraw/zinc/15/04/03/564150403.db2.gz KHCKVAHSJRUZNI-MHTWAQMVSA-N 1 0 328.500 3.731 40 0 EHABRO c1coc(-c2nnc([C@H]3CC[N@@H+](Cc4c[nH]c5ccccc45)C3)o2)c1 ZINC000049169494 213992286 /nfs/dbraw/zinc/99/22/86/213992286.db2.gz IAYHQDQWYKNFGV-ZDUSSCGKSA-N 1 0 334.379 3.800 40 0 biogenic,in-vitro EHABRO O=C(c1ccco1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000003956037 210095774 /nfs/dbraw/zinc/09/57/74/210095774.db2.gz XNMKWEUDGCIMSJ-UHFFFAOYSA-N 1 0 338.451 3.798 40 0 EHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000039766668 213242932 /nfs/dbraw/zinc/24/29/32/213242932.db2.gz PLDQWKFSZPLAOT-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccco4)[C@H]3C2)o1 ZINC000107746120 219805245 /nfs/dbraw/zinc/80/52/45/219805245.db2.gz DXSBUYCZZPYIQT-RYQLBKOJSA-N 1 0 342.439 3.554 40 0 EHABRO Cc1ccc(-c2ccc(C[C@@]3(C(=O)NC4CC4)CCC[NH2+]C3)cc2)cc1 ZINC000072391907 216191576 /nfs/dbraw/zinc/19/15/76/216191576.db2.gz BEJMHFQOAFJZHA-QHCPKHFHSA-N 1 0 348.490 3.853 40 0 EHABRO COc1cccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000225901964 242075756 /nfs/dbraw/zinc/07/57/56/242075756.db2.gz VMNRIIVPFVOTEL-GOSISDBHSA-N 1 0 338.451 3.570 40 0 EHABRO [NH3+][C@H](c1ccccc1F)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000255190451 244048430 /nfs/dbraw/zinc/04/84/30/244048430.db2.gz XIHDYRGWLFXHEB-IBGZPJMESA-N 1 0 342.414 3.874 40 0 EHABRO CC(C)C(=O)N1CCC[C@@H]2[NH2+][C@](C)(Cc3ccc(Cl)cc3)C[C@@H]21 ZINC000257262496 244350679 /nfs/dbraw/zinc/35/06/79/244350679.db2.gz LLQNFDGBPBJWKG-JENIJYKNSA-N 1 0 334.891 3.650 40 0 EHABRO Clc1ccccc1C[C@H]1CC2(CO1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000257264447 244355283 /nfs/dbraw/zinc/35/52/83/244355283.db2.gz LUKSQNHERFHXCT-INIZCTEOSA-N 1 0 345.874 3.677 40 0 EHABRO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@@H+]2CC(C)(C)C)n1 ZINC000019690972 212055514 /nfs/dbraw/zinc/05/55/14/212055514.db2.gz WXALDVNCAZOLMM-QGZVFWFLSA-N 1 0 325.460 3.612 40 0 EHABRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000019658626 212054219 /nfs/dbraw/zinc/05/42/19/212054219.db2.gz HZIVQDPCUSCFAI-INIZCTEOSA-N 1 0 337.471 3.730 40 0 EHABRO COc1cccc(C(=O)N2CCC[C@@H](c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000019564429 212044132 /nfs/dbraw/zinc/04/41/32/212044132.db2.gz RMOZWJWTBPTGIY-OAHLLOKOSA-N 1 0 335.407 3.591 40 0 EHABRO CCCc1cc(C(=O)N2CCC(c3cc4c[nH+]ccc4[nH]3)CC2)no1 ZINC000019525293 212037778 /nfs/dbraw/zinc/03/77/78/212037778.db2.gz FYRVBIXQFGOSIB-UHFFFAOYSA-N 1 0 338.411 3.523 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](Cc2c3ncccc3[nH]c2C2CCOCC2)C1 ZINC000019462601 212030913 /nfs/dbraw/zinc/03/09/13/212030913.db2.gz DCLFVORTPWNOBH-GJZGRUSLSA-N 1 0 327.472 3.935 40 0 EHABRO C[C@H]1C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019495816 212032290 /nfs/dbraw/zinc/03/22/90/212032290.db2.gz FVEFMSZTHXCPMG-XCZFOBESSA-N 1 0 326.484 3.511 40 0 EHABRO Cc1ccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019210214 212003924 /nfs/dbraw/zinc/00/39/24/212003924.db2.gz HFAIAVPOEQABNE-UHFFFAOYSA-N 1 0 334.423 3.820 40 0 EHABRO Cc1nccc(-c2ccc(-c3noc(C[NH+]4CCC(C)CC4)n3)cc2)n1 ZINC000012337090 211351333 /nfs/dbraw/zinc/35/13/33/211351333.db2.gz OGOGPKQWKLAFOW-UHFFFAOYSA-N 1 0 349.438 3.734 40 0 EHABRO Cc1cc(-c2cnc(NCCC[NH+]3CCCCC3)nc2C(C)C)on1 ZINC000012337236 211351063 /nfs/dbraw/zinc/35/10/63/211351063.db2.gz KXTUXPQSMQAUEF-UHFFFAOYSA-N 1 0 343.475 3.851 40 0 EHABRO OC1(c2cccnc2)CC[NH+](CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000012241494 211328580 /nfs/dbraw/zinc/32/85/80/211328580.db2.gz VCJSOZYIOBJABS-UHFFFAOYSA-N 1 0 342.870 3.750 40 0 EHABRO CC(C)C[N@@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)NCc1cccs1 ZINC000096252233 218722657 /nfs/dbraw/zinc/72/26/57/218722657.db2.gz BTZRIVYFWFUBKO-BYICEURKSA-N 1 0 334.529 3.759 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000004894441 210314029 /nfs/dbraw/zinc/31/40/29/210314029.db2.gz QWLCZUXANZYZJJ-HDICACEKSA-N 1 0 336.479 3.870 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000568298 257869822 /nfs/dbraw/zinc/86/98/22/257869822.db2.gz LBOLHDMSOWWEFB-UHFFFAOYSA-N 1 0 342.439 3.798 40 0 EHABRO CC(C)C(=O)OCC[NH+](CCc1ccccc1)CCc1ccccc1 ZINC000001676423 563402093 /nfs/dbraw/zinc/40/20/93/563402093.db2.gz NUTVRIMBOGQXFD-UHFFFAOYSA-N 1 0 339.479 3.973 40 0 EHABRO COc1cc(OC)c(/C=C/c2cc[n+](C)c3ccccc23)c(OC)c1 ZINC000001731796 563407947 /nfs/dbraw/zinc/40/79/47/563407947.db2.gz CROZCWVFFQMASO-MDZDMXLPSA-N 1 0 336.411 3.861 40 0 EHABRO OCCOc1ccc([C@H](Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000006580588 563573581 /nfs/dbraw/zinc/57/35/81/563573581.db2.gz BLAICGSFYIQXJO-NRFANRHFSA-N 1 0 325.452 3.827 40 0 EHABRO COc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000031664298 563912876 /nfs/dbraw/zinc/91/28/76/563912876.db2.gz SYNAPRCQFXBLOH-UHFFFAOYSA-N 1 0 339.439 3.613 40 0 EHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000032461868 563913809 /nfs/dbraw/zinc/91/38/09/563913809.db2.gz AILIMPFMEPREGC-UHFFFAOYSA-N 1 0 328.843 3.866 40 0 EHABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccc(Cl)cc1Cl ZINC000073642238 563931397 /nfs/dbraw/zinc/93/13/97/563931397.db2.gz IGOYBMXQZKYGDH-UHFFFAOYSA-N 1 0 334.206 3.655 40 0 EHABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100702 563971421 /nfs/dbraw/zinc/97/14/21/563971421.db2.gz UEYQEEUUTFWMIQ-NRFANRHFSA-N 1 0 326.484 3.542 40 0 EHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)co1 ZINC000585105164 563971560 /nfs/dbraw/zinc/97/15/60/563971560.db2.gz PIIGTHSNDXHTBO-GOSISDBHSA-N 1 0 342.439 3.515 40 0 EHABRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4cccs4)C3)CC2=O)s1 ZINC000096050857 563978531 /nfs/dbraw/zinc/97/85/31/563978531.db2.gz BXTFZDMFGIHFPF-KRWDZBQOSA-N 1 0 332.494 3.747 40 0 EHABRO Cc1cc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H](Cc3ccccc3)C2)no1 ZINC000096110299 563979294 /nfs/dbraw/zinc/97/92/94/563979294.db2.gz AUDORJIJZTXRJL-PZJWPPBQSA-N 1 0 340.467 3.843 40 0 EHABRO CO[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@@H]1Cc1cccc(C)c1 ZINC000096207747 563980163 /nfs/dbraw/zinc/98/01/63/563980163.db2.gz BTBSQZFTSFUYKR-AZUAARDMSA-N 1 0 328.456 3.679 40 0 EHABRO Cc1noc(C)c1CN1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000096216071 563980274 /nfs/dbraw/zinc/98/02/74/563980274.db2.gz NCPUFAQCGDFCJV-HXUWFJFHSA-N 1 0 331.504 3.770 40 0 EHABRO c1ccc(OCCN2CCC[C@]3(CC[N@H+](CC4CCC4)C3)C2)cc1 ZINC000096216436 563980324 /nfs/dbraw/zinc/98/03/24/563980324.db2.gz KPRFKUWSNQBREA-NRFANRHFSA-N 1 0 328.500 3.653 40 0 EHABRO Clc1ccc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000096245639 563980627 /nfs/dbraw/zinc/98/06/27/563980627.db2.gz ILRZCRYIGAUDLG-RTBURBONSA-N 1 0 326.871 3.904 40 0 EHABRO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@]12CC[N@H+](CC1CCCC1)C2 ZINC000108527126 563984317 /nfs/dbraw/zinc/98/43/17/563984317.db2.gz GYKSRAGTFGLAPU-AEFFLSMTSA-N 1 0 340.458 3.583 40 0 EHABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219615 563985801 /nfs/dbraw/zinc/98/58/01/563985801.db2.gz GHFLHNDZNPBCJE-HXUWFJFHSA-N 1 0 337.467 3.564 40 0 EHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSC(C)(C)C)CC2)c1 ZINC000009063027 564016540 /nfs/dbraw/zinc/01/65/40/564016540.db2.gz VJSOTJIKRSDQKE-UHFFFAOYSA-N 1 0 348.556 3.855 40 0 EHABRO Cc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063557 564016610 /nfs/dbraw/zinc/01/66/10/564016610.db2.gz QPFNIQYNYCDJHI-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO O=C(NCc1ccccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010330519 564023982 /nfs/dbraw/zinc/02/39/82/564023982.db2.gz KVWCFHFMEBGVAS-UHFFFAOYSA-N 1 0 328.843 3.866 40 0 EHABRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccs2)c(OC)c1 ZINC000019552146 564025216 /nfs/dbraw/zinc/02/52/16/564025216.db2.gz WSSSDVNRQADDTO-HZPDHXFCSA-N 1 0 333.453 3.636 40 0 EHABRO CN(C)c1cc([C@@H]2CCCN2C(=O)/C=C/c2cccs2)ccn1 ZINC000257286593 564054742 /nfs/dbraw/zinc/05/47/42/564054742.db2.gz PMEDUJKEIWKFIP-WAVCKPEOSA-N 1 0 327.453 3.586 40 0 EHABRO Cc1ncc(-c2ccc(C[C@@H]3CCC[N@@H+](CC(C)C)C3)cn2)n1C ZINC000257285341 564054763 /nfs/dbraw/zinc/05/47/63/564054763.db2.gz PGRHOEQCRUMWFD-SFHVURJKSA-N 1 0 326.488 3.701 40 0 EHABRO CCc1cc(N2CCc3ccccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328997777 564071388 /nfs/dbraw/zinc/07/13/88/564071388.db2.gz JPDFQUVINYSDAY-UHFFFAOYSA-N 1 0 344.462 3.636 40 0 EHABRO CC(C)(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000006364112 564112318 /nfs/dbraw/zinc/11/23/18/564112318.db2.gz HSGATDKPAYOOJN-LJQANCHMSA-N 1 0 339.479 3.782 40 0 EHABRO Cc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111114 564127664 /nfs/dbraw/zinc/12/76/64/564127664.db2.gz MGEWXJVSEQTNID-QGZVFWFLSA-N 1 0 334.529 3.858 40 0 EHABRO O[C@H](C[N@@H+]1CCC[C@@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000019342972 564127968 /nfs/dbraw/zinc/12/79/68/564127968.db2.gz YEDVRDIEBWBOLX-RHSMWYFYSA-N 1 0 335.444 3.712 40 0 EHABRO O[C@@H](C[N@@H+]1CCC[C@@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000019342969 564127990 /nfs/dbraw/zinc/12/79/90/564127990.db2.gz YEDVRDIEBWBOLX-PBHICJAKSA-N 1 0 335.444 3.712 40 0 EHABRO Fc1ccc2[nH]c(CO[C@H]3C[N@H+](C4CCCCC4)C[C@H]3F)nc2c1 ZINC000096112220 564145358 /nfs/dbraw/zinc/14/53/58/564145358.db2.gz QXTNCWJOXSYFIU-PBHICJAKSA-N 1 0 335.398 3.574 40 0 biogenic,in-vitro EHABRO CC[C@@]1(C)C[C@@](CC(=O)O[C@@H](C)C[NH+](C)C)(c2ccccc2)CCO1 ZINC000004696773 210250942 /nfs/dbraw/zinc/25/09/42/210250942.db2.gz BQVOKFAZPLBWCA-DZFGPLHGSA-N 1 0 347.499 3.787 40 0 EHABRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039772951 213242134 /nfs/dbraw/zinc/24/21/34/213242134.db2.gz MBVAKXMWKGGFFW-UHFFFAOYSA-N 1 0 330.378 3.816 40 0 EHABRO C[C@@H]1C[N@H+](CCCc2ccc(COc3ccccc3)cc2)CCO1 ZINC000038424827 213209079 /nfs/dbraw/zinc/20/90/79/213209079.db2.gz YTWUUTYVTCWBOS-GOSISDBHSA-N 1 0 325.452 3.919 40 0 EHABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530346 213154359 /nfs/dbraw/zinc/15/43/59/213154359.db2.gz PSKUZPOGYZMETL-VTYCOLDWSA-N 1 0 325.537 3.803 40 0 EHABRO O=C(c1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000036055840 213057677 /nfs/dbraw/zinc/05/76/77/213057677.db2.gz ONAFYSXUZBYFOI-DOIPELPJSA-N 1 0 336.479 3.722 40 0 EHABRO c1cnc(Nc2nccc([C@@H]3CCC[N@H+]3CC3CCCCC3)n2)cn1 ZINC000072377844 216179114 /nfs/dbraw/zinc/17/91/14/216179114.db2.gz TXILFNLYSNFMCW-KRWDZBQOSA-N 1 0 338.459 3.727 40 0 EHABRO Fc1ccccc1Oc1cncc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072384257 216185483 /nfs/dbraw/zinc/18/54/83/216185483.db2.gz CCXLQJJRTGPSFC-QGZVFWFLSA-N 1 0 343.402 3.724 40 0 EHABRO Cc1ncc(-c2ccc(C[C@H]3CCC[N@@H+](C4CCCC4)C3)cn2)n1C ZINC000257221219 244185305 /nfs/dbraw/zinc/18/53/05/244185305.db2.gz DOALMOLRFDPNKY-GOSISDBHSA-N 1 0 338.499 3.988 40 0 EHABRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)c2)n1 ZINC000257239239 244239024 /nfs/dbraw/zinc/23/90/24/244239024.db2.gz HOOGPERZHBUJHT-GOSISDBHSA-N 1 0 346.438 3.656 40 0 EHABRO CC(C)n1cc(-c2cncc(C[C@@H]3CCC[N@@H+](C(C)C)C3)n2)cn1 ZINC000257271560 244380079 /nfs/dbraw/zinc/38/00/79/244380079.db2.gz MYUWHSKJMPWJGQ-INIZCTEOSA-N 1 0 327.476 3.584 40 0 EHABRO Cc1nc(C)c(C(=O)N2CCC(c3cc4c[nH+]ccc4[nH]3)CC2)s1 ZINC000019560006 212042883 /nfs/dbraw/zinc/04/28/83/212042883.db2.gz LOGSQGQKRFMGMY-UHFFFAOYSA-N 1 0 340.452 3.656 40 0 EHABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](CC3CCCCC3)C2)no1 ZINC000019503660 212035134 /nfs/dbraw/zinc/03/51/34/212035134.db2.gz QXJJQDGTYMUGDP-INIZCTEOSA-N 1 0 333.476 3.574 40 0 EHABRO CCCCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019366124 212022467 /nfs/dbraw/zinc/02/24/67/212022467.db2.gz GYVWQTIAPLIQAZ-UHFFFAOYSA-N 1 0 325.294 3.757 40 0 EHABRO c1csc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)c1 ZINC000019343421 212017702 /nfs/dbraw/zinc/01/77/02/212017702.db2.gz BBJNBIMFNUYULH-UHFFFAOYSA-N 1 0 326.425 3.573 40 0 EHABRO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000019293850 212012657 /nfs/dbraw/zinc/01/26/57/212012657.db2.gz FCEVECHKLRWBCO-AZUAARDMSA-N 1 0 344.474 3.829 40 0 EHABRO Clc1cccc(CN2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293423 212012684 /nfs/dbraw/zinc/01/26/84/212012684.db2.gz LHZBXFHAQVBEEN-SFHVURJKSA-N 1 0 342.874 3.503 40 0 EHABRO C[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000012223517 211325382 /nfs/dbraw/zinc/32/53/82/211325382.db2.gz QUTTUHHKTLFVPP-ZDUSSCGKSA-N 1 0 343.393 3.947 40 0 EHABRO FC(F)c1cc([C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129152 211300538 /nfs/dbraw/zinc/30/05/38/211300538.db2.gz WAMANDOOFHKRSW-CWRNSKLLSA-N 1 0 347.409 3.567 40 0 EHABRO O[C@@H](C[C@H]1CCC[C@H](C[C@H](O)c2ccccc2)[NH2+]1)c1ccccc1 ZINC000004974921 210345315 /nfs/dbraw/zinc/34/53/15/210345315.db2.gz UMXDEQATKLAHCQ-CGXNFDGLSA-N 1 0 325.452 3.745 40 0 EHABRO C=C1[NH+]=C(SCC(C)C)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408987255 257883697 /nfs/dbraw/zinc/88/36/97/257883697.db2.gz FJVPIWNPELDSLQ-MRXNPFEDSA-N 1 0 332.469 3.913 40 0 EHABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)/C=C/c2cccs2)ccn1 ZINC000257257197 535992834 /nfs/dbraw/zinc/99/28/34/535992834.db2.gz KOMKTDSGMYXYNL-DVBCCOPCSA-N 1 0 341.480 3.582 40 0 EHABRO COc1ccc([C@@H](Cc2ccc(Cl)c(Cl)c2)[NH2+]CCO)cc1 ZINC000001595160 563395420 /nfs/dbraw/zinc/39/54/20/563395420.db2.gz OOMIHTWYYRQDSH-QGZVFWFLSA-N 1 0 340.250 3.868 40 0 EHABRO O[C@H](CNc1ccnc2cc(Cl)ccc21)C[NH2+]C1CCCCC1 ZINC000001709182 563405725 /nfs/dbraw/zinc/40/57/25/563405725.db2.gz JEWOVFPNPJKWHN-HNNXBMFYSA-N 1 0 333.863 3.583 40 0 EHABRO Cc1ccccc1CSCC(=O)NCCC[NH+]1CCCCCC1 ZINC000013668760 563708250 /nfs/dbraw/zinc/70/82/50/563708250.db2.gz KMATWNKAZXHMID-UHFFFAOYSA-N 1 0 334.529 3.611 40 0 EHABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100793 563971488 /nfs/dbraw/zinc/97/14/88/563971488.db2.gz WSFJDOUUTOEEBZ-RDTXWAMCSA-N 1 0 335.517 3.597 40 0 EHABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1cccs1)CC2 ZINC000096051595 563978669 /nfs/dbraw/zinc/97/86/69/563978669.db2.gz LJQCLSCYKBBEBX-KRWDZBQOSA-N 1 0 344.480 3.858 40 0 EHABRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000096061324 563978886 /nfs/dbraw/zinc/97/88/86/563978886.db2.gz CNBCKRZAHQUQRW-SFHVURJKSA-N 1 0 340.492 3.729 40 0 EHABRO c1csc(C[N@H+]2CC[C@@]3(C2)COCCN(Cc2ccsc2)C3)c1 ZINC000096062393 563979014 /nfs/dbraw/zinc/97/90/14/563979014.db2.gz GVZVYQXXWZSODW-SFHVURJKSA-N 1 0 348.537 3.534 40 0 EHABRO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000096216117 563980317 /nfs/dbraw/zinc/98/03/17/563980317.db2.gz VGHPKEVRNQQYEI-HXUWFJFHSA-N 1 0 341.524 3.940 40 0 EHABRO Cc1cccc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000005981819 564014385 /nfs/dbraw/zinc/01/43/85/564014385.db2.gz XOKJHCJTKQTACP-UHFFFAOYSA-N 1 0 338.451 3.917 40 0 EHABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000009063023 564016554 /nfs/dbraw/zinc/01/65/54/564016554.db2.gz FYMNNKXQAXSLIW-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO Cc1cccc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000009062586 564016583 /nfs/dbraw/zinc/01/65/83/564016583.db2.gz UOCPULQMBMOJQK-UHFFFAOYSA-N 1 0 336.479 3.832 40 0 EHABRO O[C@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cccs1 ZINC000019375790 564023510 /nfs/dbraw/zinc/02/35/10/564023510.db2.gz PQTUVGLKKFMAKS-CZUORRHYSA-N 1 0 327.453 3.537 40 0 EHABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000044933967 564024722 /nfs/dbraw/zinc/02/47/22/564024722.db2.gz ZIFSAIJUTHULLT-LPHOPBHVSA-N 1 0 340.442 3.915 40 0 EHABRO COc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)cc1 ZINC000049170103 564032648 /nfs/dbraw/zinc/03/26/48/564032648.db2.gz VIRKWAJKGNENGZ-HNNXBMFYSA-N 1 0 327.428 3.867 40 0 biogenic,in-vitro EHABRO CC(C)[C@H]1CN(Cc2ccco2)CCN1C(=O)Nc1ccc(F)cc1 ZINC000057729369 564035137 /nfs/dbraw/zinc/03/51/37/564035137.db2.gz LTHIUPMHZGCMRP-GOSISDBHSA-N 1 0 345.418 3.793 40 0 EHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)NC1CCCCC1 ZINC000224705516 564043544 /nfs/dbraw/zinc/04/35/44/564043544.db2.gz SINKSABSARRDGU-UHFFFAOYSA-N 1 0 329.488 3.804 40 0 EHABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225587261 564048030 /nfs/dbraw/zinc/04/80/30/564048030.db2.gz JOFNPZKRMNGYKC-CYBMUJFWSA-N 1 0 344.377 3.688 40 0 EHABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225698730 564049489 /nfs/dbraw/zinc/04/94/89/564049489.db2.gz VHFKLPOJPNWHAC-IBGZPJMESA-N 1 0 336.476 3.551 40 0 EHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812439 564052623 /nfs/dbraw/zinc/05/26/23/564052623.db2.gz BNOLJANVSRFANS-OXQOHEQNSA-N 1 0 348.487 3.693 40 0 EHABRO CNc1cc([C@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)ccn1 ZINC000257286764 564054754 /nfs/dbraw/zinc/05/47/54/564054754.db2.gz PMYHFFPXRSPLKD-KRWDZBQOSA-N 1 0 346.434 3.691 40 0 EHABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2ccc(F)cc2Cl)n1 ZINC000257290856 564054883 /nfs/dbraw/zinc/05/48/83/564054883.db2.gz QEPUYEVOFFHDNC-KRWDZBQOSA-N 1 0 348.853 3.668 40 0 EHABRO Cc1noc(C)c1-c1cccc(C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000257313108 564055285 /nfs/dbraw/zinc/05/52/85/564055285.db2.gz URBXWGGOBZTBLK-UHFFFAOYSA-N 1 0 341.455 3.712 40 0 EHABRO CC(C)[N@@H+]1CCC[C@H]2O[C@H]3c4cccc(O)c4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257321680 564055400 /nfs/dbraw/zinc/05/54/00/564055400.db2.gz WCSKEOVLEHLCPW-AHCXZYCDSA-N 1 0 331.456 3.882 40 0 EHABRO Fc1cccc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306129805 564062148 /nfs/dbraw/zinc/06/21/48/564062148.db2.gz INLOTNQKIDUMJG-OALUTQOASA-N 1 0 347.437 3.994 40 0 EHABRO Cc1ccc(C[N@H+]2C[C@@H]3c4ncc(-c5cccnc5)n4C[C@@H]3C2)s1 ZINC000306143341 564062369 /nfs/dbraw/zinc/06/23/69/564062369.db2.gz XZQWBHARQRYLHK-RDJZCZTQSA-N 1 0 336.464 3.544 40 0 EHABRO CCc1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329043114 564071834 /nfs/dbraw/zinc/07/18/34/564071834.db2.gz SRJXCHOMLGWQGZ-UHFFFAOYSA-N 1 0 328.847 3.829 40 0 EHABRO CN1C(=O)C2(CC[NH+](Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000096100234 564073161 /nfs/dbraw/zinc/07/31/61/564073161.db2.gz LNIOPKFIAQDRIF-QGZVFWFLSA-N 1 0 326.465 3.544 40 0 EHABRO CCC[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421432 564079117 /nfs/dbraw/zinc/07/91/17/564079117.db2.gz QMBXGZRJGZWCJU-LJQANCHMSA-N 1 0 343.492 3.675 40 0 EHABRO CC(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006365141 564112335 /nfs/dbraw/zinc/11/23/35/564112335.db2.gz ZEFIOGRPHXWQOO-FQEVSTJZSA-N 1 0 325.452 3.608 40 0 EHABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000253602793 564124704 /nfs/dbraw/zinc/12/47/04/564124704.db2.gz RVWHIDJMYMUWOP-FUHWJXTLSA-N 1 0 337.467 3.854 40 0 EHABRO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010364212 564127797 /nfs/dbraw/zinc/12/77/97/564127797.db2.gz VQCCMKBSDWOTNG-UHFFFAOYSA-N 1 0 338.495 3.981 40 0 EHABRO CC[NH2+][C@@H]1CN(Cc2cccc(OC)c2OC)C2(C1)CCCCC2 ZINC000019703918 564128059 /nfs/dbraw/zinc/12/80/59/564128059.db2.gz PSDYHDQVEOOTJF-KRWDZBQOSA-N 1 0 332.488 3.591 40 0 EHABRO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2CCC2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111778 564145374 /nfs/dbraw/zinc/14/53/74/564145374.db2.gz VEQNBNZYGHRHIA-ICSRJNTNSA-N 1 0 348.446 3.608 40 0 biogenic,in-vitro EHABRO Clc1cccc(-c2cnc3n2C[C@H](C[NH2+]C2CCCC2)OC3)c1 ZINC000096269353 564146202 /nfs/dbraw/zinc/14/62/02/564146202.db2.gz WWUFDKIQLWFTDH-INIZCTEOSA-N 1 0 331.847 3.635 40 0 biogenic,in-vitro EHABRO COC(=O)c1cccc2nc([C@H]3CC[N@H+](Cc4ccccc4)C3)oc21 ZINC000035446927 213028477 /nfs/dbraw/zinc/02/84/77/213028477.db2.gz OBODXGAIDPOGJF-HNNXBMFYSA-N 1 0 336.391 3.604 40 0 biogenic,in-vitro EHABRO S=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000035312302 213018975 /nfs/dbraw/zinc/01/89/75/213018975.db2.gz QHMVKEDTZRBVLY-QXMXGUDHSA-N 1 0 335.904 3.784 40 0 EHABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379055 216180194 /nfs/dbraw/zinc/18/01/94/216180194.db2.gz FUNHMMIKCLFQRS-QGZVFWFLSA-N 1 0 347.466 3.604 40 0 EHABRO COc1ccc(CN(CC[NH+](C)C)Cc2cccs2)c(C)c1C ZINC000022914993 212334739 /nfs/dbraw/zinc/33/47/39/212334739.db2.gz WGOGZCHGEGDUAI-UHFFFAOYSA-N 1 0 332.513 3.937 40 0 EHABRO Clc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)c(Cl)c1 ZINC000217556027 241258645 /nfs/dbraw/zinc/25/86/45/241258645.db2.gz LNSQQZBGOXCKLA-ZDUSSCGKSA-N 1 0 334.210 3.523 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(Cl)cc2)C1 ZINC000225726779 242005898 /nfs/dbraw/zinc/00/58/98/242005898.db2.gz ZTLCLIFAWUDICC-OKILXGFUSA-N 1 0 339.936 3.994 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(F)c(F)c2)C1 ZINC000225729227 242008896 /nfs/dbraw/zinc/00/88/96/242008896.db2.gz LRQVTDYVVQQZIB-CHWSQXEVSA-N 1 0 341.471 3.619 40 0 EHABRO C[C@@H]1CC[C@@H]2[C@@H](O1)c1ccc3c(c1OC21CC[NH2+]CC1)OC(C)(C)C3 ZINC000257230754 244212932 /nfs/dbraw/zinc/21/29/32/244212932.db2.gz GDTBZPZSPDGDKW-QBIMZIAESA-N 1 0 343.467 3.771 40 0 EHABRO CCCn1nc(C)c(-c2cncn2C[C@H](C)[NH+]2CCCCC2)c1C ZINC000019654561 212053122 /nfs/dbraw/zinc/05/31/22/212053122.db2.gz PRKIZDUHAILHNZ-HNNXBMFYSA-N 1 0 329.492 3.648 40 0 EHABRO CCc1ncc(CN(Cc2cccs2)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000019523294 212036805 /nfs/dbraw/zinc/03/68/05/212036805.db2.gz JIKSFYIPJOYICO-KRWDZBQOSA-N 1 0 344.528 3.587 40 0 EHABRO Brc1ccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019361668 212021044 /nfs/dbraw/zinc/02/10/44/212021044.db2.gz ORSOTLDCGHFTFF-JZXOWHBKSA-N 1 0 349.316 3.755 40 0 EHABRO c1cc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cs1 ZINC000012668461 211431237 /nfs/dbraw/zinc/43/12/37/211431237.db2.gz QTLBYHORHMKPRE-UHFFFAOYSA-N 1 0 326.425 3.573 40 0 EHABRO CC[NH+](CC)CCCNc1c(C)c(C)nc2cc(-c3ccco3)nn21 ZINC000012251553 211329643 /nfs/dbraw/zinc/32/96/43/211329643.db2.gz BSRPONYKCAUKLN-UHFFFAOYSA-N 1 0 341.459 3.750 40 0 EHABRO Cc1c(C[N@H+](C)CCOc2ccccc2)cnn1Cc1ccccc1 ZINC000012188746 211316031 /nfs/dbraw/zinc/31/60/31/211316031.db2.gz MWOOYZMOEPFUJS-UHFFFAOYSA-N 1 0 335.451 3.751 40 0 EHABRO CCCn1nc(C)c(C[N@@H+](Cc2ccc(C)s2)C[C@@H](C)O)c1C ZINC000012185889 211314047 /nfs/dbraw/zinc/31/40/47/211314047.db2.gz JEKJMVRPAOWOAL-CYBMUJFWSA-N 1 0 335.517 3.663 40 0 EHABRO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000012119159 211298120 /nfs/dbraw/zinc/29/81/20/211298120.db2.gz ITUWCPKZFFHTMT-INIZCTEOSA-N 1 0 347.418 3.913 40 0 EHABRO C[C@@H]([NH2+]C[C@@H](O)COC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010434696 211172966 /nfs/dbraw/zinc/17/29/66/211172966.db2.gz ZVPLSJPATOUUND-PHFQPQGRSA-N 1 0 329.484 3.684 40 0 EHABRO CCOc1ccc(Cl)cc1C[NH2+]CCCSc1ncccn1 ZINC000004998972 210355535 /nfs/dbraw/zinc/35/55/35/210355535.db2.gz GMCMCQKLGMYYMI-UHFFFAOYSA-N 1 0 337.876 3.801 40 0 EHABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1 ZINC000257221856 536040990 /nfs/dbraw/zinc/04/09/90/536040990.db2.gz DQVARZAVGZHXTI-HXUWFJFHSA-N 1 0 349.478 3.539 40 0 EHABRO C[NH+](C)C[C@@H](O)CN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000005848729 563552121 /nfs/dbraw/zinc/55/21/21/563552121.db2.gz AAOBFUBMMARQGD-CYBMUJFWSA-N 1 0 334.872 3.865 40 0 EHABRO O=C(CCc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007849896 563616559 /nfs/dbraw/zinc/61/65/59/563616559.db2.gz VHAJPLBECYPJOW-UHFFFAOYSA-N 1 0 336.479 3.922 40 0 EHABRO O=C(CCc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430537 563630107 /nfs/dbraw/zinc/63/01/07/563630107.db2.gz JCQXVOLEJASOJU-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO O=c1[nH]cc(-c2ccc(F)cc2)cc1C[NH2+]Cc1cccc(F)c1 ZINC000012670605 563667513 /nfs/dbraw/zinc/66/75/13/563667513.db2.gz ZTXVCIVOYLKZQQ-UHFFFAOYSA-N 1 0 326.346 3.610 40 0 EHABRO Cc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000013649749 563707106 /nfs/dbraw/zinc/70/71/06/563707106.db2.gz LCQZLJPEHLEPNK-UHFFFAOYSA-N 1 0 336.479 3.953 40 0 EHABRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCCC(C)(C)C3)CC2)c1 ZINC000039760147 563900487 /nfs/dbraw/zinc/90/04/87/563900487.db2.gz LWOJKPNTMAYQJA-UHFFFAOYSA-N 1 0 328.500 3.856 40 0 EHABRO CCOC(=O)C[C@H]1C(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000033732081 563916476 /nfs/dbraw/zinc/91/64/76/563916476.db2.gz HRWUEUOAAKJSEV-BBTUJRGHSA-N 1 0 337.419 3.601 40 0 EHABRO O=C(NC1CC[NH2+]CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000034033112 563916730 /nfs/dbraw/zinc/91/67/30/563916730.db2.gz AQANXBKFOZBCIY-UHFFFAOYSA-N 1 0 348.368 3.854 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccccc2Cl)C1 ZINC000044140356 563926243 /nfs/dbraw/zinc/92/62/43/563926243.db2.gz CQRHCIKLUVEXIY-ZIAGYGMSSA-N 1 0 339.936 3.994 40 0 EHABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@@H]12 ZINC000096058443 563978769 /nfs/dbraw/zinc/97/87/69/563978769.db2.gz MCCIKYFKNXEUPM-WOJBJXKFSA-N 1 0 340.492 3.513 40 0 EHABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccsc3)C[C@H]12 ZINC000096058450 563978781 /nfs/dbraw/zinc/97/87/81/563978781.db2.gz PFZHTKMXLGYDMR-PMACEKPBSA-N 1 0 340.492 3.513 40 0 EHABRO Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3cccc4ccccc43)C2)o1 ZINC000096064975 563978978 /nfs/dbraw/zinc/97/89/78/563978978.db2.gz OPCOMWSSJRYMOR-MISYRCLQSA-N 1 0 349.434 3.678 40 0 EHABRO c1csc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)c1 ZINC000096206101 563980141 /nfs/dbraw/zinc/98/01/41/563980141.db2.gz XXJCLFAMCWPWMU-MJGOQNOKSA-N 1 0 343.496 3.626 40 0 EHABRO COCC[NH+]1CCC2(C[C@H](OCC3CC3)c3ccc(C)cc32)CC1 ZINC000096241747 563980502 /nfs/dbraw/zinc/98/05/02/563980502.db2.gz FWVDOLFKWQOAJB-FQEVSTJZSA-N 1 0 329.484 3.846 40 0 EHABRO Clc1ccc2ncc(-c3cccc(CC[C@H]4CCC[NH2+]4)n3)n2c1 ZINC000585263077 563980907 /nfs/dbraw/zinc/98/09/07/563980907.db2.gz IVMQHWFJXVUWCW-CQSZACIVSA-N 1 0 326.831 3.734 40 0 EHABRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)c1C ZINC000585289951 563982037 /nfs/dbraw/zinc/98/20/37/563982037.db2.gz OPPXOINPTFDYCE-PWRODBHTSA-N 1 0 343.442 3.893 40 0 EHABRO CC[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289577 563982039 /nfs/dbraw/zinc/98/20/39/563982039.db2.gz RTXCXXFLYVKQQN-PWRODBHTSA-N 1 0 325.452 3.870 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCc3cccc(F)c3)[C@H]2O)c1 ZINC000585288489 563982069 /nfs/dbraw/zinc/98/20/69/563982069.db2.gz BRYPPMYNNKNAGC-PWRODBHTSA-N 1 0 343.442 3.627 40 0 EHABRO Cc1cccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000005981709 564014395 /nfs/dbraw/zinc/01/43/95/564014395.db2.gz ROJFXUNGCAIAQL-UHFFFAOYSA-N 1 0 338.451 3.998 40 0 EHABRO COCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000008469243 564016354 /nfs/dbraw/zinc/01/63/54/564016354.db2.gz WCRKKDSAUZHPLG-UHFFFAOYSA-N 1 0 335.831 3.664 40 0 EHABRO COc1ccc2ccccc2c1C[N@H+](CCO)Cc1cccs1 ZINC000013997524 564020887 /nfs/dbraw/zinc/02/08/87/564020887.db2.gz DROTXRVFABKGCD-UHFFFAOYSA-N 1 0 327.449 3.904 40 0 EHABRO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000049170004 564032623 /nfs/dbraw/zinc/03/26/23/564032623.db2.gz XKGORMYXGSYWGT-AWEZNQCLSA-N 1 0 327.428 3.867 40 0 biogenic,in-vitro EHABRO Cc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1 ZINC000224637710 564043362 /nfs/dbraw/zinc/04/33/62/564043362.db2.gz IUWBMCGRMVHZBV-UHFFFAOYSA-N 1 0 336.479 3.758 40 0 EHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225602084 564048257 /nfs/dbraw/zinc/04/82/57/564048257.db2.gz RIXKPOKJESAPLF-FQEVSTJZSA-N 1 0 348.487 3.551 40 0 EHABRO CNc1cc([C@H]2CCCN2C(=O)c2ccc3ncccc3c2)ccn1 ZINC000257287269 564054780 /nfs/dbraw/zinc/05/47/80/564054780.db2.gz PPFQWPLMWAVGIQ-GOSISDBHSA-N 1 0 332.407 3.649 40 0 EHABRO Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000257289837 564054841 /nfs/dbraw/zinc/05/48/41/564054841.db2.gz QAJZWKZOOYYBFV-SFHVURJKSA-N 1 0 347.466 3.811 40 0 EHABRO C[NH+]1CCC(N2CCC[C@H]2c2ncc(Cc3ccccc3F)o2)CC1 ZINC000257296351 564054960 /nfs/dbraw/zinc/05/49/60/564054960.db2.gz RCJRTGKRQNAIRS-IBGZPJMESA-N 1 0 343.446 3.636 40 0 EHABRO Fc1ccc(C[NH+]2CCC3(CO[C@H](Cc4cccnc4)C3)CC2)cc1 ZINC000257315428 564055280 /nfs/dbraw/zinc/05/52/80/564055280.db2.gz VBHVPDDYHNSZOS-HXUWFJFHSA-N 1 0 340.442 3.835 40 0 EHABRO c1csc([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257323055 564055429 /nfs/dbraw/zinc/05/54/29/564055429.db2.gz WIOQDTAZAVEWEJ-QGZVFWFLSA-N 1 0 336.464 3.980 40 0 EHABRO Fc1ccc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306129488 564062223 /nfs/dbraw/zinc/06/22/23/564062223.db2.gz IESPOGISSLPVGL-OALUTQOASA-N 1 0 347.437 3.994 40 0 EHABRO CNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccncc2)n1 ZINC000329058420 564072032 /nfs/dbraw/zinc/07/20/32/564072032.db2.gz WCVRCYVSZPRNNA-UHFFFAOYSA-N 1 0 345.328 3.765 40 0 EHABRO O[C@H](COc1ccc(F)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006061038 564074348 /nfs/dbraw/zinc/07/43/48/564074348.db2.gz GMUWNBGBPFJGJI-FQEVSTJZSA-N 1 0 343.442 3.520 40 0 EHABRO CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000224913913 1120190164 /nfs/dbraw/zinc/19/01/64/1120190164.db2.gz IHQSWPOUPYXQNN-ZGUYJTEBSA-N 1 0 330.472 3.968 40 0 EHABRO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 ZINC000331876619 1137924045 /nfs/dbraw/zinc/92/40/45/1137924045.db2.gz UQUGFIKIAXMFML-MNOVXSKESA-N 1 0 328.338 3.666 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000004263211 210153821 /nfs/dbraw/zinc/15/38/21/210153821.db2.gz OCWKRSVQUNLLTR-OBJOEFQTSA-N 1 0 332.271 3.711 40 0 EHABRO CC[C@@H]1[C@H](c2ccc(OC)cc2)[NH2+][C@@H](c2ccc(OC)cc2)C[C@@H]1O ZINC000102063716 219183342 /nfs/dbraw/zinc/18/33/42/219183342.db2.gz WBWWKIRERSPQIP-WOZUAGRISA-N 1 0 341.451 3.867 40 0 EHABRO CC1(C)CC(N(Cc2cccnc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740526 213114326 /nfs/dbraw/zinc/11/43/26/213114326.db2.gz QBOARYHGZSCZDW-UHFFFAOYSA-N 1 0 338.499 3.788 40 0 EHABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000035092980 213007873 /nfs/dbraw/zinc/00/78/73/213007873.db2.gz QWQMPFKMFZXHDM-JKWXVORWSA-N 1 0 335.532 3.843 40 0 EHABRO CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC[NH+]3CCCCC3)nnc12 ZINC000000415597 209579419 /nfs/dbraw/zinc/57/94/19/209579419.db2.gz BLTVOQXKMCVBHF-SCLBCKFNSA-N 1 0 332.517 3.625 40 0 EHABRO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)on1 ZINC000072334675 216156375 /nfs/dbraw/zinc/15/63/75/216156375.db2.gz UGOFIKZCMWTORM-KRWDZBQOSA-N 1 0 349.438 3.523 40 0 EHABRO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000072359067 216166035 /nfs/dbraw/zinc/16/60/35/216166035.db2.gz VNZSWVXACYKPOQ-MRXNPFEDSA-N 1 0 341.430 3.641 40 0 EHABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCC[NH2+]C1 ZINC000072391917 216191453 /nfs/dbraw/zinc/19/14/53/216191453.db2.gz BDBHRCZWCCRWEJ-JOCHJYFZSA-N 1 0 336.479 3.791 40 0 EHABRO c1csc(-c2nnc(C3CC[NH+](Cc4ccncc4)CC3)o2)c1 ZINC000072389929 216189183 /nfs/dbraw/zinc/18/91/83/216189183.db2.gz HRODLSAANNTRHT-UHFFFAOYSA-N 1 0 326.425 3.573 40 0 EHABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000072393643 216193360 /nfs/dbraw/zinc/19/33/60/216193360.db2.gz QVXKEBHZHCZKIR-SZMVWBNQSA-N 1 0 341.499 3.986 40 0 EHABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cc(Cl)ccc1Cl ZINC000073642242 216404657 /nfs/dbraw/zinc/40/46/57/216404657.db2.gz GZBSGOPPUUKSHX-UHFFFAOYSA-N 1 0 334.206 3.655 40 0 EHABRO C[NH+](C)CCN(Cc1cccn1C1CCCCC1)Cc1ccccn1 ZINC000022913967 212333265 /nfs/dbraw/zinc/33/32/65/212333265.db2.gz XCCFGIASQPNWJI-UHFFFAOYSA-N 1 0 340.515 3.952 40 0 EHABRO Cc1nc(N2CCc3ccccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000242849623 243023026 /nfs/dbraw/zinc/02/30/26/243023026.db2.gz FYWJYCAADIMEHK-UHFFFAOYSA-N 1 0 330.435 3.960 40 0 EHABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020492525 212139261 /nfs/dbraw/zinc/13/92/61/212139261.db2.gz XUYKJJGQDOBIFX-NSHGMRRFSA-N 1 0 346.515 3.637 40 0 EHABRO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020456724 212131892 /nfs/dbraw/zinc/13/18/92/212131892.db2.gz OUZKVEKIGLMALI-ZHALLVOQSA-N 1 0 346.515 3.637 40 0 EHABRO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C(=O)OC(C)(C)C ZINC000257209788 244146257 /nfs/dbraw/zinc/14/62/57/244146257.db2.gz BRWXABGRZNWULM-BRWVUGGUSA-N 1 0 334.435 3.623 40 0 EHABRO c1cnc(Nc2cncc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cn1 ZINC000257259961 244294066 /nfs/dbraw/zinc/29/40/66/244294066.db2.gz LAUDHLIXWFQSNL-HNNXBMFYSA-N 1 0 338.459 3.522 40 0 EHABRO CC(C)n1cc(-c2nccnc2C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257258535 244290672 /nfs/dbraw/zinc/29/06/72/244290672.db2.gz KUKQGHHTGCBKPB-MRXNPFEDSA-N 1 0 327.476 3.584 40 0 EHABRO CC(C)n1nccc1-c1nccnc1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000257274351 244389575 /nfs/dbraw/zinc/38/95/75/244389575.db2.gz NKQHRESLAIGDDL-MRXNPFEDSA-N 1 0 327.476 3.584 40 0 EHABRO C[NH+](C)CCN(Cc1ccncc1)Cc1ccc(Cl)cc1Cl ZINC000019582711 212047680 /nfs/dbraw/zinc/04/76/80/212047680.db2.gz ORAZKJLQPKXSTQ-UHFFFAOYSA-N 1 0 338.282 3.952 40 0 EHABRO O[C@@H](c1ccccc1)[C@@H](NCC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000019366031 212023062 /nfs/dbraw/zinc/02/30/62/212023062.db2.gz SGOMBIGJIMEQGI-GOTSBHOMSA-N 1 0 346.474 3.841 40 0 EHABRO c1cc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cs1 ZINC000019341484 212018611 /nfs/dbraw/zinc/01/86/11/212018611.db2.gz DSINDGNPGJMHCH-UHFFFAOYSA-N 1 0 326.425 3.573 40 0 EHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2cc(C)cc(C)c21 ZINC000012362769 211356016 /nfs/dbraw/zinc/35/60/16/211356016.db2.gz NCKQEZUGGNZFKM-QGZVFWFLSA-N 1 0 341.499 3.626 40 0 EHABRO COc1c(C)cccc1C[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012328684 211349030 /nfs/dbraw/zinc/34/90/30/211349030.db2.gz HPNLPAMXGPVEPO-UHFFFAOYSA-N 1 0 325.452 3.796 40 0 EHABRO CCCn1nc(C)c(C[N@@H+](Cc2sccc2C)C[C@H](C)O)c1C ZINC000012185501 211314015 /nfs/dbraw/zinc/31/40/15/211314015.db2.gz AZLKHSHJXSNGJT-AWEZNQCLSA-N 1 0 335.517 3.663 40 0 EHABRO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000012119064 211297819 /nfs/dbraw/zinc/29/78/19/211297819.db2.gz QQJYQLGKUMPRBS-INIZCTEOSA-N 1 0 326.371 3.571 40 0 EHABRO CC1(c2cccc[n+]2Cc2ccc(Cl)c(Cl)c2)OCCO1 ZINC000001578110 563393579 /nfs/dbraw/zinc/39/35/79/563393579.db2.gz MONNZJRJHPTUPC-UHFFFAOYSA-N 1 0 325.215 3.549 40 0 EHABRO CC[NH+](CC)CCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001668770 563401321 /nfs/dbraw/zinc/40/13/21/563401321.db2.gz OFYQRWBTZQABFW-LEWJYISDSA-N 1 0 326.484 3.783 40 0 EHABRO CC[NH+](CC)CCSC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000001710797 563406183 /nfs/dbraw/zinc/40/61/83/563406183.db2.gz ASMYRLFGSFSFLJ-IBGZPJMESA-N 1 0 335.513 3.666 40 0 EHABRO O[C@H](C[NH+]1CCCC1)c1cc2cc(Br)ccc2s1 ZINC000006567339 563572758 /nfs/dbraw/zinc/57/27/58/563572758.db2.gz RXIKWIMNBGJIMG-GFCCVEGCSA-N 1 0 326.259 3.793 40 0 EHABRO COCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008469071 563630905 /nfs/dbraw/zinc/63/09/05/563630905.db2.gz UCXWTSLBSQJDSP-UHFFFAOYSA-N 1 0 335.831 3.664 40 0 EHABRO O=C(NCCc1ccc(F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016640394 563818464 /nfs/dbraw/zinc/81/84/64/563818464.db2.gz KSALGPDTWVYRIC-UHFFFAOYSA-N 1 0 340.442 3.784 40 0 EHABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000030858700 563911185 /nfs/dbraw/zinc/91/11/85/563911185.db2.gz YKTSJTNARVPURU-SFHVURJKSA-N 1 0 332.488 3.535 40 0 EHABRO COc1ccccc1CN(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000030862144 563911252 /nfs/dbraw/zinc/91/12/52/563911252.db2.gz QGKDFUXNOVALFU-UHFFFAOYSA-N 1 0 338.451 3.563 40 0 EHABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100461 563971343 /nfs/dbraw/zinc/97/13/43/563971343.db2.gz KYDVTQQWWABNJO-HXUWFJFHSA-N 1 0 332.463 3.973 40 0 EHABRO OCC[N@H+](Cc1ccccc1)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000095935037 563977799 /nfs/dbraw/zinc/97/77/99/563977799.db2.gz VLOIRQINEHZGIT-DHIUTWEWSA-N 1 0 347.458 3.956 40 0 EHABRO CC[C@H]1[N@H+](CC2CCC2)CCC[C@]12CCC(=O)N2Cc1ccncc1 ZINC000096045699 563977971 /nfs/dbraw/zinc/97/79/71/563977971.db2.gz BRBLGJOTFCQFSV-CTNGQTDRSA-N 1 0 341.499 3.617 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)o1 ZINC000096047016 563978187 /nfs/dbraw/zinc/97/81/87/563978187.db2.gz YUABDOATDQDXNZ-IBGZPJMESA-N 1 0 344.480 3.778 40 0 EHABRO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)cc1 ZINC000096047613 563978242 /nfs/dbraw/zinc/97/82/42/563978242.db2.gz YKCPKELHLDNUBK-HKUYNNGSSA-N 1 0 344.480 3.602 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)o1 ZINC000096048741 563978346 /nfs/dbraw/zinc/97/83/46/563978346.db2.gz XNHXNTWOQSQUFA-GOSISDBHSA-N 1 0 330.453 3.669 40 0 EHABRO O=C1CCC2(CC[NH+](Cc3cccs3)CC2)N1Cc1ccccc1 ZINC000096049411 563978395 /nfs/dbraw/zinc/97/83/95/563978395.db2.gz XWDLZSQENVRQCX-UHFFFAOYSA-N 1 0 340.492 3.905 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)o1 ZINC000096051130 563978616 /nfs/dbraw/zinc/97/86/16/563978616.db2.gz NHGCNILBAFZGAW-SFHVURJKSA-N 1 0 347.409 3.721 40 0 EHABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21)NC1CC1 ZINC000096053013 563978726 /nfs/dbraw/zinc/97/87/26/563978726.db2.gz PPXUGAQIYHBVGU-QGZVFWFLSA-N 1 0 338.495 3.586 40 0 EHABRO c1csc(CN2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096062390 563978942 /nfs/dbraw/zinc/97/89/42/563978942.db2.gz FSLGEILHWVDBLD-GOSISDBHSA-N 1 0 348.537 3.534 40 0 EHABRO CC(C)C[N@@H+]1CCC[C@@]12CCCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000096071318 563979026 /nfs/dbraw/zinc/97/90/26/563979026.db2.gz WDRHNRTVBVHALT-HXUWFJFHSA-N 1 0 348.918 3.996 40 0 EHABRO Cc1nc(CN2C(=O)CCC23CCC([NH2+]CC(C)C)CC3)cs1 ZINC000096075871 563979095 /nfs/dbraw/zinc/97/90/95/563979095.db2.gz YPLMZZYDFCEUFS-UHFFFAOYSA-N 1 0 335.517 3.501 40 0 EHABRO CN1C(=O)C2(CC[NH+](Cc3ccsc3)CC2)[C@@H]1c1ccccc1 ZINC000096100239 563979161 /nfs/dbraw/zinc/97/91/61/563979161.db2.gz RXIVFJVJCTVEID-KRWDZBQOSA-N 1 0 326.465 3.544 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1ccccc1C ZINC000260458037 563999937 /nfs/dbraw/zinc/99/99/37/563999937.db2.gz NPPOLHNDRSKGOR-ROUUACIJSA-N 1 0 332.488 3.533 40 0 EHABRO CC(C)(C)C[N@@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169769 564032617 /nfs/dbraw/zinc/03/26/17/564032617.db2.gz RFMMQCCFFZBBTD-AWEZNQCLSA-N 1 0 338.455 3.977 40 0 biogenic,in-vitro EHABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000252669846 564033061 /nfs/dbraw/zinc/03/30/61/564033061.db2.gz IUOWKWOLHMLRTR-ULQDDVLXSA-N 1 0 345.487 3.885 40 0 EHABRO CCc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224638574 564043357 /nfs/dbraw/zinc/04/33/57/564043357.db2.gz VCZYPWZLQRDSLC-UHFFFAOYSA-N 1 0 336.479 3.704 40 0 EHABRO O=C(CCc1ccc(Cl)cc1Cl)NCCC[NH+]1CCCCC1 ZINC000225372846 564046253 /nfs/dbraw/zinc/04/62/53/564046253.db2.gz VWLIFXNPJHRMDQ-UHFFFAOYSA-N 1 0 343.298 3.918 40 0 EHABRO c1cc(COCC[C@H]2CCOC23CC[NH+](CC2CCC2)CC3)ccn1 ZINC000248328219 564053128 /nfs/dbraw/zinc/05/31/28/564053128.db2.gz BEYWIAFZQGQJIC-FQEVSTJZSA-N 1 0 344.499 3.660 40 0 EHABRO Cn1cc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)cn1 ZINC000257297566 564054977 /nfs/dbraw/zinc/05/49/77/564054977.db2.gz RHVMCEABPINEJQ-FQEVSTJZSA-N 1 0 333.439 3.604 40 0 EHABRO COc1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]c(C(C)C)n1)C2 ZINC000328990310 564071286 /nfs/dbraw/zinc/07/12/86/564071286.db2.gz IMUJURBTOKBTEO-UHFFFAOYSA-N 1 0 338.455 3.746 40 0 EHABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccccc1 ZINC000013991303 564087300 /nfs/dbraw/zinc/08/73/00/564087300.db2.gz ZGCUASCGQUIHHW-UHFFFAOYSA-N 1 0 335.451 3.984 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000016606739 564090614 /nfs/dbraw/zinc/09/06/14/564090614.db2.gz UCYSKLHQNBHXCM-HQRMLTQVSA-N 1 0 326.484 3.512 40 0 EHABRO CCC(=O)N1CCC2(CC1)C[C@@H]([N@@H+](C)CC)C[C@@H](c1ccccc1)O2 ZINC000019712757 564128130 /nfs/dbraw/zinc/12/81/30/564128130.db2.gz PJTSPRUQTICLSS-OALUTQOASA-N 1 0 344.499 3.630 40 0 EHABRO CN(C)[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C)C ZINC000022442730 564177328 /nfs/dbraw/zinc/17/73/28/564177328.db2.gz YZQNFFLGIYEXMM-OAHLLOKOSA-N 1 0 327.497 3.781 40 0 in-man EHABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2cccc(Cl)c2)CC1 ZINC000098213784 219088064 /nfs/dbraw/zinc/08/80/64/219088064.db2.gz WCZOXDHXTDBNPV-UHFFFAOYSA-N 1 0 338.879 3.859 40 0 EHABRO FC(F)(F)c1cc(CN2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000067796702 215214971 /nfs/dbraw/zinc/21/49/71/215214971.db2.gz LYBIDGDFZMZSCK-UHFFFAOYSA-N 1 0 326.284 3.520 40 0 EHABRO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000039748503 213242473 /nfs/dbraw/zinc/24/24/73/213242473.db2.gz VRUOVNWEIROOLA-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000035425833 213027660 /nfs/dbraw/zinc/02/76/60/213027660.db2.gz BWKXHSCYGXDJOS-HNNXBMFYSA-N 1 0 328.416 3.610 40 0 biogenic,in-vitro EHABRO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000035312298 213019504 /nfs/dbraw/zinc/01/95/04/213019504.db2.gz LLVYYRIKBWLJJV-ZXFUBFMLSA-N 1 0 329.513 3.748 40 0 EHABRO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072360100 216165544 /nfs/dbraw/zinc/16/55/44/216165544.db2.gz LGNWNDSUUNXSDA-GOSISDBHSA-N 1 0 346.438 3.656 40 0 EHABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072355520 216164278 /nfs/dbraw/zinc/16/42/78/216164278.db2.gz FVJXJYMQQPZIKP-INIZCTEOSA-N 1 0 339.487 3.737 40 0 EHABRO c1cn(-c2cccc([C@@H]3CCC[N@@H+](CCOc4ccccc4)C3)n2)cn1 ZINC000072378783 216180303 /nfs/dbraw/zinc/18/03/03/216180303.db2.gz YIDUCVLPKQMEND-GOSISDBHSA-N 1 0 348.450 3.526 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390029 216190263 /nfs/dbraw/zinc/19/02/63/216190263.db2.gz YEHCDLPYLUEPRN-KRWDZBQOSA-N 1 0 334.423 3.820 40 0 EHABRO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[NH2+]C1 ZINC000072391936 216191730 /nfs/dbraw/zinc/19/17/30/216191730.db2.gz JYKUODXHOSGJOL-FQEVSTJZSA-N 1 0 342.508 3.710 40 0 EHABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257233093 244220855 /nfs/dbraw/zinc/22/08/55/244220855.db2.gz GNTOTNUBQGUNND-KRWDZBQOSA-N 1 0 333.439 3.555 40 0 EHABRO CC(C)n1cc(-c2nccnc2CC2CC[NH+](C(C)C)CC2)cn1 ZINC000257233988 244222868 /nfs/dbraw/zinc/22/28/68/244222868.db2.gz GROZQHGVBUFKAW-UHFFFAOYSA-N 1 0 327.476 3.584 40 0 EHABRO c1cc2c(cccc2C[C@@H]2COCC[N@H+](Cc3cncs3)C2)o1 ZINC000257235344 244225401 /nfs/dbraw/zinc/22/54/01/244225401.db2.gz GXKMVHXHQXUHNR-AWEZNQCLSA-N 1 0 328.437 3.580 40 0 EHABRO CC(C)n1nccc1-c1nccnc1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000257274350 244389355 /nfs/dbraw/zinc/38/93/55/244389355.db2.gz NKQHRESLAIGDDL-INIZCTEOSA-N 1 0 327.476 3.584 40 0 EHABRO C[N@H+](CCc1ccccn1)Cc1c2cccnc2[nH]c1-c1ccco1 ZINC000019586260 212049428 /nfs/dbraw/zinc/04/94/28/212049428.db2.gz KKROWRWBIKVHMR-UHFFFAOYSA-N 1 0 332.407 3.892 40 0 EHABRO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019523828 212038336 /nfs/dbraw/zinc/03/83/36/212038336.db2.gz KPHAJNHLYCUKJS-QGZVFWFLSA-N 1 0 337.471 3.776 40 0 EHABRO C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1ccccc1 ZINC000019456530 212029524 /nfs/dbraw/zinc/02/95/24/212029524.db2.gz RKRBCFGKEBIHOU-INIZCTEOSA-N 1 0 343.434 3.685 40 0 EHABRO Nc1cc2cc(F)ccc2nc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000019346109 212020228 /nfs/dbraw/zinc/02/02/28/212020228.db2.gz QSCHIBWYKFOKOI-UHFFFAOYSA-N 1 0 336.414 3.731 40 0 EHABRO Fc1ccccc1C[NH+]1CCC(c2nnc(-c3cccnc3)o2)CC1 ZINC000019348919 212019267 /nfs/dbraw/zinc/01/92/67/212019267.db2.gz VKZUKTPRIRJWND-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO CC[C@H]1[N+](c2ccccc2)=C2CCCN2[C@]1(O)c1ccc(Cl)cc1 ZINC000015230852 211809119 /nfs/dbraw/zinc/80/91/19/211809119.db2.gz MCDAKGLADSITDO-QUCCMNQESA-N 1 0 341.862 3.989 40 0 EHABRO Fc1ccccc1C[NH+]1CCC(c2noc(-c3ccccn3)n2)CC1 ZINC000012668409 211431814 /nfs/dbraw/zinc/43/18/14/211431814.db2.gz DAQQFXLPPKQKSD-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO Cc1cnc(-c2nc(C3CC[NH+](CC4CCCCC4)CC3)no2)cn1 ZINC000012187321 211314040 /nfs/dbraw/zinc/31/40/40/211314040.db2.gz DFLJNRBPJFHVQS-UHFFFAOYSA-N 1 0 341.459 3.595 40 0 EHABRO O=C(Nc1ccc(F)cc1F)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004882599 210310801 /nfs/dbraw/zinc/31/08/01/210310801.db2.gz MUBISMFWBQSXPH-LQDVMPOASA-N 1 0 335.398 3.634 40 0 EHABRO CCOc1cccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225729677 535469627 /nfs/dbraw/zinc/46/96/27/535469627.db2.gz ZATFVQHRZMIHSS-HOTGVXAUSA-N 1 0 349.544 3.740 40 0 EHABRO O=S(=O)(CCC[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000001665714 563400645 /nfs/dbraw/zinc/40/06/45/563400645.db2.gz CIJNLJMENAMKPK-UHFFFAOYSA-N 1 0 343.492 3.677 40 0 EHABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000002694478 563445849 /nfs/dbraw/zinc/44/58/49/563445849.db2.gz WSEOTWCMPKAJSV-YLJYHZDGSA-N 1 0 339.479 3.998 40 0 EHABRO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008327036 563626887 /nfs/dbraw/zinc/62/68/87/563626887.db2.gz NJGPHHGTSGQFDU-MRXNPFEDSA-N 1 0 349.858 3.788 40 0 EHABRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008326315 563626929 /nfs/dbraw/zinc/62/69/29/563626929.db2.gz JNOIPIRSHBYVQA-KRWDZBQOSA-N 1 0 337.822 3.919 40 0 EHABRO O=C(Cc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189335 563869682 /nfs/dbraw/zinc/86/96/82/563869682.db2.gz MIJHYHDSQZFKOV-UHFFFAOYSA-N 1 0 342.870 3.795 40 0 EHABRO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)c1 ZINC000585105502 563971507 /nfs/dbraw/zinc/97/15/07/563971507.db2.gz YEKMSRFKZVQAFZ-LJQANCHMSA-N 1 0 340.492 3.667 40 0 EHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)cs1 ZINC000585105292 563971633 /nfs/dbraw/zinc/97/16/33/563971633.db2.gz SKHBPJXABBQSEY-GOSISDBHSA-N 1 0 335.513 3.936 40 0 EHABRO c1csc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)c1 ZINC000096046941 563978139 /nfs/dbraw/zinc/97/81/39/563978139.db2.gz OGFPZOMLLGDHGQ-IBGZPJMESA-N 1 0 327.497 3.631 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000096047589 563978255 /nfs/dbraw/zinc/97/82/55/563978255.db2.gz PWISKJJIVVAGDI-PKOBYXMFSA-N 1 0 330.403 3.573 40 0 EHABRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096049326 563978444 /nfs/dbraw/zinc/97/84/44/563978444.db2.gz GMZWUQDFGQJYLW-UHFFFAOYSA-N 1 0 330.453 3.612 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)s1 ZINC000096050721 563978509 /nfs/dbraw/zinc/97/85/09/563978509.db2.gz VSUPQPCWFZIBMZ-IBGZPJMESA-N 1 0 344.455 3.825 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccs3)C[C@@H]21 ZINC000096054598 563978701 /nfs/dbraw/zinc/97/87/01/563978701.db2.gz NMVMOJUPFNJQDD-BHYGNILZSA-N 1 0 344.480 3.714 40 0 EHABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccsc3)C[C@H]12 ZINC000096058449 563978766 /nfs/dbraw/zinc/97/87/66/563978766.db2.gz PFZHTKMXLGYDMR-VQTJNVASSA-N 1 0 340.492 3.513 40 0 EHABRO COc1ccc2c(c1)C1(CCN(Cc3ccsc3)CC1)[N@@H+](C)CC2 ZINC000096100210 563979189 /nfs/dbraw/zinc/97/91/89/563979189.db2.gz DKZJJZCFHNSKFJ-UHFFFAOYSA-N 1 0 342.508 3.736 40 0 EHABRO Cc1noc(C)c1CN1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000096216069 563980352 /nfs/dbraw/zinc/98/03/52/563980352.db2.gz NCPUFAQCGDFCJV-FQEVSTJZSA-N 1 0 331.504 3.770 40 0 EHABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2cc(F)ccc21 ZINC000096241832 563980571 /nfs/dbraw/zinc/98/05/71/563980571.db2.gz HTSLDZLTXRXJNR-INIZCTEOSA-N 1 0 344.474 3.535 40 0 EHABRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)s1 ZINC000096255232 563980602 /nfs/dbraw/zinc/98/06/02/563980602.db2.gz NSCMEIWNGFMXDB-UHFFFAOYSA-N 1 0 336.464 3.509 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCc2ccccc2)[C@H]1O ZINC000585289162 563981958 /nfs/dbraw/zinc/98/19/58/563981958.db2.gz NETONTQODBIPIA-KSEOMHKRSA-N 1 0 339.479 3.878 40 0 EHABRO COc1ccc(C[N@@H+](Cc2ccsc2)C[C@H]2CCCO2)cc1OC ZINC000013994146 564020826 /nfs/dbraw/zinc/02/08/26/564020826.db2.gz WLDHFABTRDLEOI-QGZVFWFLSA-N 1 0 347.480 3.947 40 0 EHABRO O=C(NCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010329473 564023990 /nfs/dbraw/zinc/02/39/90/564023990.db2.gz OHLFSVQBLUGIEG-UHFFFAOYSA-N 1 0 328.843 3.866 40 0 EHABRO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224552264 564043112 /nfs/dbraw/zinc/04/31/12/564043112.db2.gz ODJMQPOQINSGOW-UHFFFAOYSA-N 1 0 330.447 3.654 40 0 EHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225602174 564048249 /nfs/dbraw/zinc/04/82/49/564048249.db2.gz KYFUHTDUENTHJV-UZLBHIALSA-N 1 0 348.487 3.551 40 0 EHABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225650053 564048996 /nfs/dbraw/zinc/04/89/96/564048996.db2.gz CTGQLKWUCQNXFF-IBGZPJMESA-N 1 0 336.476 3.551 40 0 EHABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225692498 564049416 /nfs/dbraw/zinc/04/94/16/564049416.db2.gz DNRPWIGSCCJOIU-HXUWFJFHSA-N 1 0 348.487 3.695 40 0 EHABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCCCC1 ZINC000225709357 564049630 /nfs/dbraw/zinc/04/96/30/564049630.db2.gz SSKHZTIIVBTDEZ-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 ZINC000257285311 564054676 /nfs/dbraw/zinc/05/46/76/564054676.db2.gz PGODJCBXVULLFD-HNNXBMFYSA-N 1 0 334.423 3.543 40 0 EHABRO Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000257289836 564054814 /nfs/dbraw/zinc/05/48/14/564054814.db2.gz QAJZWKZOOYYBFV-GOSISDBHSA-N 1 0 347.466 3.811 40 0 EHABRO COc1cccc(Cc2cnc([C@H]3CC[N@H+](Cc4cccnc4)C3)o2)c1 ZINC000257343011 564055819 /nfs/dbraw/zinc/05/58/19/564055819.db2.gz ZRBHFKNYWXJOEY-SFHVURJKSA-N 1 0 349.434 3.659 40 0 EHABRO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@H+](Cc3ccoc3)C1)C2 ZINC000306138555 564062289 /nfs/dbraw/zinc/06/22/89/564062289.db2.gz SATQGSIKISDRBF-NRFANRHFSA-N 1 0 349.434 3.600 40 0 EHABRO CCNc1cc(N2CCc3ccc(Br)cc3C2)nc(C)[nH+]1 ZINC000329008513 564071482 /nfs/dbraw/zinc/07/14/82/564071482.db2.gz LRUFHIANFBHAAR-UHFFFAOYSA-N 1 0 347.260 3.542 40 0 EHABRO CCc1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000329036447 564071740 /nfs/dbraw/zinc/07/17/40/564071740.db2.gz RIVFCPISRDWGQB-CYBMUJFWSA-N 1 0 344.890 3.887 40 0 EHABRO CC[C@H](C)Nc1nc(NCc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329031821 564071749 /nfs/dbraw/zinc/07/17/49/564071749.db2.gz QLVKVMVDSMQJBD-LBPRGKRZSA-N 1 0 330.863 3.674 40 0 EHABRO COc1cc2c(c(Cl)c1OC)CC[N@H+](C)C[C@@H]2c1ccccc1 ZINC000001590934 564095788 /nfs/dbraw/zinc/09/57/88/564095788.db2.gz VDCYGTBDVYWJFQ-MRXNPFEDSA-N 1 0 331.843 3.977 40 0 EHABRO COc1cc2c(c(Cl)c1OC)CC[N@H+](C)C[C@H]2c1ccccc1 ZINC000005662919 564111785 /nfs/dbraw/zinc/11/17/85/564111785.db2.gz VDCYGTBDVYWJFQ-INIZCTEOSA-N 1 0 331.843 3.977 40 0 EHABRO CCC[N@H+]1CC=C(c2nn3c(nnc3-c3ccccc3C)s2)CC1 ZINC000226250306 564117186 /nfs/dbraw/zinc/11/71/86/564117186.db2.gz GAALBVKGOPIJBW-UHFFFAOYSA-N 1 0 339.468 3.660 40 0 EHABRO CC(C)c1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228932721 564118149 /nfs/dbraw/zinc/11/81/49/564118149.db2.gz OCKUEVWKNMNCHW-UHFFFAOYSA-N 1 0 336.443 3.618 40 0 EHABRO Cc1cccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000264041174 564124737 /nfs/dbraw/zinc/12/47/37/564124737.db2.gz CDMBNMXMOKUDQV-UHFFFAOYSA-N 1 0 334.463 3.658 40 0 EHABRO CCc1cc(OC)c(CC[NH2+]Cc2ccccc2OC)cc1OC ZINC000096024579 564128673 /nfs/dbraw/zinc/12/86/73/564128673.db2.gz PXDVGFGXPVCNAB-UHFFFAOYSA-N 1 0 329.440 3.607 40 0 in-vitro EHABRO c1cncc(-c2ccc3nc([C@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)c1 ZINC000306128224 1137871356 /nfs/dbraw/zinc/87/13/56/1137871356.db2.gz GUQZYTHKFKSWFM-KRWDZBQOSA-N 1 0 333.439 3.523 40 0 EHABRO COc1ccc(CC[C@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000034157050 212975518 /nfs/dbraw/zinc/97/55/18/212975518.db2.gz FRJMDYSVLCJWQC-INIZCTEOSA-N 1 0 343.467 3.866 40 0 in-vitro EHABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358504 216166377 /nfs/dbraw/zinc/16/63/77/216166377.db2.gz YKTYMKDMWOAXBW-OAHLLOKOSA-N 1 0 331.847 3.623 40 0 EHABRO CCc1nccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072355453 216164582 /nfs/dbraw/zinc/16/45/82/216164582.db2.gz QUZOKZKHEACNDN-SFHVURJKSA-N 1 0 347.466 3.604 40 0 EHABRO c1ccc(Oc2nccnc2C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000072362854 216169672 /nfs/dbraw/zinc/16/96/72/216169672.db2.gz KVEWKNNMXZRXGU-UHFFFAOYSA-N 1 0 339.439 3.627 40 0 EHABRO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+](CC4CC4)C3)n2)n1 ZINC000072375997 216178621 /nfs/dbraw/zinc/17/86/21/216178621.db2.gz QCOJYBGPKICFPR-QGZVFWFLSA-N 1 0 337.471 3.821 40 0 EHABRO Cc1ccc(-c2ccc(C[C@]3(C(=O)NC4CC4)CCC[NH2+]C3)cc2)cc1 ZINC000072391906 216191704 /nfs/dbraw/zinc/19/17/04/216191704.db2.gz BEJMHFQOAFJZHA-HSZRJFAPSA-N 1 0 348.490 3.853 40 0 EHABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225738264 242012475 /nfs/dbraw/zinc/01/24/75/242012475.db2.gz UDLOLDIBPDCUFO-IBGZPJMESA-N 1 0 336.476 3.551 40 0 EHABRO CCCOc1c(Br)cc(C[NH2+]CC(C)C)cc1OC ZINC000020932844 212190278 /nfs/dbraw/zinc/19/02/78/212190278.db2.gz KQMQLJRMZUHXSS-UHFFFAOYSA-N 1 0 330.266 3.992 40 0 EHABRO Cc1nc(Nc2cc([C@@H]3CC[N@@H+](C(C)C)C3)nc(C)n2)sc1C ZINC000257221196 244185273 /nfs/dbraw/zinc/18/52/73/244185273.db2.gz DNXQLWPVXCXDPC-CQSZACIVSA-N 1 0 331.489 3.800 40 0 EHABRO COCCC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000257231820 244216425 /nfs/dbraw/zinc/21/64/25/244216425.db2.gz GIHYCJQKKJLJRL-ZJOUEHCJSA-N 1 0 344.499 3.630 40 0 EHABRO Cc1cnc([C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)s1 ZINC000257245026 244255249 /nfs/dbraw/zinc/25/52/49/244255249.db2.gz INVABXNQKBGMFD-QGZVFWFLSA-N 1 0 343.496 3.533 40 0 EHABRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)n1 ZINC000257235572 244227080 /nfs/dbraw/zinc/22/70/80/244227080.db2.gz GYKSLDSLOBHAEJ-GOSISDBHSA-N 1 0 346.438 3.656 40 0 EHABRO C[C@H](Cn1cncc1-c1cnn(-c2ccccc2)c1)[NH+]1CCCCC1 ZINC000019719529 212057229 /nfs/dbraw/zinc/05/72/29/212057229.db2.gz JQHDVKSIKMDLSJ-QGZVFWFLSA-N 1 0 335.455 3.610 40 0 EHABRO CN(C(=O)C(C)(C)C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019080980 212000087 /nfs/dbraw/zinc/00/00/87/212000087.db2.gz WOHJKTNNWBVLJE-UHFFFAOYSA-N 1 0 344.499 3.697 40 0 EHABRO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000079438506 217225029 /nfs/dbraw/zinc/22/50/29/217225029.db2.gz FBHMIRRWYJBWRH-QWHCGFSZSA-N 1 0 325.478 3.583 40 0 EHABRO CC[C@H]1[N+](c2ccccc2)=C2CCCN2[C@@]1(O)c1ccc(Cl)cc1 ZINC000015230850 211809479 /nfs/dbraw/zinc/80/94/79/211809479.db2.gz MCDAKGLADSITDO-UYAOXDASSA-N 1 0 341.862 3.989 40 0 EHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2cc(C)cc(C)c21 ZINC000012362766 211355729 /nfs/dbraw/zinc/35/57/29/211355729.db2.gz NCKQEZUGGNZFKM-KRWDZBQOSA-N 1 0 341.499 3.626 40 0 EHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc21 ZINC000012362911 211355785 /nfs/dbraw/zinc/35/57/85/211355785.db2.gz UAXNSKKEXMKKNJ-OAHLLOKOSA-N 1 0 347.890 3.663 40 0 EHABRO C[C@H]1Cc2cc(C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc2O1 ZINC000012363605 211355671 /nfs/dbraw/zinc/35/56/71/211355671.db2.gz UHKGKNZWYHKNRY-HNNXBMFYSA-N 1 0 341.426 3.633 40 0 EHABRO Cc1nc2cc(C)ccn2c1C[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012147587 211307338 /nfs/dbraw/zinc/30/73/38/211307338.db2.gz CTXLSIBTRZPESP-UHFFFAOYSA-N 1 0 349.478 3.743 40 0 EHABRO COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cccc(C)n2)c1 ZINC000012085293 211288624 /nfs/dbraw/zinc/28/86/24/211288624.db2.gz PJFBBRGAHXJKKO-CDXJDZJCSA-N 1 0 338.451 3.831 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC[C@H](c4nc(C)no4)O3)CC2)s1 ZINC000096218530 218693914 /nfs/dbraw/zinc/69/39/14/218693914.db2.gz IHJRZFTYGAGLOY-OAHLLOKOSA-N 1 0 333.457 3.634 40 0 EHABRO COC(=O)C1=CCC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]12 ZINC000005048143 210374682 /nfs/dbraw/zinc/37/46/82/210374682.db2.gz DFDNBRUSLQYVNA-BOFPYLFWSA-N 1 0 336.435 3.596 40 0 EHABRO C[N@H+](CCN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118922722 221204561 /nfs/dbraw/zinc/20/45/61/221204561.db2.gz NDAWUPLIPPNPGL-NOECQHEYSA-N 1 0 348.575 3.649 40 0 EHABRO C[NH+](C)C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934888 221205954 /nfs/dbraw/zinc/20/59/54/221205954.db2.gz JZXWQNLDFVFNTR-PKAJHXTNSA-N 1 0 345.527 3.667 40 0 EHABRO Cc1ccc(SCCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013670717 257912231 /nfs/dbraw/zinc/91/22/31/257912231.db2.gz DORJGZFQWKDCHT-UHFFFAOYSA-N 1 0 334.529 3.860 40 0 EHABRO CCSC1(SCC)C(=O)OC2=C(CCCCC2)[C@H]1[NH+](C)C ZINC000031759753 563912908 /nfs/dbraw/zinc/91/29/08/563912908.db2.gz CCUKNXILYRZVMB-CQSZACIVSA-N 1 0 329.531 3.894 40 0 EHABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCCC1 ZINC000225331034 564045981 /nfs/dbraw/zinc/04/59/81/564045981.db2.gz CORIWNNVBOOMIT-UHFFFAOYSA-N 1 0 329.271 3.528 40 0 EHABRO CC(C)(CC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+]1CCCC1 ZINC000001655402 563399522 /nfs/dbraw/zinc/39/95/22/563399522.db2.gz GBZRFXFNIIPAJN-UHFFFAOYSA-N 1 0 336.479 3.723 40 0 EHABRO C[NH+](C)CCCNCc1ccccc1OCc1ccccc1Cl ZINC000008373917 563627871 /nfs/dbraw/zinc/62/78/71/563627871.db2.gz FEPQGCBFPSXFFH-UHFFFAOYSA-N 1 0 332.875 3.960 40 0 EHABRO C[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008377023 563628284 /nfs/dbraw/zinc/62/82/84/563628284.db2.gz KTCSWCDXCFWSNF-UHFFFAOYSA-N 1 0 336.838 3.757 40 0 EHABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(C)cc1 ZINC000008550132 563632356 /nfs/dbraw/zinc/63/23/56/563632356.db2.gz RDYJRKLGRNLSPC-UHFFFAOYSA-N 1 0 342.483 3.624 40 0 EHABRO Cc1ccc(NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000023102918 563865625 /nfs/dbraw/zinc/86/56/25/563865625.db2.gz NLLGBTASSBKJIU-UHFFFAOYSA-N 1 0 340.496 3.556 40 0 EHABRO CCOC(=O)C[C@H]1C(=O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000033732079 563916444 /nfs/dbraw/zinc/91/64/44/563916444.db2.gz HRWUEUOAAKJSEV-WFXMLNOXSA-N 1 0 337.419 3.601 40 0 EHABRO O=C(N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1)C1(F)CC1 ZINC000585100365 563971347 /nfs/dbraw/zinc/97/13/47/563971347.db2.gz JOSOCOULMRAKRM-IBGZPJMESA-N 1 0 348.437 3.675 40 0 EHABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)o1 ZINC000585109645 563971641 /nfs/dbraw/zinc/97/16/41/563971641.db2.gz HOYGEYJEYIUTOQ-CMKODMSKSA-N 1 0 338.451 3.744 40 0 EHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)cc1 ZINC000585105232 563971646 /nfs/dbraw/zinc/97/16/46/563971646.db2.gz RBJXJAKSGAZNHF-LJQANCHMSA-N 1 0 340.492 3.667 40 0 EHABRO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046168 563977973 /nfs/dbraw/zinc/97/79/73/563977973.db2.gz ANUFKRYZRYRWAP-USXIJHARSA-N 1 0 329.469 3.507 40 0 EHABRO c1coc(C[NH+]2CCC3(CCN(Cc4nccs4)CC3)CC2)c1 ZINC000096047212 563978221 /nfs/dbraw/zinc/97/82/21/563978221.db2.gz NRZSZEQMJYZIPJ-UHFFFAOYSA-N 1 0 331.485 3.614 40 0 EHABRO c1cc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)co1 ZINC000096047846 563978374 /nfs/dbraw/zinc/97/83/74/563978374.db2.gz NEBKXEOKKZAGQC-LJQANCHMSA-N 1 0 327.424 3.620 40 0 EHABRO FC1(F)CC[N@H+](Cc2ccccn2)C[C@@]12CCN(c1ccccc1)C2 ZINC000096051112 563978474 /nfs/dbraw/zinc/97/84/74/563978474.db2.gz REVJAPRIEKJSAO-LJQANCHMSA-N 1 0 343.421 3.819 40 0 EHABRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2nccs2)[C@H]1Cc1ccccc1 ZINC000096061661 563979004 /nfs/dbraw/zinc/97/90/04/563979004.db2.gz RUVYBBRQJLVROM-MSOLQXFVSA-N 1 0 329.513 3.669 40 0 EHABRO Cc1cccc(C[C@H]2C[N@@H+](C3CCOCC3)CC[C@@H]2OCC2CC2)c1 ZINC000096207004 563980124 /nfs/dbraw/zinc/98/01/24/563980124.db2.gz YRKBEVDIFYLIFQ-UNMCSNQZSA-N 1 0 343.511 3.834 40 0 EHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+][C@H](CO)CC3CCCCC3)cc2c1 ZINC000585295349 563982832 /nfs/dbraw/zinc/98/28/32/563982832.db2.gz WDNMNWWXHIPXPD-IBGZPJMESA-N 1 0 342.483 3.978 40 0 EHABRO Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000192311992 564025278 /nfs/dbraw/zinc/02/52/78/564025278.db2.gz PZBGJDOBRVJMRV-UHFFFAOYSA-N 1 0 342.870 3.827 40 0 EHABRO COc1ccc([C@@H]2CC(N)=[NH+]N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000222547804 564036942 /nfs/dbraw/zinc/03/69/42/564036942.db2.gz GITZRHCRSCYTKB-HNNXBMFYSA-N 1 0 335.329 3.938 40 0 EHABRO CO[C@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225635994 564048776 /nfs/dbraw/zinc/04/87/76/564048776.db2.gz OOEKDCHRKRYXKC-OXJNMPFZSA-N 1 0 348.487 3.551 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccs3)C[C@@H]21 ZINC000248122765 564052979 /nfs/dbraw/zinc/05/29/79/564052979.db2.gz NMVMOJUPFNJQDD-HYVNUMGLSA-N 1 0 344.480 3.714 40 0 EHABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)nc1 ZINC000257285462 564054740 /nfs/dbraw/zinc/05/47/40/564054740.db2.gz PHDVMSAGMGTOKT-RPAADVPWSA-N 1 0 335.451 3.520 40 0 EHABRO Cc1ncc(CN(C)C)c([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257318689 564055422 /nfs/dbraw/zinc/05/54/22/564055422.db2.gz VOZWRWSVUBLIQT-FQEVSTJZSA-N 1 0 349.482 3.665 40 0 EHABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000027666045 564079157 /nfs/dbraw/zinc/07/91/57/564079157.db2.gz QWQMPFKMFZXHDM-UJERFKDHSA-N 1 0 335.532 3.843 40 0 EHABRO CCc1ccccc1O[C@H](C)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000020104736 564128086 /nfs/dbraw/zinc/12/80/86/564128086.db2.gz NXMZYPWJKOVDCC-IEBWSBKVSA-N 1 0 346.515 3.787 40 0 EHABRO c1nc(Nc2cncc(C3CC[NH2+]CC3)n2)sc1-c1ccccc1 ZINC000143346123 564174252 /nfs/dbraw/zinc/17/42/52/564174252.db2.gz SHJMJPKJIIXYTP-UHFFFAOYSA-N 1 0 337.452 3.811 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)CC2CCCCC2)c2ccccn2)CC1 ZINC000100750274 219106079 /nfs/dbraw/zinc/10/60/79/219106079.db2.gz SQNURBFQUCIBTH-UEXGIBASSA-N 1 0 343.515 3.974 40 0 EHABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832851 213226803 /nfs/dbraw/zinc/22/68/03/213226803.db2.gz TZJGCXIBJFIDOF-QFBILLFUSA-N 1 0 340.442 3.915 40 0 EHABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)cn1 ZINC000072358120 216166060 /nfs/dbraw/zinc/16/60/60/216166060.db2.gz BYKCTVNGZVLHQL-OAQYLSRUSA-N 1 0 332.451 3.743 40 0 EHABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000072369851 216178141 /nfs/dbraw/zinc/17/81/41/216178141.db2.gz DBDKADZKTJDEGE-QGZVFWFLSA-N 1 0 335.407 3.735 40 0 EHABRO c1ccc(-c2nnc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)o2)nc1 ZINC000072390038 216189178 /nfs/dbraw/zinc/18/91/78/216189178.db2.gz OEOHZFDGGMDNBE-INIZCTEOSA-N 1 0 326.444 3.891 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389976 216189869 /nfs/dbraw/zinc/18/98/69/216189869.db2.gz PNMDMMHNXFPTLT-GOSISDBHSA-N 1 0 334.423 3.554 40 0 EHABRO O=c1cc(C2CC[NH+](Cc3ccccc3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392692 216191555 /nfs/dbraw/zinc/19/15/55/216191555.db2.gz ARVORMDYLOHKKX-UHFFFAOYSA-N 1 0 346.434 3.624 40 0 EHABRO Cc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408116 212295149 /nfs/dbraw/zinc/29/51/49/212295149.db2.gz YKYUBRVIYRTYDY-QFIPXVFZSA-N 1 0 335.471 3.954 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(Cl)cc1F ZINC000224663863 241771518 /nfs/dbraw/zinc/77/15/18/241771518.db2.gz QTFNLHQBHHVDKL-MRXNPFEDSA-N 1 0 340.870 3.792 40 0 EHABRO CCOC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC(C)CC1 ZINC000225720042 242001963 /nfs/dbraw/zinc/00/19/63/242001963.db2.gz BUACWPHAGOZOPQ-UHFFFAOYSA-N 1 0 348.487 3.551 40 0 EHABRO CC[NH+](CC)CCCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1 ZINC000225602541 241947947 /nfs/dbraw/zinc/94/79/47/241947947.db2.gz LJOBOSAPGJYAOK-LJQANCHMSA-N 1 0 336.476 3.551 40 0 EHABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020459542 212133431 /nfs/dbraw/zinc/13/34/31/212133431.db2.gz NJJBMMXKKRDDNS-FQEVSTJZSA-N 1 0 346.515 3.843 40 0 EHABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000020455945 212131905 /nfs/dbraw/zinc/13/19/05/212131905.db2.gz NOSPERQSFFBYCU-QGZVFWFLSA-N 1 0 332.488 3.570 40 0 EHABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccccc3)nc2)ccn1 ZINC000257199602 244115361 /nfs/dbraw/zinc/11/53/61/244115361.db2.gz AABSBXXJYLPLBP-IBGZPJMESA-N 1 0 345.450 3.917 40 0 EHABRO O=C(c1ccsc1)N1CCC[C@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257199703 244115420 /nfs/dbraw/zinc/11/54/20/244115420.db2.gz AAOARSIQDLZZAE-SFHVURJKSA-N 1 0 341.480 3.716 40 0 EHABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257219671 244177451 /nfs/dbraw/zinc/17/74/51/244177451.db2.gz DHPZTYCIJVIUAO-CYBMUJFWSA-N 1 0 327.457 3.549 40 0 EHABRO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3)ccn2)n1 ZINC000257219762 244182539 /nfs/dbraw/zinc/18/25/39/244182539.db2.gz DIAFGMRLTJIRSJ-SFHVURJKSA-N 1 0 348.454 3.599 40 0 EHABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257273261 244387072 /nfs/dbraw/zinc/38/70/72/244387072.db2.gz NFWOSHRDGJZVJR-PXNSSMCTSA-N 1 0 343.446 3.752 40 0 EHABRO CCCn1ncc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019525951 212038343 /nfs/dbraw/zinc/03/83/43/212038343.db2.gz KZPLCZNPOBYAAA-KRWDZBQOSA-N 1 0 337.471 3.857 40 0 EHABRO CCN(CC)CC[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000019365921 212023083 /nfs/dbraw/zinc/02/30/83/212023083.db2.gz LWFOWNOBPVMQDT-NRFANRHFSA-N 1 0 326.484 3.910 40 0 EHABRO O[C@H](c1ccccc1)[C@H](NCC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000019366030 212022721 /nfs/dbraw/zinc/02/27/21/212022721.db2.gz SGOMBIGJIMEQGI-DHIUTWEWSA-N 1 0 346.474 3.841 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(c2nnc(-c3cccnc3)o2)CC1 ZINC000019237172 212006855 /nfs/dbraw/zinc/00/68/55/212006855.db2.gz JAJHZIKWORXANM-UHFFFAOYSA-N 1 0 334.423 3.820 40 0 EHABRO Cc1nn(C(C)C)c(C)c1CN(CCC[NH+](C)C)Cc1ccco1 ZINC000012186841 211313994 /nfs/dbraw/zinc/31/39/94/211313994.db2.gz QFVBZGPIWJSKOZ-UHFFFAOYSA-N 1 0 332.492 3.628 40 0 EHABRO COc1ccc(C2([NH2+]Cc3c[nH]nc3-c3cccc(OC)c3)CC2)cc1 ZINC000012117039 211295789 /nfs/dbraw/zinc/29/57/89/211295789.db2.gz GPNMOSQNBSXXAM-UHFFFAOYSA-N 1 0 349.434 3.873 40 0 EHABRO CC(C)c1nccc([C@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046178 218532780 /nfs/dbraw/zinc/53/27/80/218532780.db2.gz JGHPNAHFNSHOMR-CGTJXYLNSA-N 1 0 327.428 3.545 40 0 EHABRO CC(C)CNC(=O)CCc1cccc2c3cccc(CC[NH3+])c3oc21 ZINC000005715925 210522993 /nfs/dbraw/zinc/52/29/93/210522993.db2.gz YTCNYFLFSXWAPC-UHFFFAOYSA-N 1 0 338.451 3.792 40 0 EHABRO Cc1cc(C)cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000004882619 210311388 /nfs/dbraw/zinc/31/13/88/210311388.db2.gz AMZPPGBEXVZIEB-JLYLLQBASA-N 1 0 327.472 3.973 40 0 EHABRO CCCCCCOC(=O)c1ccc(NC(=O)C[NH+](CC)CC)cc1 ZINC000004792394 210278735 /nfs/dbraw/zinc/27/87/35/210278735.db2.gz PZXPHEIUVXOIKJ-UHFFFAOYSA-N 1 0 334.460 3.704 40 0 EHABRO Fc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329008541 257905962 /nfs/dbraw/zinc/90/59/62/257905962.db2.gz LSVWWBWYPNWATM-UHFFFAOYSA-N 1 0 340.446 3.694 40 0 EHABRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCCc2ccccc21 ZINC000039767091 132397919 /nfs/dbraw/zinc/39/79/19/132397919.db2.gz UNGZZWRBWWIPNG-UHFFFAOYSA-N 1 0 334.463 3.878 40 0 EHABRO C[N@@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3)c2)C1 ZINC000257232943 536459901 /nfs/dbraw/zinc/45/99/01/536459901.db2.gz GNBHUYHDZMDQJE-QGZVFWFLSA-N 1 0 333.439 3.503 40 0 EHABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000226721208 535095404 /nfs/dbraw/zinc/09/54/04/535095404.db2.gz QJAWMQQAZFJDAY-ITTUMRLJSA-N 1 0 343.511 3.637 40 0 EHABRO COc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224647022 536998913 /nfs/dbraw/zinc/99/89/13/536998913.db2.gz ZJYMVSHJTNRGKO-UHFFFAOYSA-N 1 0 338.451 3.611 40 0 EHABRO OCCOc1ccccc1[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000001666334 563400588 /nfs/dbraw/zinc/40/05/88/563400588.db2.gz NGZRVPZBAAAMOZ-HXUWFJFHSA-N 1 0 325.452 3.827 40 0 EHABRO CCCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](O)c1ccc(OC)cc1 ZINC000001667065 563401006 /nfs/dbraw/zinc/40/10/06/563401006.db2.gz KKNCJFHFHVEYGP-UXHICEINSA-N 1 0 329.440 3.868 40 0 EHABRO CCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](O)c1ccc(OC)cc1 ZINC000001667064 563401009 /nfs/dbraw/zinc/40/10/09/563401009.db2.gz KKNCJFHFHVEYGP-PMACEKPBSA-N 1 0 329.440 3.868 40 0 EHABRO Cc1ccccc1C(=O)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408607191 563495706 /nfs/dbraw/zinc/49/57/06/563495706.db2.gz JSDWQFRTTFFUIO-HXUWFJFHSA-N 1 0 334.463 3.658 40 0 EHABRO C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CC[NH+]=C5CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000006266591 563563390 /nfs/dbraw/zinc/56/33/90/563563390.db2.gz IYTWAYCUKKPIHQ-PLVDSEAXSA-N 1 0 328.500 3.982 40 0 in-vitro EHABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000007027256 563593859 /nfs/dbraw/zinc/59/38/59/563593859.db2.gz OFVGVCZFRWMREG-UHFFFAOYSA-N 1 0 343.899 3.888 40 0 EHABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008326349 563626764 /nfs/dbraw/zinc/62/67/64/563626764.db2.gz QGZAUDIRGZDMBN-INIZCTEOSA-N 1 0 349.858 3.788 40 0 EHABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008326345 563626862 /nfs/dbraw/zinc/62/68/62/563626862.db2.gz HFHLFMBEBBHJAW-KRWDZBQOSA-N 1 0 349.858 3.788 40 0 EHABRO C[NH+](C)CCCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000008373892 563627896 /nfs/dbraw/zinc/62/78/96/563627896.db2.gz AATGXRPGHDNGKJ-UHFFFAOYSA-N 1 0 332.875 3.960 40 0 EHABRO COc1ccc(C[C@@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)cc1OC ZINC000026665488 563892607 /nfs/dbraw/zinc/89/26/07/563892607.db2.gz GDAJGLDMCDMPIR-SFHVURJKSA-N 1 0 336.435 3.923 40 0 in-vitro EHABRO Cc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462580 563913806 /nfs/dbraw/zinc/91/38/06/563913806.db2.gz BHKAECQTBLUYLY-VAWYXSNFSA-N 1 0 334.463 3.920 40 0 EHABRO Fc1cccc2c(N3CCCC[NH2+]CC3)cc(C(F)(F)F)nc12 ZINC000064220310 563956695 /nfs/dbraw/zinc/95/66/95/563956695.db2.gz CNEBFWLXOOEROU-UHFFFAOYSA-N 1 0 327.325 3.583 40 0 EHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 ZINC000257330095 563970604 /nfs/dbraw/zinc/97/06/04/563970604.db2.gz XMTNOSDZYDYGKA-ZWOKBUDYSA-N 1 0 343.515 3.797 40 0 EHABRO O=C1CC[C@@]2(CCC[N@H+](CC3CCCCC3)CC2)N1C[C@@H]1CCCO1 ZINC000585099829 563971386 /nfs/dbraw/zinc/97/13/86/563971386.db2.gz DFLJKYXZXWNBGM-PZJWPPBQSA-N 1 0 348.531 3.593 40 0 EHABRO CC[C@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109816 563971639 /nfs/dbraw/zinc/97/16/39/563971639.db2.gz WVLONEOFHFCSEG-FCRQHZQGSA-N 1 0 349.478 3.628 40 0 EHABRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096049324 563978402 /nfs/dbraw/zinc/97/84/02/563978402.db2.gz RBLGBGFYUMLPBM-UHFFFAOYSA-N 1 0 330.453 3.612 40 0 EHABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1ccccc1 ZINC000096061671 563978976 /nfs/dbraw/zinc/97/89/76/563978976.db2.gz JCARUUDRTLGMOA-MOPGFXCFSA-N 1 0 342.508 3.914 40 0 EHABRO Fc1ccc(C[N@@H+]2CCCC23CCN(Cc2ccncc2)CC3)cc1 ZINC000096075308 563979029 /nfs/dbraw/zinc/97/90/29/563979029.db2.gz FWNNAOOJSCCSSG-UHFFFAOYSA-N 1 0 339.458 3.851 40 0 EHABRO Cc1nc(CN2CCC23CC[NH+](Cc2ccsc2)CC3)cs1 ZINC000096077986 563979102 /nfs/dbraw/zinc/97/91/02/563979102.db2.gz OKSRPJGVPNDHEO-UHFFFAOYSA-N 1 0 333.526 3.754 40 0 EHABRO Cc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000096216115 563980289 /nfs/dbraw/zinc/98/02/89/563980289.db2.gz VGHPKEVRNQQYEI-FQEVSTJZSA-N 1 0 341.524 3.940 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)NC4CCCC4)C3)C2)o1 ZINC000096215964 563980358 /nfs/dbraw/zinc/98/03/58/563980358.db2.gz RLJPHNAUZADAJE-FQEVSTJZSA-N 1 0 345.487 3.528 40 0 EHABRO Cc1ccccc1C[NH+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000096245608 563980635 /nfs/dbraw/zinc/98/06/35/563980635.db2.gz QKGRBCJZEXVWIU-OALUTQOASA-N 1 0 335.451 3.591 40 0 EHABRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)s1 ZINC000096255313 563980642 /nfs/dbraw/zinc/98/06/42/563980642.db2.gz KPEVLHUUWRQLJZ-UHFFFAOYSA-N 1 0 336.464 3.509 40 0 EHABRO C=CC(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000585291236 563982120 /nfs/dbraw/zinc/98/21/20/563982120.db2.gz AARYYQOURVVVOK-MRXNPFEDSA-N 1 0 336.439 3.729 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107730574 563984124 /nfs/dbraw/zinc/98/41/24/563984124.db2.gz DPHIXUKXHVKHPN-IEBWSBKVSA-N 1 0 344.480 3.654 40 0 EHABRO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063625 564016627 /nfs/dbraw/zinc/01/66/27/564016627.db2.gz BYRCRVKZTVCPBV-UHFFFAOYSA-N 1 0 348.368 3.955 40 0 EHABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000257332044 564055595 /nfs/dbraw/zinc/05/55/95/564055595.db2.gz XVMTZPYZPVFFHN-SFHVURJKSA-N 1 0 346.438 3.737 40 0 EHABRO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000306129940 564062140 /nfs/dbraw/zinc/06/21/40/564062140.db2.gz IRFNKESBWFMDJM-FUHWJXTLSA-N 1 0 345.489 3.523 40 0 EHABRO c1csc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306139512 564062318 /nfs/dbraw/zinc/06/23/18/564062318.db2.gz SZFJIVDQMYWURB-DLBZAZTESA-N 1 0 335.476 3.916 40 0 EHABRO O[C@@]1(CN2c3ccccc3Sc3ccccc32)C[NH+]2CCC1CC2 ZINC000044830518 564117960 /nfs/dbraw/zinc/11/79/60/564117960.db2.gz PNBTYAVTIJXSSH-HXUWFJFHSA-N 1 0 338.476 3.746 40 0 EHABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000036067591 564128486 /nfs/dbraw/zinc/12/84/86/564128486.db2.gz OUZKVEKIGLMALI-LNLFQRSKSA-N 1 0 346.515 3.637 40 0 EHABRO Cc1cccnc1Nc1cc(C2CC[NH+](Cc3cnc[nH]3)CC2)ccn1 ZINC000257339299 564134842 /nfs/dbraw/zinc/13/48/42/564134842.db2.gz ZBDIGVKSYXVXPE-UHFFFAOYSA-N 1 0 348.454 3.631 40 0 EHABRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccs2)c(OC)c1 ZINC000036734403 213114932 /nfs/dbraw/zinc/11/49/32/213114932.db2.gz WSSSDVNRQADDTO-CVEARBPZSA-N 1 0 333.453 3.636 40 0 EHABRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccs2)c(OC)c1 ZINC000036734400 213114377 /nfs/dbraw/zinc/11/43/77/213114377.db2.gz WSSSDVNRQADDTO-HOTGVXAUSA-N 1 0 333.453 3.636 40 0 EHABRO COC(=O)c1cccc2nc([C@H]3CC[N@@H+](C4CCCCC4)C3)oc21 ZINC000035446936 213028765 /nfs/dbraw/zinc/02/87/65/213028765.db2.gz XFFDOJNPNSHWJA-ZDUSSCGKSA-N 1 0 328.412 3.736 40 0 biogenic,in-vitro EHABRO Cc1cc(C)c([C@@H]2SC(=[NH2+])N[C@@H]2[C@H](O)c2ccccc2)c(C)c1 ZINC000035310481 213019962 /nfs/dbraw/zinc/01/99/62/213019962.db2.gz GUUSIDHEGVWPIO-KURKYZTESA-N 1 0 326.465 3.817 40 0 EHABRO Cc1nnc(Nc2cccc(C3CC[NH+](CC4CC4)CC3)n2)s1 ZINC000072376151 216179947 /nfs/dbraw/zinc/17/99/47/216179947.db2.gz PQJKQKGFBHPBGZ-UHFFFAOYSA-N 1 0 329.473 3.575 40 0 EHABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377356 216179957 /nfs/dbraw/zinc/17/99/57/216179957.db2.gz WMTJNEXPNUODAV-GOSISDBHSA-N 1 0 331.423 3.952 40 0 EHABRO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379056 216182061 /nfs/dbraw/zinc/18/20/61/216182061.db2.gz FUNHMMIKCLFQRS-KRWDZBQOSA-N 1 0 347.466 3.604 40 0 EHABRO Clc1ccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)c(Cl)c1 ZINC000217563756 241258628 /nfs/dbraw/zinc/25/86/28/241258628.db2.gz AMEWFKVQXYDZQG-CQSZACIVSA-N 1 0 348.237 3.913 40 0 EHABRO CCC[n+]1cc(Br)cc(-c2nc3cc(N)cc(C)c3o2)c1 ZINC000226778133 242114519 /nfs/dbraw/zinc/11/45/19/242114519.db2.gz FBADVSBZKWOURQ-UHFFFAOYSA-N 1 0 347.236 3.845 40 0 EHABRO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000253599964 244031968 /nfs/dbraw/zinc/03/19/68/244031968.db2.gz ZEALQAQNHBRYMM-INIZCTEOSA-N 1 0 346.521 3.728 40 0 EHABRO Cn1ccc2cc(C[C@H]3COCC[N@H+](CCC(F)(F)F)C3)ccc21 ZINC000257206443 244135616 /nfs/dbraw/zinc/13/56/16/244135616.db2.gz BDLMOVPUVMFTRS-OAHLLOKOSA-N 1 0 340.389 3.622 40 0 EHABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257226421 244202130 /nfs/dbraw/zinc/20/21/30/244202130.db2.gz FKOJTRHYOZDDPE-NRFANRHFSA-N 1 0 348.450 3.536 40 0 EHABRO Cc1nccc([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257242143 244247885 /nfs/dbraw/zinc/24/78/85/244247885.db2.gz IBGXDFCUOJGZFP-KRWDZBQOSA-N 1 0 333.439 3.555 40 0 EHABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257247579 244261509 /nfs/dbraw/zinc/26/15/09/244261509.db2.gz IZOHKKCNWLSNAN-SFHVURJKSA-N 1 0 337.402 3.651 40 0 EHABRO CC(C)n1nccc1-c1cncc(C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257259452 244293469 /nfs/dbraw/zinc/29/34/69/244293469.db2.gz KYLNIIBRPXKZDO-INIZCTEOSA-N 1 0 327.476 3.584 40 0 EHABRO O=C(CC1CCCC1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257263911 244356652 /nfs/dbraw/zinc/35/66/52/244356652.db2.gz LRZAWVXOEVFNSS-LJQANCHMSA-N 1 0 342.483 3.511 40 0 EHABRO CC(C)n1cc(-c2cnc(CC3CC[NH+](C(C)C)CC3)cn2)cn1 ZINC000257274637 244389036 /nfs/dbraw/zinc/38/90/36/244389036.db2.gz NLYCPWWLKZMVLZ-UHFFFAOYSA-N 1 0 327.476 3.584 40 0 EHABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccncc1 ZINC000019589176 212048950 /nfs/dbraw/zinc/04/89/50/212048950.db2.gz IIAKOMMZUVEONO-NJDAHSKKSA-N 1 0 349.478 3.564 40 0 EHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccccn1 ZINC000019589110 212048582 /nfs/dbraw/zinc/04/85/82/212048582.db2.gz FOLAOQFQEDTLQN-TYPHKJRUSA-N 1 0 349.478 3.564 40 0 EHABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000019500295 212033375 /nfs/dbraw/zinc/03/33/75/212033375.db2.gz AOEKYIKBSOFLHI-QGZVFWFLSA-N 1 0 341.499 3.708 40 0 EHABRO Cc1cccc(C2(O)CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000012330707 211349546 /nfs/dbraw/zinc/34/95/46/211349546.db2.gz MHUMCHKPUQVQAD-UHFFFAOYSA-N 1 0 347.462 3.664 40 0 EHABRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(C3CCCCC3)no2)C1 ZINC000012199559 211318584 /nfs/dbraw/zinc/31/85/84/211318584.db2.gz XMKNDZJZAUHZHM-OAHLLOKOSA-N 1 0 333.476 3.573 40 0 EHABRO CC1(C)CCC[N@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1 ZINC000012220944 211323017 /nfs/dbraw/zinc/32/30/17/211323017.db2.gz HIVDYNVQRICXLF-UHFFFAOYSA-N 1 0 349.438 3.816 40 0 EHABRO Cc1oc2ccc(O)cc2c1C(=O)NC(C)(C)C[N@H+]1CCC[C@H](C)C1 ZINC000012203229 211320486 /nfs/dbraw/zinc/32/04/86/211320486.db2.gz RRUWZAVXFRQXLV-ZDUSSCGKSA-N 1 0 344.455 3.687 40 0 EHABRO COc1cccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000012122110 211300697 /nfs/dbraw/zinc/30/06/97/211300697.db2.gz ITYMEKWPIFULMX-UHFFFAOYSA-N 1 0 339.435 3.639 40 0 EHABRO CC1(C)CC(N(Cc2c[nH]cn2)Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000012116737 211295404 /nfs/dbraw/zinc/29/54/04/211295404.db2.gz RFSGBAXXNHNGOT-UHFFFAOYSA-N 1 0 344.478 3.860 40 0 EHABRO C[C@H]([NH2+]C[C@@H](O)COC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010434694 211173357 /nfs/dbraw/zinc/17/33/57/211173357.db2.gz ZVPLSJPATOUUND-ZCQORQLVSA-N 1 0 329.484 3.684 40 0 EHABRO Cc1cc(C)cc(CSCC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000010111100 211148736 /nfs/dbraw/zinc/14/87/36/211148736.db2.gz VWZWTXZSSOCCBU-UHFFFAOYSA-N 1 0 348.556 3.919 40 0 EHABRO C[C@H]1[C@@H]2C[C@H](CN1C(=O)OC(C)(C)C)C[N@H+](Cc1ccccc1)C2 ZINC000095093765 218280626 /nfs/dbraw/zinc/28/06/26/218280626.db2.gz YYUADVVEJKUGRU-RYQLBKOJSA-N 1 0 330.472 3.764 40 0 EHABRO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008326390 210936236 /nfs/dbraw/zinc/93/62/36/210936236.db2.gz SYNWNJLMFGJBPI-KRWDZBQOSA-N 1 0 349.858 3.788 40 0 EHABRO COc1ccc([C@@](C)(O)[C@H](c2ccccc2)[C@@H]2CCCC[NH2+]2)cc1 ZINC000004782913 210277748 /nfs/dbraw/zinc/27/77/48/210277748.db2.gz HGOAFHCXOPDXNZ-PWRODBHTSA-N 1 0 325.452 3.829 40 0 EHABRO C[N@H+](CCO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918442 221204340 /nfs/dbraw/zinc/20/43/40/221204340.db2.gz NINCEUANGIAEBE-TWGZSJHRSA-N 1 0 349.559 3.683 40 0 EHABRO c1ccc2c(c1)Sc1ccccc1N2CCCNC1=[NH+]CCO1 ZINC000005010462 563518967 /nfs/dbraw/zinc/51/89/67/563518967.db2.gz PWCZPUHQWRVPEK-UHFFFAOYSA-N 1 0 325.437 3.655 40 0 EHABRO CC[C@@H](OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000006356116 563565855 /nfs/dbraw/zinc/56/58/55/563565855.db2.gz QBKYHGIVYNYNLB-LEWJYISDSA-N 1 0 325.452 3.574 40 0 EHABRO CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000019017911 563853224 /nfs/dbraw/zinc/85/32/24/563853224.db2.gz KWXLCNSEWHMYKJ-NJDAHSKKSA-N 1 0 326.484 3.656 40 0 EHABRO COc1ccc(OC[C@@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000033542064 563916140 /nfs/dbraw/zinc/91/61/40/563916140.db2.gz SAAKIWVYERLGFF-ZACQAIPSSA-N 1 0 349.515 3.710 40 0 EHABRO Cc1ccsc1C[N@H+](CC1=Cc2ccccc2OC1)C[C@@H](C)O ZINC000057810253 563935917 /nfs/dbraw/zinc/93/59/17/563935917.db2.gz IFEKMLXIAIBTJG-OAHLLOKOSA-N 1 0 329.465 3.715 40 0 EHABRO O=C1CC[C@@]2(CCC[N@H+](CC3CCCCC3)CC2)N1C[C@H]1CCCO1 ZINC000585099830 563971381 /nfs/dbraw/zinc/97/13/81/563971381.db2.gz DFLJKYXZXWNBGM-TZIWHRDSSA-N 1 0 348.531 3.593 40 0 EHABRO c1ccc(Nc2cncc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)n2)nc1 ZINC000585176623 563975019 /nfs/dbraw/zinc/97/50/19/563975019.db2.gz AQGOQSBANYINJX-KRWDZBQOSA-N 1 0 349.482 3.573 40 0 EHABRO Cc1ccsc1C[NH+]1CCC2(CC[C@H](c3nc(C)no3)O2)CC1 ZINC000096219213 563980435 /nfs/dbraw/zinc/98/04/35/563980435.db2.gz JXIYZQSZTSJTIM-CQSZACIVSA-N 1 0 333.457 3.634 40 0 EHABRO CCc1ccccc1O[C@@H](C)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260380243 563997900 /nfs/dbraw/zinc/99/79/00/563997900.db2.gz NXMZYPWJKOVDCC-PKOBYXMFSA-N 1 0 346.515 3.787 40 0 EHABRO O=C(Cc1cccs1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224702468 564043528 /nfs/dbraw/zinc/04/35/28/564043528.db2.gz USDBFOKALNEHRL-UHFFFAOYSA-N 1 0 328.481 3.593 40 0 EHABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225619013 564048493 /nfs/dbraw/zinc/04/84/93/564048493.db2.gz WJYWIKUFXCAABB-IBGZPJMESA-N 1 0 336.476 3.551 40 0 EHABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225650802 564048974 /nfs/dbraw/zinc/04/89/74/564048974.db2.gz MTVQXRJBFIKSRP-FQEVSTJZSA-N 1 0 348.487 3.695 40 0 EHABRO Fc1ccc(C[C@H]2CC3(CO2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000257338037 564055739 /nfs/dbraw/zinc/05/57/39/564055739.db2.gz YVNHQSWUMHSCRR-FQEVSTJZSA-N 1 0 340.442 3.835 40 0 EHABRO CC[C@@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328977176 564071149 /nfs/dbraw/zinc/07/11/49/564071149.db2.gz FRVHEETXMSRGQS-GFCCVEGCSA-N 1 0 330.863 3.674 40 0 EHABRO c1ccc(CCNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329018794 564071539 /nfs/dbraw/zinc/07/15/39/564071539.db2.gz NSODXRDRAGDXOI-UHFFFAOYSA-N 1 0 336.483 3.597 40 0 EHABRO COc1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C)n1)C2 ZINC000329014821 564071562 /nfs/dbraw/zinc/07/15/62/564071562.db2.gz MYXJKNMYTAEJRP-UHFFFAOYSA-N 1 0 338.455 3.711 40 0 EHABRO O=C(C[NH2+]C1CCCCCC1)Nc1ccccc1N1CCCCC1 ZINC000004896571 564087153 /nfs/dbraw/zinc/08/71/53/564087153.db2.gz HONDPJSRBNPKGR-UHFFFAOYSA-N 1 0 329.488 3.928 40 0 EHABRO Cc1ccccc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000264174992 564124749 /nfs/dbraw/zinc/12/47/49/564124749.db2.gz KUMJKZPCIWESMT-UHFFFAOYSA-N 1 0 334.463 3.658 40 0 EHABRO CCC(=O)N(CCC[NH+](C)C)c1nc(-c2ccc(F)cc2)cs1 ZINC000004215027 210145889 /nfs/dbraw/zinc/14/58/89/210145889.db2.gz FCZPMFUNXNUOCX-UHFFFAOYSA-N 1 0 335.448 3.644 40 0 EHABRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039745122 213242872 /nfs/dbraw/zinc/24/28/72/213242872.db2.gz GPTIBDYIUHADKV-UHFFFAOYSA-N 1 0 342.414 3.685 40 0 EHABRO C[N@H+](Cc1cnc(Cl)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072203460 216069498 /nfs/dbraw/zinc/06/94/98/216069498.db2.gz HANFBQCQJWYLAX-UHFFFAOYSA-N 1 0 345.896 3.628 40 0 EHABRO Clc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392382 216190768 /nfs/dbraw/zinc/19/07/68/216190768.db2.gz BXNSIMXGJXAWOU-UHFFFAOYSA-N 1 0 349.825 3.735 40 0 EHABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000073642251 216405007 /nfs/dbraw/zinc/40/50/07/216405007.db2.gz LSRXSOADEFFMRI-UHFFFAOYSA-N 1 0 334.206 3.655 40 0 EHABRO Cc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000216113907 241166561 /nfs/dbraw/zinc/16/65/61/241166561.db2.gz ZACLFWBUOYVFJD-MDZRGWNJSA-N 1 0 346.515 3.555 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2c(F)cccc2F)C1 ZINC000225729136 242007828 /nfs/dbraw/zinc/00/78/28/242007828.db2.gz MZSYHRQGLLNWLM-CHWSQXEVSA-N 1 0 341.471 3.619 40 0 EHABRO C[NH+](C)CCNc1nc(Nc2ccccc2)cc(-c2ccccc2)n1 ZINC000243441601 243025771 /nfs/dbraw/zinc/02/57/71/243025771.db2.gz NCCIOWMTWRURRZ-UHFFFAOYSA-N 1 0 333.439 3.861 40 0 EHABRO CCC(CC)[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000020573384 212149235 /nfs/dbraw/zinc/14/92/35/212149235.db2.gz NHLJCRCEUGNRRZ-UHFFFAOYSA-N 1 0 325.294 3.755 40 0 EHABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020456723 212131672 /nfs/dbraw/zinc/13/16/72/212131672.db2.gz OUZKVEKIGLMALI-SCTDSRPQSA-N 1 0 346.515 3.637 40 0 EHABRO Cc1nc([C@@]2(C)CCC[N@H+](Cc3cccnc3)C2)c2sccn12 ZINC000257204244 244126126 /nfs/dbraw/zinc/12/61/26/244126126.db2.gz ATRSLNBTSUPJOD-SFHVURJKSA-N 1 0 326.469 3.653 40 0 EHABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257243304 244251435 /nfs/dbraw/zinc/25/14/35/244251435.db2.gz IGHOZLTVQJJVNT-OAHLLOKOSA-N 1 0 325.460 3.687 40 0 EHABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257298707 244457938 /nfs/dbraw/zinc/45/79/38/244457938.db2.gz RMYTYYNKQYSGKM-INIZCTEOSA-N 1 0 325.441 3.574 40 0 EHABRO Cc1[nH]c2ccccc2c1Cc1cc(N[C@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000019655574 212052968 /nfs/dbraw/zinc/05/29/68/212052968.db2.gz JWUQNZJJSQNHLW-INIZCTEOSA-N 1 0 349.482 3.672 40 0 EHABRO CC(C)C(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000019085219 212000302 /nfs/dbraw/zinc/00/03/02/212000302.db2.gz OZGZTUAFKPWRCB-UHFFFAOYSA-N 1 0 342.487 3.907 40 0 EHABRO CCC[NH+]1CCC(CNC(=O)c2cc(C3CCCCC3)no2)CC1 ZINC000012201834 211318340 /nfs/dbraw/zinc/31/83/40/211318340.db2.gz TUCIAKHBKLUQTN-UHFFFAOYSA-N 1 0 333.476 3.574 40 0 EHABRO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4CCCC[C@@H]4C)n3)cc2)n1 ZINC000012186105 211314385 /nfs/dbraw/zinc/31/43/85/211314385.db2.gz BXRHSDYEUYJCNG-AWEZNQCLSA-N 1 0 349.438 3.876 40 0 EHABRO CC(C)[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000012220209 211322386 /nfs/dbraw/zinc/32/23/86/211322386.db2.gz HKXVYKUYJCLTCT-ZBFHGGJFSA-N 1 0 340.389 3.650 40 0 EHABRO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000012143571 211305451 /nfs/dbraw/zinc/30/54/51/211305451.db2.gz KVIMUCPQAMNFND-HXUWFJFHSA-N 1 0 345.462 3.720 40 0 EHABRO O=C(C[NH2+]Cc1ccc(F)cc1)Nc1ccccc1N1CCCCC1 ZINC000035311479 132389707 /nfs/dbraw/zinc/38/97/07/132389707.db2.gz OEBCVBGMMGMQAA-UHFFFAOYSA-N 1 0 341.430 3.544 40 0 EHABRO Cc1cc([C@H](O)C[NH+]2CCN(c3ccccc3C)CC2)c(C)s1 ZINC000057822907 132432910 /nfs/dbraw/zinc/43/29/10/132432910.db2.gz RHPJYIKHBVYERZ-LJQANCHMSA-N 1 0 330.497 3.529 40 0 EHABRO COc1cc(NCCC[C@H]2CCCC[NH2+]2)c2ncccc2c1OC ZINC000001729590 563407909 /nfs/dbraw/zinc/40/79/09/563407909.db2.gz RMJZVRFCIQFHTR-CQSZACIVSA-N 1 0 329.444 3.586 40 0 EHABRO Fc1ccc(NC(=S)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000007009262 563593365 /nfs/dbraw/zinc/59/33/65/563593365.db2.gz XLPXTPZUTJAFPZ-UHFFFAOYSA-N 1 0 343.471 3.908 40 0 EHABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2ccccc2o1 ZINC000008430105 563630118 /nfs/dbraw/zinc/63/01/18/563630118.db2.gz SCPVIMMDALECMB-UHFFFAOYSA-N 1 0 334.419 3.959 40 0 EHABRO c1cc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)cs1 ZINC000012668924 563667492 /nfs/dbraw/zinc/66/74/92/563667492.db2.gz HKUAGBQPQSTUSH-UHFFFAOYSA-N 1 0 326.425 3.573 40 0 EHABRO O=C(CCc1ccccc1F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024390076 563871316 /nfs/dbraw/zinc/87/13/16/563871316.db2.gz UZTMFBGQINLQOI-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO O=C(CCc1ccccc1F)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463120 563913792 /nfs/dbraw/zinc/91/37/92/563913792.db2.gz GDZRFTICUORJFN-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccccc2Cl)C1 ZINC000044080786 563926168 /nfs/dbraw/zinc/92/61/68/563926168.db2.gz QQBQNRYSUGDSKW-ZDUSSCGKSA-N 1 0 325.909 3.748 40 0 EHABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100073 563971333 /nfs/dbraw/zinc/97/13/33/563971333.db2.gz DYYWATQSCHSRIB-OXJNMPFZSA-N 1 0 332.463 3.971 40 0 EHABRO c1cncc(OCC[C@H]2CCOC23CC[NH+](CC2CCC2)CC3)c1 ZINC000585105355 563971528 /nfs/dbraw/zinc/97/15/28/563971528.db2.gz UXJLEXRKNHJNIT-SFHVURJKSA-N 1 0 330.472 3.522 40 0 EHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)cs1 ZINC000585105293 563971622 /nfs/dbraw/zinc/97/16/22/563971622.db2.gz SKHBPJXABBQSEY-SFHVURJKSA-N 1 0 335.513 3.936 40 0 EHABRO O=C1CCCC[C@H]2[C@H](N1)[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951704 563977840 /nfs/dbraw/zinc/97/78/40/563977840.db2.gz SCZTXDTWHNMXJY-RZUBCFFCSA-N 1 0 334.463 3.713 40 0 biogenic EHABRO COc1ccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096047602 563978249 /nfs/dbraw/zinc/97/82/49/563978249.db2.gz AYISQKGCRWQKOS-VQIMIIECSA-N 1 0 344.480 3.602 40 0 EHABRO Fc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096047577 563978279 /nfs/dbraw/zinc/97/82/79/563978279.db2.gz DCSMHJYMKBDLGL-FUHWJXTLSA-N 1 0 332.444 3.733 40 0 EHABRO FC1(F)CC[N@H+](Cc2ccsc2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051143 563978642 /nfs/dbraw/zinc/97/86/42/563978642.db2.gz RVFRAVALJQSUKR-KRWDZBQOSA-N 1 0 349.450 3.881 40 0 EHABRO Cc1cccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)c1 ZINC000096087432 563979135 /nfs/dbraw/zinc/97/91/35/563979135.db2.gz NGJOMPWCGAIAJZ-NRFANRHFSA-N 1 0 348.490 3.976 40 0 EHABRO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2ccncc2)C3)cs1 ZINC000096109271 563979236 /nfs/dbraw/zinc/97/92/36/563979236.db2.gz KYNPAZNFFFGSOT-MJGOQNOKSA-N 1 0 343.496 3.665 40 0 EHABRO Cc1noc(C)c1C[NH+]1CCC2(CC(Oc3cccnc3)C2)CC1 ZINC000096159347 563979815 /nfs/dbraw/zinc/97/98/15/563979815.db2.gz AUIXBYPJVQSFKV-UHFFFAOYSA-N 1 0 327.428 3.510 40 0 EHABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4ccccn4)C3)C2)c1 ZINC000096215593 563980236 /nfs/dbraw/zinc/98/02/36/563980236.db2.gz AQKVUCXWAVRKIF-NRFANRHFSA-N 1 0 337.467 3.583 40 0 EHABRO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000096216128 563980268 /nfs/dbraw/zinc/98/02/68/563980268.db2.gz DENHUKMGXMDAAD-JOCHJYFZSA-N 1 0 335.495 3.878 40 0 EHABRO CC(C)[NH+]1CCC2(CC1)c1cccc(F)c1N(c1cccnc1)C2=O ZINC000096261759 563980674 /nfs/dbraw/zinc/98/06/74/563980674.db2.gz RVPCNTWTXXYNNT-UHFFFAOYSA-N 1 0 339.414 3.641 40 0 EHABRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C1 ZINC000585286359 563981869 /nfs/dbraw/zinc/98/18/69/563981869.db2.gz QEDKNZRFOMBADP-YADHBBJMSA-N 1 0 336.479 3.564 40 0 EHABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000585288780 563981948 /nfs/dbraw/zinc/98/19/48/563981948.db2.gz IYSRZJHODOIJGA-IPMKNSEASA-N 1 0 349.833 3.930 40 0 EHABRO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219389 563985805 /nfs/dbraw/zinc/98/58/05/563985805.db2.gz FGNMGNPSISHKCR-FQEVSTJZSA-N 1 0 337.467 3.564 40 0 EHABRO COCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008469160 564016347 /nfs/dbraw/zinc/01/63/47/564016347.db2.gz ISNATRRCHHXQGE-UHFFFAOYSA-N 1 0 335.831 3.664 40 0 EHABRO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)CC2CCCCC2)n1 ZINC000013991971 564020768 /nfs/dbraw/zinc/02/07/68/564020768.db2.gz VKVUPOKTDUKZTE-IBGZPJMESA-N 1 0 345.487 3.536 40 0 EHABRO O=C(c1ccccc1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000169677597 564024084 /nfs/dbraw/zinc/02/40/84/564024084.db2.gz ONAFYSXUZBYFOI-IVAOSVALSA-N 1 0 336.479 3.722 40 0 EHABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCCC2)Cc2c[nH]c3cccc1c23 ZINC000049171384 564032690 /nfs/dbraw/zinc/03/26/90/564032690.db2.gz MSFPAGSWBSSYEM-OALUTQOASA-N 1 0 339.483 3.828 40 0 biogenic,in-vitro EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)ccc1OC ZINC000225038737 564044475 /nfs/dbraw/zinc/04/44/75/564044475.db2.gz PNPZAWZSNNYZCZ-OAHLLOKOSA-N 1 0 338.879 3.733 40 0 EHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225602130 564048262 /nfs/dbraw/zinc/04/82/62/564048262.db2.gz KYFUHTDUENTHJV-OXQOHEQNSA-N 1 0 348.487 3.551 40 0 EHABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCCC1 ZINC000225654961 564049015 /nfs/dbraw/zinc/04/90/15/564049015.db2.gz LBLYQQDJRBDOMZ-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)s1 ZINC000248119197 564053011 /nfs/dbraw/zinc/05/30/11/564053011.db2.gz ULHVZKGBOYPKKL-CGTJXYLNSA-N 1 0 344.480 3.510 40 0 EHABRO COc1ccccc1[C@@H]1Cn2ccnc2CN1Cc1cccs1 ZINC000257287506 564054777 /nfs/dbraw/zinc/05/47/77/564054777.db2.gz PQGRFPZTVCEZLF-INIZCTEOSA-N 1 0 325.437 3.710 40 0 EHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1nccc3ccccc31)C2 ZINC000257292766 564054864 /nfs/dbraw/zinc/05/48/64/564054864.db2.gz QMWPFYTTWFYKIP-UYZIEWPDSA-N 1 0 349.478 3.712 40 0 EHABRO Cc1noc(C)c1-c1ccnc(C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000257296750 564054966 /nfs/dbraw/zinc/05/49/66/564054966.db2.gz REGHOAOGMNEJPK-UHFFFAOYSA-N 1 0 341.455 3.712 40 0 EHABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+]2C2CCOCC2)nc1 ZINC000257333511 564055567 /nfs/dbraw/zinc/05/55/67/564055567.db2.gz YBVZQGPHXVFTAO-SFHVURJKSA-N 1 0 327.428 3.669 40 0 EHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 ZINC000100750223 219105630 /nfs/dbraw/zinc/10/56/30/219105630.db2.gz XMTNOSDZYDYGKA-QKLQHJQFSA-N 1 0 343.515 3.797 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000100750264 219105776 /nfs/dbraw/zinc/10/57/76/219105776.db2.gz OHCIOCQBQKAOMS-FCEWJHQRSA-N 1 0 329.488 3.584 40 0 EHABRO CC[NH+](CC)C[C@H](O)CNc1ccnc2cc(Cl)c(Cl)cc21 ZINC000004428599 210192045 /nfs/dbraw/zinc/19/20/45/210192045.db2.gz LJUAGDICZIDMII-LLVKDONJSA-N 1 0 342.270 3.656 40 0 EHABRO CC[C@H]1[C@H](O)C[C@H](c2ccc(OC)cc2)[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000004133166 210129740 /nfs/dbraw/zinc/12/97/40/210129740.db2.gz WBWWKIRERSPQIP-DOIPELPJSA-N 1 0 341.451 3.867 40 0 EHABRO Fc1ccc(-c2cc(CC3([NH2+]CC4CCCCC4)COC3)no2)cc1 ZINC000067897864 215245253 /nfs/dbraw/zinc/24/52/53/215245253.db2.gz KVZRHZAMUVSIOY-UHFFFAOYSA-N 1 0 344.430 3.962 40 0 biogenic,in-vitro EHABRO COc1cc(N[C@@H](C)CCC[NH2+]C(C)C)c2ncccc2c1OC ZINC000002042678 209813878 /nfs/dbraw/zinc/81/38/78/209813878.db2.gz KSJAKLHPKINFJD-AWEZNQCLSA-N 1 0 331.460 3.831 40 0 EHABRO CC[NH+](CC)CCn1c(Cc2ccc(OC)cc2)nc2ccccc21 ZINC000001636914 209772978 /nfs/dbraw/zinc/77/29/78/209772978.db2.gz SFNKTTXBZXVGOH-UHFFFAOYSA-N 1 0 337.467 3.978 40 0 EHABRO CC(C)C(NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C(C)C ZINC000038849181 213228423 /nfs/dbraw/zinc/22/84/23/213228423.db2.gz KFRFPBLHPHPYOC-KRWDZBQOSA-N 1 0 334.479 3.835 40 0 EHABRO Cc1cc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C)c1Cl ZINC000037530300 213154265 /nfs/dbraw/zinc/15/42/65/213154265.db2.gz LTOMHKXZZHIXOP-XEZPLFJOSA-N 1 0 325.880 3.674 40 0 EHABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccnc2)C3)cc1 ZINC000035290332 213017768 /nfs/dbraw/zinc/01/77/68/213017768.db2.gz QNAPGRIGQHFXPU-SEJPIABJSA-N 1 0 349.478 3.706 40 0 EHABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377357 216179501 /nfs/dbraw/zinc/17/95/01/216179501.db2.gz WMTJNEXPNUODAV-SFHVURJKSA-N 1 0 331.423 3.952 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389975 216189040 /nfs/dbraw/zinc/18/90/40/216189040.db2.gz PNMDMMHNXFPTLT-SFHVURJKSA-N 1 0 334.423 3.554 40 0 EHABRO Clc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000072389886 216189857 /nfs/dbraw/zinc/18/98/57/216189857.db2.gz QBFQXWAFESYXMS-OAHLLOKOSA-N 1 0 340.814 3.775 40 0 EHABRO Clc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389903 216190286 /nfs/dbraw/zinc/19/02/86/216190286.db2.gz NGRLZXIDHICJDA-HNNXBMFYSA-N 1 0 340.814 3.775 40 0 EHABRO Cc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408119 212295879 /nfs/dbraw/zinc/29/58/79/212295879.db2.gz YKYUBRVIYRTYDY-JOCHJYFZSA-N 1 0 335.471 3.954 40 0 EHABRO C[NH+](C)CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258313 212286360 /nfs/dbraw/zinc/28/63/60/212286360.db2.gz RECOKAYWVUINHC-UHFFFAOYSA-N 1 0 346.858 3.601 40 0 EHABRO COc1cccc(C[NH2+]CCN(C)C)c1OCc1ccccc1Cl ZINC000022075194 212277087 /nfs/dbraw/zinc/27/70/87/212277087.db2.gz NTEPZCYCOFDLEU-UHFFFAOYSA-N 1 0 348.874 3.579 40 0 EHABRO CC[NH+]1CCN(Cc2ccc3oc(-c4ccccc4F)nc3c2)CC1 ZINC000216789802 241213512 /nfs/dbraw/zinc/21/35/12/241213512.db2.gz YTHNCFOCOYFNDI-UHFFFAOYSA-N 1 0 339.414 3.771 40 0 EHABRO O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257201857 244122108 /nfs/dbraw/zinc/12/21/08/244122108.db2.gz AJIAFZLLHXNWHY-LJQANCHMSA-N 1 0 327.472 3.531 40 0 EHABRO CC(C)Cc1ncc(-c2nccnc2CC2CC[NH+](C)CC2)s1 ZINC000257217430 244169469 /nfs/dbraw/zinc/16/94/69/244169469.db2.gz CYWUHKYCUABGPK-UHFFFAOYSA-N 1 0 330.501 3.683 40 0 EHABRO O=C(c1ccsc1)N1CCC[C@H]1c1ccc(C[NH+]2CCCC2)cn1 ZINC000257243327 244250114 /nfs/dbraw/zinc/25/01/14/244250114.db2.gz IGKKHZGROKQHBR-SFHVURJKSA-N 1 0 341.480 3.716 40 0 EHABRO Cc1ncc(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)n1C ZINC000257244213 244253306 /nfs/dbraw/zinc/25/33/06/244253306.db2.gz IKJZQXFMFDVYEH-GOSISDBHSA-N 1 0 347.466 3.565 40 0 EHABRO Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CC[NH2+]CC3)n2)c1 ZINC000257311234 244493607 /nfs/dbraw/zinc/49/36/07/244493607.db2.gz UIOQJTANUZRBQY-UHFFFAOYSA-N 1 0 349.413 3.888 40 0 EHABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019564781 212043627 /nfs/dbraw/zinc/04/36/27/212043627.db2.gz MENBMEKKXXUJDA-AWEZNQCLSA-N 1 0 341.436 3.796 40 0 EHABRO COc1ccc(-c2cc([C@@H]3CC[N@@H+](C4CCSCC4)C3)[nH]n2)cc1 ZINC000019557922 212042412 /nfs/dbraw/zinc/04/24/12/212042412.db2.gz ZIIUDTLHYFAWMY-OAHLLOKOSA-N 1 0 343.496 3.770 40 0 EHABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000019500294 212033237 /nfs/dbraw/zinc/03/32/37/212033237.db2.gz AOEKYIKBSOFLHI-KRWDZBQOSA-N 1 0 341.499 3.708 40 0 EHABRO Clc1ccccc1CN1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019349344 212020194 /nfs/dbraw/zinc/02/01/94/212020194.db2.gz UFUDPLZBTRPJSX-GOSISDBHSA-N 1 0 342.874 3.503 40 0 EHABRO Fc1cccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 ZINC000019293815 212013285 /nfs/dbraw/zinc/01/32/85/212013285.db2.gz OCLOCUOFPBKGCI-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC ZINC000012366519 211356679 /nfs/dbraw/zinc/35/66/79/211356679.db2.gz VUFMNIAPVZDOEF-DOTOQJQBSA-N 1 0 330.428 3.501 40 0 EHABRO CC(C)[NH+]1CCC(CNC(=O)c2cc(C3CCCCC3)no2)CC1 ZINC000012196116 211316787 /nfs/dbraw/zinc/31/67/87/211316787.db2.gz XPLMBRHHCUHORA-UHFFFAOYSA-N 1 0 333.476 3.573 40 0 EHABRO Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000007923799 210864974 /nfs/dbraw/zinc/86/49/74/210864974.db2.gz WYKZJEDOMJNEHD-UHFFFAOYSA-N 1 0 336.479 3.758 40 0 EHABRO O=C(C[NH2+]Cc1cccs1)Nc1ccc(N2CCCCCC2)cc1 ZINC000004896008 210314140 /nfs/dbraw/zinc/31/41/40/210314140.db2.gz VXWAFRNQNYYUKO-UHFFFAOYSA-N 1 0 343.496 3.857 40 0 EHABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccs2)nc1 ZINC000257225898 536020470 /nfs/dbraw/zinc/02/04/70/536020470.db2.gz FIHBGEBPEAKFPI-LNENJAERSA-N 1 0 341.480 3.582 40 0 EHABRO C[N@@H+]1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257224015 536388437 /nfs/dbraw/zinc/38/84/37/536388437.db2.gz DZXWBBBBKKOZNX-HNNXBMFYSA-N 1 0 329.444 3.550 40 0 EHABRO COc1ccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000225901899 536647031 /nfs/dbraw/zinc/64/70/31/536647031.db2.gz YIWYIKZKJZFWRH-SFHVURJKSA-N 1 0 338.451 3.570 40 0 EHABRO O[C@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Br)cc1 ZINC000001615876 563396764 /nfs/dbraw/zinc/39/67/64/563396764.db2.gz UBYSNAMCDWWVHX-GRDNDAEWSA-N 1 0 338.289 3.995 40 0 EHABRO CCCn1nc(C)c2c1nc1ccccc1c2NCCC[NH+](C)C ZINC000006757588 563585661 /nfs/dbraw/zinc/58/56/61/563585661.db2.gz HXXAAYGMTWOICC-UHFFFAOYSA-N 1 0 325.460 3.667 40 0 EHABRO c1nc2ccccc2n1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000007498862 563603222 /nfs/dbraw/zinc/60/32/22/563603222.db2.gz HPMRYBYLXYSFEJ-UHFFFAOYSA-N 1 0 334.467 3.639 40 0 EHABRO Cc1n(C)c2ccccc2[n+]1CC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000013305151 563694517 /nfs/dbraw/zinc/69/45/17/563694517.db2.gz NWAPEPJZJARYHX-MDYRTPRTSA-N 1 0 343.491 3.778 40 0 EHABRO CC(C)(C)c1ccc(/C=C/C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013670755 563708944 /nfs/dbraw/zinc/70/89/44/563708944.db2.gz FKSLEHVZSONCEL-JLHYYAGUSA-N 1 0 328.500 3.990 40 0 EHABRO CC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019020944 563853301 /nfs/dbraw/zinc/85/33/01/563853301.db2.gz JKYKYUTUCJTLSC-IAGOWNOFSA-N 1 0 335.517 3.613 40 0 EHABRO CCc1ccccc1O[C@@H](C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030755377 563910562 /nfs/dbraw/zinc/91/05/62/563910562.db2.gz YRJJWKDSGMBZPK-KSZLIROESA-N 1 0 346.515 3.501 40 0 EHABRO C[C@@H](CNC(=S)Nc1ccc(F)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000032555863 563913930 /nfs/dbraw/zinc/91/39/30/563913930.db2.gz MTXCBTXXMODSJQ-LBPRGKRZSA-N 1 0 343.899 3.886 40 0 EHABRO Cc1ccc(C)c(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000044140386 563926227 /nfs/dbraw/zinc/92/62/27/563926227.db2.gz NDFWUXXKZPBEIV-HZPDHXFCSA-N 1 0 333.545 3.958 40 0 EHABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000044841657 563926934 /nfs/dbraw/zinc/92/69/34/563926934.db2.gz GISGQULYQJUEDR-AZUAARDMSA-N 1 0 346.515 3.923 40 0 EHABRO Cc1noc(C)c1C[N@H+]1Cc2cccn2C[C@H](CCOCC2CC2)C1 ZINC000585095023 563971281 /nfs/dbraw/zinc/97/12/81/563971281.db2.gz AEJNCPQKKQAYTC-GOSISDBHSA-N 1 0 343.471 3.542 40 0 EHABRO CC(C)CC[N@@H+]1CCC[C@@]2(CCCN2C(=O)c2ccn(C)c2)CC1 ZINC000585100502 563971341 /nfs/dbraw/zinc/97/13/41/563971341.db2.gz LMBQXCRITYDECI-HXUWFJFHSA-N 1 0 331.504 3.532 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)o1 ZINC000585105532 563971566 /nfs/dbraw/zinc/97/15/66/563971566.db2.gz ZAFDSONAZNVXHE-GOSISDBHSA-N 1 0 333.472 3.776 40 0 EHABRO COc1ccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)cc1 ZINC000096047610 563978307 /nfs/dbraw/zinc/97/83/07/563978307.db2.gz YKCPKELHLDNUBK-IEBWSBKVSA-N 1 0 344.480 3.602 40 0 EHABRO c1coc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)c1 ZINC000096047842 563978337 /nfs/dbraw/zinc/97/83/37/563978337.db2.gz VAQLFXSRGFRUCA-LJQANCHMSA-N 1 0 327.424 3.620 40 0 EHABRO CC(C)C(=O)N1CCC[C@@]2(CCC[N@@H+]2CCCc2ccccc2)C1 ZINC000096214547 563980225 /nfs/dbraw/zinc/98/02/25/563980225.db2.gz IZAPSYGDPDADHG-OAQYLSRUSA-N 1 0 328.500 3.732 40 0 EHABRO c1ccc(OCCN2CCC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)cc1 ZINC000096216439 563980370 /nfs/dbraw/zinc/98/03/70/563980370.db2.gz KPRFKUWSNQBREA-OAQYLSRUSA-N 1 0 328.500 3.653 40 0 EHABRO Cc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585285047 563981874 /nfs/dbraw/zinc/98/18/74/563981874.db2.gz LNDWYTDRGVZNFI-PWRODBHTSA-N 1 0 343.442 3.627 40 0 EHABRO Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccco3)[C@H]2C1 ZINC000107746093 563984136 /nfs/dbraw/zinc/98/41/36/563984136.db2.gz QBOZYILEXJSWSU-RYQLBKOJSA-N 1 0 342.439 3.554 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1ccccc1C ZINC000260458039 563999960 /nfs/dbraw/zinc/99/99/60/563999960.db2.gz NPPOLHNDRSKGOR-ZWKOTPCHSA-N 1 0 332.488 3.533 40 0 EHABRO O=C(CCc1c(Cl)cccc1Cl)NCCC[NH+]1CCCC1 ZINC000225354546 564046120 /nfs/dbraw/zinc/04/61/20/564046120.db2.gz DSXPTDNXMMCNOX-UHFFFAOYSA-N 1 0 329.271 3.528 40 0 EHABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000225587340 564048035 /nfs/dbraw/zinc/04/80/35/564048035.db2.gz SLTIVVLTHYEAFS-CYBMUJFWSA-N 1 0 344.377 3.831 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225586929 564048046 /nfs/dbraw/zinc/04/80/46/564048046.db2.gz SADSGNAQDLANDR-STQMWFEESA-N 1 0 344.377 3.544 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)CCCC2 ZINC000225632211 564048710 /nfs/dbraw/zinc/04/87/10/564048710.db2.gz RIVAEJHJRCBLOX-FQEVSTJZSA-N 1 0 328.500 3.950 40 0 EHABRO COC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814650 564052637 /nfs/dbraw/zinc/05/26/37/564052637.db2.gz MAMONPJZOKNQMS-INIZCTEOSA-N 1 0 348.487 3.551 40 0 EHABRO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)ccn1 ZINC000257311435 564055243 /nfs/dbraw/zinc/05/52/43/564055243.db2.gz UJLDGXLGJUVEQW-SFHVURJKSA-N 1 0 348.454 3.599 40 0 EHABRO Nc1nc2nc(C3CC[NH+](Cc4ccsc4)CC3)ccc2s1 ZINC000257321766 564055445 /nfs/dbraw/zinc/05/54/45/564055445.db2.gz WDDRICKVALDWCF-UHFFFAOYSA-N 1 0 330.482 3.715 40 0 EHABRO COc1ccc2c(c1)CCN(c1cc(C)[nH+]c(NC3CCCC3)n1)C2 ZINC000328997330 564071395 /nfs/dbraw/zinc/07/13/95/564071395.db2.gz JPAPVLNGSRNZHD-UHFFFAOYSA-N 1 0 338.455 3.711 40 0 EHABRO Clc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329025299 564071649 /nfs/dbraw/zinc/07/16/49/564071649.db2.gz PFNIOBFOZTUAEP-UHFFFAOYSA-N 1 0 342.874 3.818 40 0 EHABRO [NH3+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000049185756 564111667 /nfs/dbraw/zinc/11/16/67/564111667.db2.gz CANUOTHYECMPPC-UHFFFAOYSA-N 1 0 331.007 3.930 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCCC(C)(C)C2)CC1 ZINC000009062560 564127633 /nfs/dbraw/zinc/12/76/33/564127633.db2.gz RHVACAGOYAACCM-UHFFFAOYSA-N 1 0 328.500 3.856 40 0 EHABRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccs2)c(OC)c1 ZINC000019552144 564127950 /nfs/dbraw/zinc/12/79/50/564127950.db2.gz WSSSDVNRQADDTO-JKSUJKDBSA-N 1 0 333.453 3.636 40 0 EHABRO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062789 1017027523 /nfs/dbraw/zinc/02/75/23/1017027523.db2.gz WTQOBWSIKDQMOT-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@@]1(O)CCC[C@H](C)C1 ZINC000004683106 210246170 /nfs/dbraw/zinc/24/61/70/210246170.db2.gz PKMGAMIZEJERMX-HFSMHLIXSA-N 1 0 347.499 3.596 40 0 EHABRO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3cccc4ccccc43)C2)n1 ZINC000097953413 219063481 /nfs/dbraw/zinc/06/34/81/219063481.db2.gz FGUIPYADIHVPDK-MISYRCLQSA-N 1 0 349.434 3.678 40 0 EHABRO O=[S@@](OCC[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000004618979 210231632 /nfs/dbraw/zinc/23/16/32/210231632.db2.gz ZXMOSQSEGWJUAA-HSZRJFAPSA-N 1 0 329.465 3.552 40 0 EHABRO CC[NH+](CC)CCOC(COc1ccccc1)COc1ccccc1 ZINC000001586349 209762707 /nfs/dbraw/zinc/76/27/07/209762707.db2.gz ZOOXLUBHYUJSSN-UHFFFAOYSA-N 1 0 343.467 3.871 40 0 EHABRO CC[NH+](CC)CCNCc1ccccc1OCc1ccccc1F ZINC000022075307 212276700 /nfs/dbraw/zinc/27/67/00/212276700.db2.gz SLZVBKGYBDDEKW-UHFFFAOYSA-N 1 0 330.447 3.836 40 0 EHABRO CCN(CC)CC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000022075568 212276804 /nfs/dbraw/zinc/27/68/04/212276804.db2.gz OKFYBPINICXMNM-UHFFFAOYSA-N 1 0 330.447 3.836 40 0 EHABRO CN(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022075838 212276653 /nfs/dbraw/zinc/27/66/53/212276653.db2.gz HSKWPVPIBCZFQK-UHFFFAOYSA-N 1 0 336.838 3.709 40 0 EHABRO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000225672444 241979916 /nfs/dbraw/zinc/97/99/16/241979916.db2.gz UKIBQIVERVKYQO-FQEVSTJZSA-N 1 0 348.487 3.551 40 0 EHABRO CCOc1ccccc1NC(=S)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225727137 242007061 /nfs/dbraw/zinc/00/70/61/242007061.db2.gz RUZPFWCIDUZBEB-IYBDPMFKSA-N 1 0 349.544 3.740 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2c(F)cccc2F)C1 ZINC000225729160 242008359 /nfs/dbraw/zinc/00/83/59/242008359.db2.gz MZSYHRQGLLNWLM-BETUJISGSA-N 1 0 341.471 3.619 40 0 EHABRO O=C(c1ccsc1)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257199702 244116008 /nfs/dbraw/zinc/11/60/08/244116008.db2.gz AAOARSIQDLZZAE-GOSISDBHSA-N 1 0 341.480 3.716 40 0 EHABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257233094 244220399 /nfs/dbraw/zinc/22/03/99/244220399.db2.gz GNTOTNUBQGUNND-QGZVFWFLSA-N 1 0 333.439 3.555 40 0 EHABRO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257234601 244222553 /nfs/dbraw/zinc/22/25/53/244222553.db2.gz GUHVOPZEEQFZNL-MRXNPFEDSA-N 1 0 339.468 3.882 40 0 EHABRO Cc1cccc(Nc2cc(C3CC[NH+](Cc4cnc[nH]4)CC3)ccn2)n1 ZINC000257269372 244370685 /nfs/dbraw/zinc/37/06/85/244370685.db2.gz MPRNOZFIYFXKQY-UHFFFAOYSA-N 1 0 348.454 3.631 40 0 EHABRO Cc1c(C[N@@H+](C)[C@H](C)Cc2ccccn2)cnn1Cc1ccccc1 ZINC000019554475 212041132 /nfs/dbraw/zinc/04/11/32/212041132.db2.gz DQIMXMSIQOXRLV-QGZVFWFLSA-N 1 0 334.467 3.698 40 0 EHABRO CC[N@H+](Cc1cccc(Cn2nc(C)cc2C)c1)Cc1cnc(C)nc1 ZINC000012363367 211355737 /nfs/dbraw/zinc/35/57/37/211355737.db2.gz FAZPEYIYOAUWHL-UHFFFAOYSA-N 1 0 349.482 3.669 40 0 EHABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CC2)CC1)c1cccs1 ZINC000012186902 211313572 /nfs/dbraw/zinc/31/35/72/211313572.db2.gz PJUJMUJHDUMKQG-UHFFFAOYSA-N 1 0 340.492 3.674 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000012170346 211310215 /nfs/dbraw/zinc/31/02/15/211310215.db2.gz FROLMVAMIZKMMK-FDIDQYAWSA-N 1 0 325.537 3.947 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 ZINC000010383786 211168840 /nfs/dbraw/zinc/16/88/40/211168840.db2.gz ZPAXXNYDPJXTDT-JKWXVORWSA-N 1 0 335.532 3.558 40 0 EHABRO Oc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CC[NH2+]CC1 ZINC000000024923 563211620 /nfs/dbraw/zinc/21/16/20/563211620.db2.gz NDFMTPISBHBIKE-UHFFFAOYSA-N 1 0 326.827 3.725 40 0 in-vitro EHABRO CC[NH+](CC)Cc1ccccc1COC(=O)c1ccc(OC)cc1 ZINC000001725106 563407685 /nfs/dbraw/zinc/40/76/85/563407685.db2.gz ZVFHSKWZYSLXJY-UHFFFAOYSA-N 1 0 327.424 3.894 40 0 EHABRO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000008254077 563624761 /nfs/dbraw/zinc/62/47/61/563624761.db2.gz PYMWYYJFVDUCPG-CQSZACIVSA-N 1 0 349.858 3.788 40 0 EHABRO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccccc1Cl ZINC000008254706 563625066 /nfs/dbraw/zinc/62/50/66/563625066.db2.gz UJHRLAGRHVXLLJ-AWEZNQCLSA-N 1 0 349.858 3.788 40 0 EHABRO c1csc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)c1 ZINC000012668888 563667489 /nfs/dbraw/zinc/66/74/89/563667489.db2.gz ANJWJPPLIHUAGQ-UHFFFAOYSA-N 1 0 326.425 3.573 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1ccccc1C ZINC000044850392 563927215 /nfs/dbraw/zinc/92/72/15/563927215.db2.gz NPPOLHNDRSKGOR-QZTJIDSGSA-N 1 0 332.488 3.533 40 0 EHABRO C[NH2+][C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccc(C)cc2)[C@@H]1O ZINC000299850770 563964091 /nfs/dbraw/zinc/96/40/91/563964091.db2.gz NGFNYBUAKXKVHX-NSISKUIASA-N 1 0 327.424 3.668 40 0 EHABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100018 563971356 /nfs/dbraw/zinc/97/13/56/563971356.db2.gz CJNCXWHGVFKGTH-GOSISDBHSA-N 1 0 335.517 3.599 40 0 EHABRO c1cncc(COCC[C@H]2CCOC23CC[NH+](C2CCCC2)CC3)c1 ZINC000585104964 563971578 /nfs/dbraw/zinc/97/15/78/563971578.db2.gz MWJDLVIXOKWXLE-IBGZPJMESA-N 1 0 344.499 3.802 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)o1 ZINC000096046558 563978135 /nfs/dbraw/zinc/97/81/35/563978135.db2.gz ZBFQEUPZUQOROY-UHFFFAOYSA-N 1 0 344.480 3.778 40 0 EHABRO Fc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096047579 563978232 /nfs/dbraw/zinc/97/82/32/563978232.db2.gz DCSMHJYMKBDLGL-WMZOPIPTSA-N 1 0 332.444 3.733 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)o1 ZINC000096050864 563978471 /nfs/dbraw/zinc/97/84/71/563978471.db2.gz LQGNXUNGMQBUDQ-GOSISDBHSA-N 1 0 330.453 3.587 40 0 EHABRO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)s1 ZINC000096053864 563978739 /nfs/dbraw/zinc/97/87/39/563978739.db2.gz RYJFYUYRNDWHRB-CALCHBBNSA-N 1 0 330.472 3.759 40 0 EHABRO CN1C(=O)C2(CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000096100246 563979198 /nfs/dbraw/zinc/97/91/98/563979198.db2.gz DPTIOWHJQXBPJF-LJQANCHMSA-N 1 0 338.426 3.621 40 0 EHABRO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1C ZINC000585288477 563982080 /nfs/dbraw/zinc/98/20/80/563982080.db2.gz BKYYCWGZHTXUDO-BHDDXSALSA-N 1 0 339.479 3.797 40 0 EHABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(N3CCOCC3)nc2)cc1 ZINC000072216189 563985487 /nfs/dbraw/zinc/98/54/87/563985487.db2.gz NLAOXOOIVIMAFR-FQEVSTJZSA-N 1 0 337.467 3.645 40 0 EHABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260457990 563999964 /nfs/dbraw/zinc/99/99/64/563999964.db2.gz GISGQULYQJUEDR-QUCCMNQESA-N 1 0 346.515 3.923 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccccc2C)cc1 ZINC000000568283 564012762 /nfs/dbraw/zinc/01/27/62/564012762.db2.gz CULCLVLGXFPLLO-UHFFFAOYSA-N 1 0 326.440 3.854 40 0 EHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000009063098 564016590 /nfs/dbraw/zinc/01/65/90/564016590.db2.gz RSUOIMQLLJNLJL-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCC3CCCCC3)CC2)cc1 ZINC000224532031 564043101 /nfs/dbraw/zinc/04/31/01/564043101.db2.gz KACNXQUZBAUFNY-UHFFFAOYSA-N 1 0 328.500 3.904 40 0 EHABRO Cc1ccc(C(C)C)c(OCC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000225600470 564048233 /nfs/dbraw/zinc/04/82/33/564048233.db2.gz XFYSGTTVONTRFA-UHFFFAOYSA-N 1 0 346.515 3.880 40 0 EHABRO COc1cc(C)c(C(=O)NCCC[NH+]2CCC(C)CC2)cc1C(C)C ZINC000225662467 564049178 /nfs/dbraw/zinc/04/91/78/564049178.db2.gz SPYABXRLRVHREE-UHFFFAOYSA-N 1 0 346.515 3.979 40 0 EHABRO Cc1ccc(C(C)C)c(OCC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260846792 564052685 /nfs/dbraw/zinc/05/26/85/564052685.db2.gz ZKRNJNBMNLYDPR-SFHVURJKSA-N 1 0 346.515 3.735 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000248122768 564053004 /nfs/dbraw/zinc/05/30/04/564053004.db2.gz NMVMOJUPFNJQDD-USXIJHARSA-N 1 0 344.480 3.714 40 0 EHABRO Cc1ncc(-c2cncc(C3CC[NH+](Cc4ccccc4)CC3)n2)n1C ZINC000257293527 564054909 /nfs/dbraw/zinc/05/49/09/564054909.db2.gz QPWULWNVJKYRJD-UHFFFAOYSA-N 1 0 347.466 3.565 40 0 EHABRO CC(C)n1nccc1-c1cnc(CC2CC[NH+](C(C)C)CC2)cn1 ZINC000257327154 564055485 /nfs/dbraw/zinc/05/54/85/564055485.db2.gz XAFDPMXNEPHHFD-UHFFFAOYSA-N 1 0 327.476 3.584 40 0 EHABRO C[N@@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1ccccn1 ZINC000257334481 564055654 /nfs/dbraw/zinc/05/56/54/564055654.db2.gz YGCAEDSYNMIMNC-SLFFLAALSA-N 1 0 335.451 3.522 40 0 EHABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccco4)C2)C3)cc1 ZINC000306132154 564062177 /nfs/dbraw/zinc/06/21/77/564062177.db2.gz LACJGGGCLAIBRS-HXUWFJFHSA-N 1 0 337.398 3.731 40 0 EHABRO CCN(C)[C@H]1C[N@H+](Cc2c(C)nn(CC)c2C)C2(C1)CCCCC2 ZINC000019703799 564128064 /nfs/dbraw/zinc/12/80/64/564128064.db2.gz PEKIEJFESGIXMZ-GOSISDBHSA-N 1 0 332.536 3.749 40 0 EHABRO C[NH2+][C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2cccc(F)c2)[C@@H]1O ZINC000257306967 564134847 /nfs/dbraw/zinc/13/48/47/564134847.db2.gz SWSZJCYWQGZPIH-SZVBFZGTSA-N 1 0 349.377 3.637 40 0 EHABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000095534892 564141677 /nfs/dbraw/zinc/14/16/77/564141677.db2.gz PYUNSQUXYBPGFH-AWEZNQCLSA-N 1 0 332.329 3.733 40 0 EHABRO C[NH+](C)CCN1c2ccccc2S[C@@H](c2ccccc2)CC1=O ZINC000004626698 210235510 /nfs/dbraw/zinc/23/55/10/210235510.db2.gz QJJXOEFWXSQISU-GOSISDBHSA-N 1 0 326.465 3.818 40 0 in-man EHABRO CC(C)c1ccccc1OCCOC[C@@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000004279094 210159878 /nfs/dbraw/zinc/15/98/78/210159878.db2.gz YXDQQRCSNQVCON-FHWLQOOXSA-N 1 0 349.515 3.829 40 0 EHABRO CC[C@H]1[C@H](O)C[C@H](c2ccc(OC)cc2)[NH2+][C@H]1c1ccc(OC)cc1 ZINC000102063708 219183432 /nfs/dbraw/zinc/18/34/32/219183432.db2.gz WBWWKIRERSPQIP-BQJUDKOJSA-N 1 0 341.451 3.867 40 0 EHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2c(F)cc(F)cc2F)CC1 ZINC000067802657 215215425 /nfs/dbraw/zinc/21/54/25/215215425.db2.gz VAHOAPCOICQCMS-UHFFFAOYSA-N 1 0 344.377 3.593 40 0 EHABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000038753647 213222963 /nfs/dbraw/zinc/22/29/63/213222963.db2.gz FVKCBRXFTJPYHD-OAHLLOKOSA-N 1 0 326.415 3.913 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000037530394 213154157 /nfs/dbraw/zinc/15/41/57/213154157.db2.gz FROLMVAMIZKMMK-LWICZACBSA-N 1 0 325.537 3.947 40 0 EHABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccoc1 ZINC000036740328 213115284 /nfs/dbraw/zinc/11/52/84/213115284.db2.gz OAVLKCLHCOFSRO-UHFFFAOYSA-N 1 0 325.412 3.577 40 0 EHABRO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)n1 ZINC000072376193 216179087 /nfs/dbraw/zinc/17/90/87/216179087.db2.gz GMZQYAHVBRLGTN-KRWDZBQOSA-N 1 0 338.459 3.707 40 0 EHABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072376600 216179893 /nfs/dbraw/zinc/17/98/93/216179893.db2.gz RBDLYZJTVAISNT-HXUWFJFHSA-N 1 0 346.478 3.998 40 0 EHABRO c1cncc(-c2nnc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)o2)c1 ZINC000072389987 216189811 /nfs/dbraw/zinc/18/98/11/216189811.db2.gz INOMNXRYKXBYLL-QGZVFWFLSA-N 1 0 326.444 3.891 40 0 EHABRO O=c1cc(C2CC[NH+](CC3CCCC3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392814 216190631 /nfs/dbraw/zinc/19/06/31/216190631.db2.gz ABJHTHGKFIHLQN-UHFFFAOYSA-N 1 0 338.455 3.614 40 0 EHABRO CC(C)[C@H]([NH3+])c1nnc2ccc(-c3ccc(Cl)cc3Cl)nn21 ZINC000217565257 241259255 /nfs/dbraw/zinc/25/92/55/241259255.db2.gz ZKOOMXQFWQDHEL-AWEZNQCLSA-N 1 0 336.226 3.754 40 0 EHABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 ZINC000257285312 244419305 /nfs/dbraw/zinc/41/93/05/244419305.db2.gz PGODJCBXVULLFD-OAHLLOKOSA-N 1 0 334.423 3.543 40 0 EHABRO Cc1ncc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719810 212056667 /nfs/dbraw/zinc/05/66/67/212056667.db2.gz FFODLXNFERIEFX-CQSZACIVSA-N 1 0 326.469 3.783 40 0 EHABRO Cc1[nH]c2cc(C)ccc2c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000019658943 212054438 /nfs/dbraw/zinc/05/44/38/212054438.db2.gz OOEIBPHTWXZHRJ-UHFFFAOYSA-N 1 0 336.439 3.618 40 0 EHABRO Cc1c2ccccc2oc1C[NH+]1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019566357 212043870 /nfs/dbraw/zinc/04/38/70/212043870.db2.gz LNSPZYYYAOQBNM-IYBDPMFKSA-N 1 0 342.483 3.815 40 0 EHABRO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000019286854 212010749 /nfs/dbraw/zinc/01/07/49/212010749.db2.gz ZWKXNIDOKPRLEP-LJQANCHMSA-N 1 0 345.450 3.622 40 0 EHABRO COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1)CCC2 ZINC000019120535 212000731 /nfs/dbraw/zinc/00/07/31/212000731.db2.gz ODAPKRSRHVGXGY-FXAWDEMLSA-N 1 0 340.467 3.981 40 0 EHABRO O=C([C@@H]1CCC[N@@H+](CC2(c3ccc(Cl)cc3)CC2)C1)N1CCCC1 ZINC000012364616 211355086 /nfs/dbraw/zinc/35/50/86/211355086.db2.gz ZIWJOVKUKYCIFZ-MRXNPFEDSA-N 1 0 346.902 3.706 40 0 EHABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CC[NH2+]C3)nn21 ZINC000012257386 211332088 /nfs/dbraw/zinc/33/20/88/211332088.db2.gz LDYYLOFRDFTTPA-VIFPVBQESA-N 1 0 338.358 3.554 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(-c3cccs3)no2)C1 ZINC000012205090 211321075 /nfs/dbraw/zinc/32/10/75/211321075.db2.gz DPLUYDXWJSDCFA-OKILXGFUSA-N 1 0 347.484 3.501 40 0 EHABRO Cc1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc(C)c1OCC(C)C ZINC000095095392 218280708 /nfs/dbraw/zinc/28/07/08/218280708.db2.gz FVZOCOKDUXSBKW-HNNXBMFYSA-N 1 0 329.444 3.855 40 0 EHABRO CC1CCC([NH2+]Cc2nnc(SCc3ccccc3)n2C)CC1 ZINC000005001696 210357373 /nfs/dbraw/zinc/35/73/73/210357373.db2.gz IVZPEZSVYGBJII-UHFFFAOYSA-N 1 0 330.501 3.776 40 0 EHABRO CCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1 ZINC000004887999 210313628 /nfs/dbraw/zinc/31/36/28/210313628.db2.gz VBJWHJQAUFGRIO-YQQQUEKLSA-N 1 0 345.556 3.755 40 0 EHABRO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714588 257684947 /nfs/dbraw/zinc/68/49/47/257684947.db2.gz KHCKVAHSJRUZNI-IVAOSVALSA-N 1 0 328.500 3.731 40 0 EHABRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062893 257862070 /nfs/dbraw/zinc/86/20/70/257862070.db2.gz AQCOFZZIAMJAAU-UHFFFAOYSA-N 1 0 336.479 3.832 40 0 EHABRO Cc1ccc(Oc2ccc(C(=O)C(CN(C)C)C[NH+](C)C)cc2)cc1 ZINC000001607909 563396091 /nfs/dbraw/zinc/39/60/91/563396091.db2.gz RKXXAJGWFQQHRH-UHFFFAOYSA-N 1 0 340.467 3.709 40 0 EHABRO O=C(Cc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011697 563619041 /nfs/dbraw/zinc/61/90/41/563619041.db2.gz JMLZQZJLWYLWQC-UHFFFAOYSA-N 1 0 342.870 3.795 40 0 EHABRO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000008254079 563624751 /nfs/dbraw/zinc/62/47/51/563624751.db2.gz PYMWYYJFVDUCPG-AWEZNQCLSA-N 1 0 349.858 3.788 40 0 EHABRO CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291604 563657156 /nfs/dbraw/zinc/65/71/56/563657156.db2.gz KKYWGPWHWILZMQ-IBGZPJMESA-N 1 0 344.499 3.531 40 0 EHABRO O=c1[nH]cc(-c2ccc(F)cc2)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000012670600 563667554 /nfs/dbraw/zinc/66/75/54/563667554.db2.gz GUXUNJOWQZRTAL-UHFFFAOYSA-N 1 0 326.346 3.610 40 0 EHABRO O=C(CC(c1ccccc1)c1ccccc1)NCC[NH+]1CCCCC1 ZINC000013717062 563715695 /nfs/dbraw/zinc/71/56/95/563715695.db2.gz LEDVFEWXGDXTIN-UHFFFAOYSA-N 1 0 336.479 3.811 40 0 EHABRO CC[NH+](CC)C[C@@H](O)CNc1ccnc2cc(Cl)c(Cl)cc21 ZINC000031614156 563912888 /nfs/dbraw/zinc/91/28/88/563912888.db2.gz LJUAGDICZIDMII-NSHDSACASA-N 1 0 342.270 3.656 40 0 EHABRO Cc1ccc(C)c(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044872770 563927300 /nfs/dbraw/zinc/92/73/00/563927300.db2.gz NKUKKCHSBWLBTC-UHFFFAOYSA-N 1 0 336.479 3.758 40 0 EHABRO Cc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)c1 ZINC000585105501 563971520 /nfs/dbraw/zinc/97/15/20/563971520.db2.gz YEKMSRFKZVQAFZ-IBGZPJMESA-N 1 0 340.492 3.667 40 0 EHABRO Cc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000585104742 563971601 /nfs/dbraw/zinc/97/16/01/563971601.db2.gz LVAHIJSCMVEIIF-LJQANCHMSA-N 1 0 340.492 3.667 40 0 EHABRO CC(C)CC[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109179 563971677 /nfs/dbraw/zinc/97/16/77/563971677.db2.gz CMEHDXQCVDQKCV-GBESFXJTSA-N 1 0 328.500 3.965 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)o1 ZINC000096047015 563978175 /nfs/dbraw/zinc/97/81/75/563978175.db2.gz YUABDOATDQDXNZ-LJQANCHMSA-N 1 0 344.480 3.778 40 0 EHABRO Fc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)c1 ZINC000096047585 563978229 /nfs/dbraw/zinc/97/82/29/563978229.db2.gz PWGBGNBWEKZWBV-ZWKOTPCHSA-N 1 0 332.444 3.733 40 0 EHABRO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1ccco1)CC2 ZINC000096047293 563978274 /nfs/dbraw/zinc/97/82/74/563978274.db2.gz ZZQNMPOICCKGRC-UHFFFAOYSA-N 1 0 344.480 3.860 40 0 EHABRO Fc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)c1 ZINC000096047584 563978304 /nfs/dbraw/zinc/97/83/04/563978304.db2.gz PWGBGNBWEKZWBV-QZTJIDSGSA-N 1 0 332.444 3.733 40 0 EHABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1ccsc1)CC2 ZINC000096049269 563978422 /nfs/dbraw/zinc/97/84/22/563978422.db2.gz AWSCIBGKXCVZEG-UHFFFAOYSA-N 1 0 334.529 3.999 40 0 EHABRO Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccco3)[C@@H]2C1 ZINC000096054578 563978710 /nfs/dbraw/zinc/97/87/10/563978710.db2.gz QBOZYILEXJSWSU-JQHSSLGASA-N 1 0 342.439 3.554 40 0 EHABRO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2nccs2)C3)cs1 ZINC000096109269 563979245 /nfs/dbraw/zinc/97/92/45/563979245.db2.gz LDDLLIRBNDPRGQ-PBHICJAKSA-N 1 0 349.525 3.727 40 0 EHABRO CC(C)[NH+]1CCC2(CC1)c1cc(F)ccc1N(c1cccnc1)C2=O ZINC000096261739 563980668 /nfs/dbraw/zinc/98/06/68/563980668.db2.gz AYGGTTTZYGIRST-UHFFFAOYSA-N 1 0 339.414 3.641 40 0 EHABRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063488 564016625 /nfs/dbraw/zinc/01/66/25/564016625.db2.gz JQRJQHJAUKTZQA-UHFFFAOYSA-N 1 0 330.378 3.816 40 0 EHABRO O=C(CSc1ccc(Cl)cc1)NCCC[NH+]1CCCCCC1 ZINC000010111095 564018396 /nfs/dbraw/zinc/01/83/96/564018396.db2.gz SPUYGEWHWZZSTQ-UHFFFAOYSA-N 1 0 340.920 3.814 40 0 EHABRO Clc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccn4)C3)o2)cc1 ZINC000049169434 564032513 /nfs/dbraw/zinc/03/25/13/564032513.db2.gz MEIFUJODEYLJJL-AWEZNQCLSA-N 1 0 340.814 3.775 40 0 biogenic,in-vitro EHABRO Fc1ccc(NC(=S)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224640780 564043341 /nfs/dbraw/zinc/04/33/41/564043341.db2.gz SNDOJSRQSDNKPJ-UHFFFAOYSA-N 1 0 343.471 3.908 40 0 EHABRO S=C(NCCC[NH+]1CCCC1)Nc1ccc(OC2CCCC2)cc1 ZINC000225434768 564046700 /nfs/dbraw/zinc/04/67/00/564046700.db2.gz FMOOKUOSICICQS-UHFFFAOYSA-N 1 0 347.528 3.780 40 0 EHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225602684 564048294 /nfs/dbraw/zinc/04/82/94/564048294.db2.gz WOXBLGSNGOPNHB-HXUWFJFHSA-N 1 0 348.487 3.695 40 0 EHABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225647542 564048958 /nfs/dbraw/zinc/04/89/58/564048958.db2.gz LNXLYBWWQRFJEX-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225650194 564048994 /nfs/dbraw/zinc/04/89/94/564048994.db2.gz JQAFXIPRPGLKAD-HXUWFJFHSA-N 1 0 348.487 3.695 40 0 EHABRO CNc1cc([C@@H]2CCCN2C(=O)c2ccc3ncccc3c2)ccn1 ZINC000257287270 564054731 /nfs/dbraw/zinc/05/47/31/564054731.db2.gz PPFQWPLMWAVGIQ-SFHVURJKSA-N 1 0 332.407 3.649 40 0 EHABRO CNc1cc([C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)ccn1 ZINC000257286765 564054737 /nfs/dbraw/zinc/05/47/37/564054737.db2.gz PMYHFFPXRSPLKD-QGZVFWFLSA-N 1 0 346.434 3.691 40 0 EHABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257332566 564055600 /nfs/dbraw/zinc/05/56/00/564055600.db2.gz XXWPFDNHXZXDIV-NRFANRHFSA-N 1 0 348.450 3.536 40 0 EHABRO CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cscn2)n1 ZINC000257333118 564055608 /nfs/dbraw/zinc/05/56/08/564055608.db2.gz YAFQIBSMZRGFBN-KRWDZBQOSA-N 1 0 330.501 3.591 40 0 EHABRO COCc1csc(-c2cccc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)n1 ZINC000257334262 564055667 /nfs/dbraw/zinc/05/56/67/564055667.db2.gz YFEPQKWQCZXZAL-CQSZACIVSA-N 1 0 331.485 3.939 40 0 EHABRO c1ccc(C[N@@H+]2CC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000257344971 564055835 /nfs/dbraw/zinc/05/58/35/564055835.db2.gz ZZKUKARTKAWLBB-KRWDZBQOSA-N 1 0 331.423 3.605 40 0 EHABRO CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CC2)[nH+]1 ZINC000328988397 564071309 /nfs/dbraw/zinc/07/13/09/564071309.db2.gz IGQDNUZZWLTDSP-UHFFFAOYSA-N 1 0 336.483 3.894 40 0 EHABRO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044912761 564128523 /nfs/dbraw/zinc/12/85/23/564128523.db2.gz BAKGSSKRDQSLGS-XLIONFOSSA-N 1 0 334.463 3.876 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000009062870 1017033691 /nfs/dbraw/zinc/03/36/91/1017033691.db2.gz PGJXJLPAZCACEJ-UHFFFAOYSA-N 1 0 336.479 3.566 40 0 EHABRO CC[C@@H]1[N+](c2ccccc2)=C2CCCN2[C@@]1(O)c1ccc(Cl)cc1 ZINC000015230849 1019382401 /nfs/dbraw/zinc/38/24/01/1019382401.db2.gz MCDAKGLADSITDO-AZUAARDMSA-N 1 0 341.862 3.989 40 0 EHABRO Cc1cnn(-c2cc[nH+]cc2NCc2cccc(OC3CC3)c2F)c1 ZINC000657417119 1040096871 /nfs/dbraw/zinc/09/68/71/1040096871.db2.gz UEHFZPVQRWQUCJ-UHFFFAOYSA-N 1 0 338.386 3.868 40 0 EHABRO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834270 213228322 /nfs/dbraw/zinc/22/83/22/213228322.db2.gz QGKRTJXLBHSKIU-GOSISDBHSA-N 1 0 338.451 3.936 40 0 EHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCc3ccccc3)cc2)C1 ZINC000038832966 213226416 /nfs/dbraw/zinc/22/64/16/213226416.db2.gz JPSCONBINUQDGT-SFHVURJKSA-N 1 0 336.479 3.891 40 0 EHABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832854 213226234 /nfs/dbraw/zinc/22/62/34/213226234.db2.gz TZJGCXIBJFIDOF-APWZRJJASA-N 1 0 340.442 3.915 40 0 EHABRO CC(C)(C)c1cc(CC2([NH2+]Cc3c[nH]c4ccccc34)COC2)no1 ZINC000072321913 216149772 /nfs/dbraw/zinc/14/97/72/216149772.db2.gz CMWLMJMHVRYRFD-UHFFFAOYSA-N 1 0 339.439 3.555 40 0 biogenic,in-vitro EHABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000072355665 216165153 /nfs/dbraw/zinc/16/51/53/216165153.db2.gz SFMLPNLRJJQLNJ-SFHVURJKSA-N 1 0 333.439 3.562 40 0 EHABRO Cc1cccc(OCC[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369847 216177263 /nfs/dbraw/zinc/17/72/63/216177263.db2.gz GFKKZBDNNMBLLK-SFHVURJKSA-N 1 0 349.434 3.913 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389950 216188943 /nfs/dbraw/zinc/18/89/43/216188943.db2.gz ZSEXZDXTWJIECH-GOSISDBHSA-N 1 0 334.423 3.820 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389949 216189015 /nfs/dbraw/zinc/18/90/15/216189015.db2.gz ZSEXZDXTWJIECH-SFHVURJKSA-N 1 0 334.423 3.820 40 0 EHABRO c1cc(-c2nnc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)o2)ccn1 ZINC000072389957 216189697 /nfs/dbraw/zinc/18/96/97/216189697.db2.gz BOOMWOMJLBSSAA-QGZVFWFLSA-N 1 0 326.444 3.891 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2cccc(Cl)c2)C1 ZINC000225726694 242004405 /nfs/dbraw/zinc/00/44/05/242004405.db2.gz KVVYJPKRDZUNQN-OKILXGFUSA-N 1 0 339.936 3.994 40 0 EHABRO Cc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000225726489 242005202 /nfs/dbraw/zinc/00/52/02/242005202.db2.gz FLEHDFAMRABBJJ-HUUCEWRRSA-N 1 0 333.545 3.958 40 0 EHABRO CCc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225727649 242006998 /nfs/dbraw/zinc/00/69/98/242006998.db2.gz DLAHCYFPKKHARR-HZPDHXFCSA-N 1 0 333.545 3.903 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2c(F)cccc2F)C1 ZINC000225729187 242008301 /nfs/dbraw/zinc/00/83/01/242008301.db2.gz MZSYHRQGLLNWLM-STQMWFEESA-N 1 0 341.471 3.619 40 0 EHABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000225736529 242013207 /nfs/dbraw/zinc/01/32/07/242013207.db2.gz JGIIHXXFSVPOGC-GFCCVEGCSA-N 1 0 343.899 3.888 40 0 EHABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccccc3)nc2)ccn1 ZINC000257199603 244116420 /nfs/dbraw/zinc/11/64/20/244116420.db2.gz AABSBXXJYLPLBP-LJQANCHMSA-N 1 0 345.450 3.917 40 0 EHABRO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257244550 244254013 /nfs/dbraw/zinc/25/40/13/244254013.db2.gz ILVUBTFQUBRPOZ-QGZVFWFLSA-N 1 0 347.466 3.630 40 0 EHABRO Fc1ccccc1C[C@H]1CC2(CO1)CC[NH+](Cc1ccccn1)CC2 ZINC000257240588 244241548 /nfs/dbraw/zinc/24/15/48/244241548.db2.gz HUFUIHWUHBTZEW-IBGZPJMESA-N 1 0 340.442 3.835 40 0 EHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019557575 212042921 /nfs/dbraw/zinc/04/29/21/212042921.db2.gz AUMKXFZCRHJWFM-ANULTFPQSA-N 1 0 327.468 3.904 40 0 EHABRO COc1ccc(-c2ncc(C[N@H+](C)[C@@H](C)Cc3ccccn3)cn2)cc1 ZINC000019456970 212029290 /nfs/dbraw/zinc/02/92/90/212029290.db2.gz KVZZMACSVAOHSC-INIZCTEOSA-N 1 0 348.450 3.610 40 0 EHABRO Cc1c2ccccc2[nH]c1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012204991 211320655 /nfs/dbraw/zinc/32/06/55/211320655.db2.gz TVQSJVRIVVZNNU-HUUCEWRRSA-N 1 0 327.472 3.574 40 0 EHABRO Cc1c2cc(C)ccc2n(C)c1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000012148684 211307256 /nfs/dbraw/zinc/30/72/56/211307256.db2.gz QKOGYBNUAHHTHQ-UHFFFAOYSA-N 1 0 341.499 3.740 40 0 EHABRO Cc1ccc(NC(=O)C[NH2+]CC2CCCCC2)cc1Br ZINC000005000517 210355854 /nfs/dbraw/zinc/35/58/54/210355854.db2.gz PBWULZGTNNSFJX-UHFFFAOYSA-N 1 0 339.277 3.866 40 0 EHABRO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000004886628 210311308 /nfs/dbraw/zinc/31/13/08/210311308.db2.gz KUTRLXFVIKQQFP-ZXFUBFMLSA-N 1 0 333.476 3.660 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSC(C)(C)C)CC1 ZINC000009062915 257862319 /nfs/dbraw/zinc/86/23/19/257862319.db2.gz BBNJEJMWPRVMLS-UHFFFAOYSA-N 1 0 348.556 3.855 40 0 EHABRO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1 ZINC000007275026 258052953 /nfs/dbraw/zinc/05/29/53/258052953.db2.gz IDFZHEAZZYXDFU-UHFFFAOYSA-N 1 0 334.419 3.959 40 0 EHABRO CC[NH+](CC)CCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001668772 563401369 /nfs/dbraw/zinc/40/13/69/563401369.db2.gz OFYQRWBTZQABFW-SFTDATJTSA-N 1 0 326.484 3.783 40 0 EHABRO N=C1NC(=[NH2+])N[C@@H](CCc2ccccc2)N1c1ccc2ccccc2c1 ZINC000001725598 563407641 /nfs/dbraw/zinc/40/76/41/563407641.db2.gz XHPXOVCQDASCIN-LJQANCHMSA-N 1 0 343.434 3.667 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@H]1CCCC[C@@H]1C(=O)C1CCCCC1 ZINC000006382268 563566547 /nfs/dbraw/zinc/56/65/47/563566547.db2.gz GCSXQKJRCSGYPB-ROUUACIJSA-N 1 0 337.504 3.827 40 0 EHABRO FC(F)(F)c1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000018162541 563850026 /nfs/dbraw/zinc/85/00/26/563850026.db2.gz OODONUASFAQHNO-UHFFFAOYSA-N 1 0 345.434 3.868 40 0 EHABRO CC1(C)CCCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000039758291 563901119 /nfs/dbraw/zinc/90/11/19/563901119.db2.gz UPRQVBZMEYBVTR-UHFFFAOYSA-N 1 0 332.463 3.686 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(F)cc2F)C1 ZINC000044140372 563926233 /nfs/dbraw/zinc/92/62/33/563926233.db2.gz GESZIROMRAEPBS-BETUJISGSA-N 1 0 341.471 3.619 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(F)cc2F)C1 ZINC000044140373 563926255 /nfs/dbraw/zinc/92/62/55/563926255.db2.gz GESZIROMRAEPBS-STQMWFEESA-N 1 0 341.471 3.619 40 0 EHABRO CC1(C)[C@H](OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@]2(C)CC[C@H]1C2 ZINC000253479428 563950259 /nfs/dbraw/zinc/95/02/59/563950259.db2.gz QJAWMQQAZFJDAY-CUXKYVRBSA-N 1 0 343.511 3.637 40 0 EHABRO COC(=O)/C=C/c1ccc(C[NH2+]CCc2c(C)[nH]c3ccccc32)cc1 ZINC000065748372 563962141 /nfs/dbraw/zinc/96/21/41/563962141.db2.gz RPLQUEPXYREGMA-VAWYXSNFSA-N 1 0 348.446 3.995 40 0 in-vitro EHABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000257279535 563968643 /nfs/dbraw/zinc/96/86/43/563968643.db2.gz OHCIOCQBQKAOMS-GPMSIDNRSA-N 1 0 329.488 3.584 40 0 EHABRO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@H+](CC2CC2)CC3)cc1 ZINC000585100207 563971368 /nfs/dbraw/zinc/97/13/68/563971368.db2.gz HPMWYELRSDEMKI-NRFANRHFSA-N 1 0 326.484 3.752 40 0 EHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)co1 ZINC000585105538 563971603 /nfs/dbraw/zinc/97/16/03/563971603.db2.gz ZBGWMEZYSKRZBI-GOSISDBHSA-N 1 0 342.439 3.515 40 0 EHABRO Cc1ccccc1CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC000585108980 563971662 /nfs/dbraw/zinc/97/16/62/563971662.db2.gz KIVUYCBGKOKWOM-PMACEKPBSA-N 1 0 326.484 3.751 40 0 EHABRO COc1ccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096047604 563978282 /nfs/dbraw/zinc/97/82/82/563978282.db2.gz AYISQKGCRWQKOS-APWZRJJASA-N 1 0 344.480 3.602 40 0 EHABRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)CN1c1cccc(F)c1 ZINC000096077945 563979091 /nfs/dbraw/zinc/97/90/91/563979091.db2.gz XGTRKMPODUOQGY-FQEVSTJZSA-N 1 0 342.389 3.594 40 0 EHABRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000096100281 563979178 /nfs/dbraw/zinc/97/91/78/563979178.db2.gz LUUARNPEMWZOJU-SFHVURJKSA-N 1 0 340.492 3.586 40 0 EHABRO CN1C(=O)C2(CC[NH+](Cc3ccsc3)CC2)[C@H]1c1ccccc1 ZINC000096100238 563979180 /nfs/dbraw/zinc/97/91/80/563979180.db2.gz RXIVFJVJCTVEID-QGZVFWFLSA-N 1 0 326.465 3.544 40 0 EHABRO Cc1cccc(C[NH+]2CCC3(CCC(CC(=O)N(C)C)CC3)CC2)n1 ZINC000096159363 563979813 /nfs/dbraw/zinc/97/98/13/563979813.db2.gz NGKUWFHQHCDJCX-UHFFFAOYSA-N 1 0 343.515 3.641 40 0 EHABRO c1cncc(COC[C@H]2COCCC23CC[NH+](C2CCCC2)CC3)c1 ZINC000096208416 563980154 /nfs/dbraw/zinc/98/01/54/563980154.db2.gz RQRZIYAUXUCNBX-LJQANCHMSA-N 1 0 344.499 3.660 40 0 EHABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@]12CCN(c1ccccn1)C2 ZINC000096239612 563980506 /nfs/dbraw/zinc/98/05/06/563980506.db2.gz KILZBJZKKXKMGR-KRWDZBQOSA-N 1 0 349.450 3.881 40 0 EHABRO O=C(c1ccc(F)c2ccccc12)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC000096268296 563980676 /nfs/dbraw/zinc/98/06/76/563980676.db2.gz UAMSDRHIZHOUHC-FPOVZHCZSA-N 1 0 346.405 3.690 40 0 EHABRO CCn1c[n+](C[C@@H](O)COc2ccc(C(C)C)cc2)c2ccccc21 ZINC000000316238 563996795 /nfs/dbraw/zinc/99/67/95/563996795.db2.gz VGORMHDAQFJLOW-GOSISDBHSA-N 1 0 339.459 3.512 40 0 EHABRO COc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000009063097 564016569 /nfs/dbraw/zinc/01/65/69/564016569.db2.gz MHWNCGMJOWMYFB-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009063565 564016604 /nfs/dbraw/zinc/01/66/04/564016604.db2.gz PNZNAJCDHMIWJO-UHFFFAOYSA-N 1 0 342.414 3.685 40 0 EHABRO Cc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540313 564017478 /nfs/dbraw/zinc/01/74/78/564017478.db2.gz SWUFKLKMPNJUKW-QGZVFWFLSA-N 1 0 334.529 3.714 40 0 EHABRO COC(=O)c1ccc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)cc1 ZINC000062718713 564019047 /nfs/dbraw/zinc/01/90/47/564019047.db2.gz AVZXXGLZAIMVRZ-UHFFFAOYSA-N 1 0 338.363 3.782 40 0 EHABRO CCN(C(=O)Cc1ccc(F)cc1)[C@@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000019695643 564023701 /nfs/dbraw/zinc/02/37/01/564023701.db2.gz KILRTRDLMQIIET-SFHVURJKSA-N 1 0 332.463 3.624 40 0 EHABRO COc1ccccc1/C=C/C[N@@H+]1CC[C@H]2[C@H]1CCCCCN2C(C)=O ZINC000019712492 564023800 /nfs/dbraw/zinc/02/38/00/564023800.db2.gz RRIMTOHQIXFGAR-XHNDXGPJSA-N 1 0 342.483 3.574 40 0 EHABRO Clc1cccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000049169553 564032614 /nfs/dbraw/zinc/03/26/14/564032614.db2.gz POEKIZVHLBELHN-HNNXBMFYSA-N 1 0 340.814 3.775 40 0 biogenic,in-vitro EHABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCCCC1 ZINC000225656886 564049067 /nfs/dbraw/zinc/04/90/67/564049067.db2.gz NHICDFFYOGAAJV-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO Cc1cccnc1C[N@@H+]1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257309201 564055240 /nfs/dbraw/zinc/05/52/40/564055240.db2.gz TZYDYVHYPAMEJR-IBGZPJMESA-N 1 0 347.462 3.629 40 0 EHABRO C[N@H+]1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C(=O)c1ccccn1 ZINC000257341729 564055759 /nfs/dbraw/zinc/05/57/59/564055759.db2.gz ZLSUUWFUZRLLRC-SLFFLAALSA-N 1 0 335.451 3.522 40 0 EHABRO CCCC[NH+](CCCC)Cc1ccc([C@@H]2C[C@@H](C(N)=O)CC2=O)cc1 ZINC000057327827 564091515 /nfs/dbraw/zinc/09/15/15/564091515.db2.gz FXOLDAHPYBOPMB-MOPGFXCFSA-N 1 0 344.499 3.637 40 0 EHABRO C[C@]12C[C@@H](c3ccccc3)N(C(=O)c3cccnc3)[C@H]1CCCCC[NH2+]2 ZINC000019713513 564128118 /nfs/dbraw/zinc/12/81/18/564128118.db2.gz FLZRXZIOOQAVOG-ONTIZHBOSA-N 1 0 349.478 3.960 40 0 EHABRO Fc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047595 564128658 /nfs/dbraw/zinc/12/86/58/564128658.db2.gz XWDSOENHFAHJIU-PMACEKPBSA-N 1 0 344.405 3.810 40 0 EHABRO CC[NH+](CC)CCC[C@@H](CO)Nc1ccnc2cc(Cl)ccc21 ZINC000002025000 564130211 /nfs/dbraw/zinc/13/02/11/564130211.db2.gz FYKKJMZGHNIZKP-HNNXBMFYSA-N 1 0 335.879 3.783 40 0 EHABRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2)c1 ZINC000034892185 564177520 /nfs/dbraw/zinc/17/75/20/564177520.db2.gz ZGSJHDUHKWWBFB-MOPGFXCFSA-N 1 0 327.424 3.574 40 0 EHABRO c1cncc(-c2ccc3nc([C@@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)c1 ZINC000306128225 1137871327 /nfs/dbraw/zinc/87/13/27/1137871327.db2.gz GUQZYTHKFKSWFM-QGZVFWFLSA-N 1 0 333.439 3.523 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000100749996 219105838 /nfs/dbraw/zinc/10/58/38/219105838.db2.gz FSGZPJWEYRTKGC-QKLQHJQFSA-N 1 0 329.488 3.584 40 0 EHABRO COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC000100809385 219106893 /nfs/dbraw/zinc/10/68/93/219106893.db2.gz NQSCDLACMAFTMI-IYBDPMFKSA-N 1 0 334.460 3.621 40 0 EHABRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC000100809330 219107529 /nfs/dbraw/zinc/10/75/29/219107529.db2.gz ZAJCBMWRGOOQEI-IYBDPMFKSA-N 1 0 334.460 3.621 40 0 EHABRO O=C(Nc1cccnc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039753558 213241697 /nfs/dbraw/zinc/24/16/97/213241697.db2.gz OFMURNPZQYNWST-UHFFFAOYSA-N 1 0 329.831 3.586 40 0 EHABRO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848775 213228841 /nfs/dbraw/zinc/22/88/41/213228841.db2.gz IJUYIHBUOMJUHO-LJQANCHMSA-N 1 0 340.442 3.663 40 0 EHABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccco1 ZINC000036740310 213114881 /nfs/dbraw/zinc/11/48/81/213114881.db2.gz ZJYARNHNGUMABK-UHFFFAOYSA-N 1 0 325.412 3.577 40 0 EHABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000035092983 213008375 /nfs/dbraw/zinc/00/83/75/213008375.db2.gz QWQMPFKMFZXHDM-ANZGBMJUSA-N 1 0 335.532 3.843 40 0 EHABRO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000072369807 216177995 /nfs/dbraw/zinc/17/79/95/216177995.db2.gz GSCWYGIMEOJJDD-LJQANCHMSA-N 1 0 336.483 3.683 40 0 EHABRO Fc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072384256 216185093 /nfs/dbraw/zinc/18/50/93/216185093.db2.gz CCXLQJJRTGPSFC-KRWDZBQOSA-N 1 0 343.402 3.724 40 0 EHABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)c1 ZINC000072390041 216189046 /nfs/dbraw/zinc/18/90/46/216189046.db2.gz DAYQMPUIGDLJPF-OAHLLOKOSA-N 1 0 338.386 3.650 40 0 EHABRO Clc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389904 216189192 /nfs/dbraw/zinc/18/91/92/216189192.db2.gz NGRLZXIDHICJDA-OAHLLOKOSA-N 1 0 340.814 3.775 40 0 EHABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389974 216189442 /nfs/dbraw/zinc/18/94/42/216189442.db2.gz JMEPCOKGZJETAP-INIZCTEOSA-N 1 0 338.386 3.650 40 0 EHABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCC[NH2+]C1 ZINC000072391916 216191540 /nfs/dbraw/zinc/19/15/40/216191540.db2.gz BDBHRCZWCCRWEJ-QFIPXVFZSA-N 1 0 336.479 3.791 40 0 EHABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3cccs3)C2)on1 ZINC000072396690 216192994 /nfs/dbraw/zinc/19/29/94/216192994.db2.gz ZMXARGNXLWMILA-GFCCVEGCSA-N 1 0 346.481 3.943 40 0 EHABRO C[C@H]([NH2+][C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 ZINC000073257554 216370644 /nfs/dbraw/zinc/37/06/44/216370644.db2.gz QPOBRHWTGGAIQD-PARXFBHLSA-N 1 0 326.484 3.798 40 0 EHABRO Clc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)c(Cl)c1 ZINC000217556113 241259793 /nfs/dbraw/zinc/25/97/93/241259793.db2.gz LNSQQZBGOXCKLA-CYBMUJFWSA-N 1 0 334.210 3.523 40 0 EHABRO Cc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000224617586 241769292 /nfs/dbraw/zinc/76/92/92/241769292.db2.gz UWZQBTINGFVWMY-UHFFFAOYSA-N 1 0 336.479 3.758 40 0 EHABRO COc1cccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224644264 241771546 /nfs/dbraw/zinc/77/15/46/241771546.db2.gz JUHJXYVOOMAGKK-UHFFFAOYSA-N 1 0 338.451 3.611 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(OC)c(C)c1 ZINC000225883386 242069566 /nfs/dbraw/zinc/06/95/66/242069566.db2.gz LOQQNFFZRJMEDZ-IBGZPJMESA-N 1 0 346.515 3.707 40 0 EHABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020459541 212133783 /nfs/dbraw/zinc/13/37/83/212133783.db2.gz NJJBMMXKKRDDNS-HXUWFJFHSA-N 1 0 346.515 3.843 40 0 EHABRO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000253599965 244032443 /nfs/dbraw/zinc/03/24/43/244032443.db2.gz ZEALQAQNHBRYMM-MRXNPFEDSA-N 1 0 346.521 3.728 40 0 EHABRO Cc1ncc(-c2cccc(C3CC[NH+](Cc4cccnc4)CC3)n2)n1C ZINC000257203995 244125737 /nfs/dbraw/zinc/12/57/37/244125737.db2.gz ASNYVMDSTQALKC-UHFFFAOYSA-N 1 0 347.466 3.565 40 0 EHABRO Cc1cc(Nc2ccccn2)cc(C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000257246404 244257880 /nfs/dbraw/zinc/25/78/80/244257880.db2.gz ITZOGDWTMWMMSA-UHFFFAOYSA-N 1 0 346.438 3.703 40 0 EHABRO CCOc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000020106014 212101613 /nfs/dbraw/zinc/10/16/13/212101613.db2.gz SAABRJYHULBUML-UHFFFAOYSA-N 1 0 338.451 3.611 40 0 EHABRO Brc1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019788602 212066337 /nfs/dbraw/zinc/06/63/37/212066337.db2.gz ORSOTLDCGHFTFF-LZLYRXPVSA-N 1 0 349.316 3.755 40 0 EHABRO Cc1cc(C)n(C2CC[NH+](Cc3c(C)nc4c(C)cccn34)CC2)n1 ZINC000019658978 212054863 /nfs/dbraw/zinc/05/48/63/212054863.db2.gz WHFOLLIBEPNJPT-UHFFFAOYSA-N 1 0 337.471 3.602 40 0 EHABRO COc1cccc(C[NH+]2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)c1 ZINC000019564943 212044503 /nfs/dbraw/zinc/04/45/03/212044503.db2.gz KAMIDGAVFXSEQV-UHFFFAOYSA-N 1 0 349.434 3.724 40 0 EHABRO CC[N@@H+]1CCC[C@@H](n2c(=O)c3c(C)c(C)sc3nc2C(C)C)C1 ZINC000019527113 212037936 /nfs/dbraw/zinc/03/79/36/212037936.db2.gz WHDLJLDCLHQHHQ-CQSZACIVSA-N 1 0 333.501 3.855 40 0 EHABRO O=C(C1CCCC1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294283 212012653 /nfs/dbraw/zinc/01/26/53/212012653.db2.gz WLJBODOUTHPTJK-ZCNNSNEGSA-N 1 0 344.474 3.843 40 0 EHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc21 ZINC000012362909 211356032 /nfs/dbraw/zinc/35/60/32/211356032.db2.gz UAXNSKKEXMKKNJ-HNNXBMFYSA-N 1 0 347.890 3.663 40 0 EHABRO Fc1ccc([C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128990 211300557 /nfs/dbraw/zinc/30/05/57/211300557.db2.gz SWYXMMYNOKJDRY-VQTJNVASSA-N 1 0 335.426 3.975 40 0 EHABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(OC)c1)C2 ZINC000004857085 210303730 /nfs/dbraw/zinc/30/37/30/210303730.db2.gz AIBQYXBSVSFLIB-ALOPSCKCSA-N 1 0 347.528 3.777 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000009062897 257862135 /nfs/dbraw/zinc/86/21/35/257862135.db2.gz VUACNNAGLKXBSH-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000156363344 533923588 /nfs/dbraw/zinc/92/35/88/533923588.db2.gz MBLFXKZTMMGUGQ-MRXNPFEDSA-N 1 0 346.515 3.600 40 0 EHABRO CC[NH+](CC)CCC[C@H](C)Nc1ncnc2ncc3c(c21)CCCC3 ZINC000001556828 563391796 /nfs/dbraw/zinc/39/17/96/563391796.db2.gz VYLVEXRCWZRAFK-HNNXBMFYSA-N 1 0 341.503 3.826 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)C1CCCCC1 ZINC000001593602 563395106 /nfs/dbraw/zinc/39/51/06/563395106.db2.gz XPKGNQQIWJCGHZ-VQTJNVASSA-N 1 0 347.499 3.596 40 0 EHABRO CC[NH+](CC)CCOC(=O)COc1ccc(Cc2ccccc2)cc1 ZINC000001734069 563408371 /nfs/dbraw/zinc/40/83/71/563408371.db2.gz ISVMPYJBVJMMNO-UHFFFAOYSA-N 1 0 341.451 3.541 40 0 EHABRO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000008254538 563625077 /nfs/dbraw/zinc/62/50/77/563625077.db2.gz PGQWIJWRSXJELB-CQSZACIVSA-N 1 0 349.858 3.788 40 0 EHABRO C[C@H](SCc1ccccc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000013648324 563706720 /nfs/dbraw/zinc/70/67/20/563706720.db2.gz KLVXHUDDSSGSOX-KRWDZBQOSA-N 1 0 334.529 3.547 40 0 EHABRO COc1cc2ccccc2cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000030754968 563910600 /nfs/dbraw/zinc/91/06/00/563910600.db2.gz WXKQKBMEDRQJHD-UHFFFAOYSA-N 1 0 340.467 3.844 40 0 EHABRO Cc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000046103192 563929466 /nfs/dbraw/zinc/92/94/66/563929466.db2.gz DHBULMXKIILQCQ-UHFFFAOYSA-N 1 0 339.508 3.730 40 0 EHABRO COc1ccc2c(C[N@@H+]3[C@@H]4CC[C@H]3c3cnc(C)nc3C4)cn(C)c2c1 ZINC000072340966 563966373 /nfs/dbraw/zinc/96/63/73/563966373.db2.gz QAQYKTIZEKBOIM-QRWLVFNGSA-N 1 0 348.450 3.547 40 0 EHABRO CC(C)c1nccc([C@H]2C[C@@H]3CC[N@H+](Cc4ccco4)C[C@H]3O2)n1 ZINC000096046177 563978002 /nfs/dbraw/zinc/97/80/02/563978002.db2.gz GUUZZHYFEFPYEL-BMGDILEWSA-N 1 0 327.428 3.545 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)s1 ZINC000096049330 563978458 /nfs/dbraw/zinc/97/84/58/563978458.db2.gz KPTKHHQUUOBSSL-UHFFFAOYSA-N 1 0 344.480 3.920 40 0 EHABRO CC(C)C[NH+]1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC000096241616 563980500 /nfs/dbraw/zinc/98/05/00/563980500.db2.gz XJOKFNLODRZIFZ-UHFFFAOYSA-N 1 0 338.495 3.696 40 0 EHABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000585285918 563981890 /nfs/dbraw/zinc/98/18/90/563981890.db2.gz UAZKCEJLPWWPQK-PWRODBHTSA-N 1 0 343.442 3.709 40 0 EHABRO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)c1 ZINC000585289928 563982011 /nfs/dbraw/zinc/98/20/11/563982011.db2.gz XWHBWHJQUMBWQC-KSEOMHKRSA-N 1 0 339.479 3.797 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]Cc3cc(C(C)C)no3)[C@H]2O)c1 ZINC000585289532 563982035 /nfs/dbraw/zinc/98/20/35/563982035.db2.gz RFMWBVJHTBSJFD-DFQSSKMNSA-N 1 0 344.455 3.557 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)[C@H]1O ZINC000585288503 563982051 /nfs/dbraw/zinc/98/20/51/563982051.db2.gz CGLNZBQAFIQJCL-DFQSSKMNSA-N 1 0 329.415 3.585 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([N@@H+]2CCc3ccccc3C2)[C@H]1O ZINC000585290475 563982086 /nfs/dbraw/zinc/98/20/86/563982086.db2.gz WSEHWOXNLZJORN-KSEOMHKRSA-N 1 0 337.463 3.714 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000107728368 563984130 /nfs/dbraw/zinc/98/41/30/563984130.db2.gz PWISKJJIVVAGDI-MJGOQNOKSA-N 1 0 330.403 3.573 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000005822933 564014285 /nfs/dbraw/zinc/01/42/85/564014285.db2.gz SUXOVKMFAKGADG-UHFFFAOYSA-N 1 0 341.480 3.655 40 0 EHABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000009063117 564016598 /nfs/dbraw/zinc/01/65/98/564016598.db2.gz VFJABPUHHAHUJF-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO O=c1c(CN(Cc2ccccc2)C[C@H]2CCCO2)coc2ccccc21 ZINC000013993310 564020848 /nfs/dbraw/zinc/02/08/48/564020848.db2.gz QEGGEPVPSWMLBZ-LJQANCHMSA-N 1 0 349.430 3.974 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCC2CCCCC2)CC1 ZINC000224527987 564043055 /nfs/dbraw/zinc/04/30/55/564043055.db2.gz DEDDPCIRAHYEIT-UHFFFAOYSA-N 1 0 328.500 3.904 40 0 EHABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224642755 564043375 /nfs/dbraw/zinc/04/33/75/564043375.db2.gz XOHVZGGVQUOAJI-UHFFFAOYSA-N 1 0 338.451 3.611 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)ccc1OC ZINC000225038785 564044454 /nfs/dbraw/zinc/04/44/54/564044454.db2.gz PNPZAWZSNNYZCZ-HNNXBMFYSA-N 1 0 338.879 3.733 40 0 EHABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225650827 564049001 /nfs/dbraw/zinc/04/90/01/564049001.db2.gz MTVQXRJBFIKSRP-HXUWFJFHSA-N 1 0 348.487 3.695 40 0 EHABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812308 564052597 /nfs/dbraw/zinc/05/25/97/564052597.db2.gz AHRNJQUHNDZVAM-INIZCTEOSA-N 1 0 348.487 3.551 40 0 EHABRO O=C(c1ccccc1)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257228543 564054618 /nfs/dbraw/zinc/05/46/18/564054618.db2.gz FUFQOYOFCDZGSD-HXUWFJFHSA-N 1 0 335.451 3.655 40 0 EHABRO Cc1ccc(C[N@@H+]2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)cn1 ZINC000257283970 564054679 /nfs/dbraw/zinc/05/46/79/564054679.db2.gz PASAVNBNXYHKNL-IBGZPJMESA-N 1 0 335.451 3.562 40 0 EHABRO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cccc3ncccc32)ccn1 ZINC000257287367 564054744 /nfs/dbraw/zinc/05/47/44/564054744.db2.gz PPPPDVHBYNIRKQ-IBGZPJMESA-N 1 0 346.434 3.673 40 0 EHABRO Cc1cccc(CNc2cc(-c3c[nH]nc3[C@@H]3CC[N@@H+](C)C3)ccn2)c1 ZINC000257298218 564055064 /nfs/dbraw/zinc/05/50/64/564055064.db2.gz RKRHBTHEBAIVNL-GOSISDBHSA-N 1 0 347.466 3.811 40 0 EHABRO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257309972 564055264 /nfs/dbraw/zinc/05/52/64/564055264.db2.gz UDDFRLMVRUHYPT-QGZVFWFLSA-N 1 0 333.439 3.555 40 0 EHABRO Cc1ccsc1C[N@@H+]1CC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 ZINC000257318659 564055398 /nfs/dbraw/zinc/05/53/98/564055398.db2.gz VOXLBZJAVOFWEZ-AWEZNQCLSA-N 1 0 339.468 3.535 40 0 EHABRO COc1ccc2[nH]c(C[N@@H+]3CC[C@@H](c4nc(C)cc(C)n4)C3)cc2c1 ZINC000257327624 564055519 /nfs/dbraw/zinc/05/55/19/564055519.db2.gz XCBVSSNSDNFRNE-OAHLLOKOSA-N 1 0 336.439 3.573 40 0 EHABRO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000001475854 564065600 /nfs/dbraw/zinc/06/56/00/564065600.db2.gz PTIKSCXGHSGHDV-IBGZPJMESA-N 1 0 325.452 3.608 40 0 EHABRO Fc1cnccc1C[NH+]1CCC2(C[C@H](c3ccccc3)CO2)CC1 ZINC000063527162 564066355 /nfs/dbraw/zinc/06/63/55/564066355.db2.gz GPAZGYGAMZETFP-SFHVURJKSA-N 1 0 326.415 3.759 40 0 EHABRO COc1cccc(CNc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000329065329 564072074 /nfs/dbraw/zinc/07/20/74/564072074.db2.gz XPZLJWOIWIUDOQ-UHFFFAOYSA-N 1 0 326.444 3.607 40 0 EHABRO CN1C(=O)C2(CC[NH+](Cc3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000096100235 564073153 /nfs/dbraw/zinc/07/31/53/564073153.db2.gz LNIOPKFIAQDRIF-KRWDZBQOSA-N 1 0 326.465 3.544 40 0 EHABRO CC(C)C[NH+]1CCC2(CC1)CC=CCN(Cc1ccc(F)cc1)C2=O ZINC000019744842 564128101 /nfs/dbraw/zinc/12/81/01/564128101.db2.gz CESXJGMELRGIHC-UHFFFAOYSA-N 1 0 344.474 3.852 40 0 EHABRO CN1C(=O)CCCC[C@H]2[N@H+](Cc3ccc4ncccc4c3)CC[C@]21C ZINC000019713676 564128123 /nfs/dbraw/zinc/12/81/23/564128123.db2.gz UKFHWKYHNUOUMG-TZIWHRDSSA-N 1 0 337.467 3.600 40 0 EHABRO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 ZINC000331876616 1137923997 /nfs/dbraw/zinc/92/39/97/1137923997.db2.gz UQUGFIKIAXMFML-GHMZBOCLSA-N 1 0 328.338 3.666 40 0 EHABRO O[C@H]1Cc2cccnc2C(=C2CC[NH2+]CC2)c2ccc(Cl)cc21 ZINC000004638308 210234952 /nfs/dbraw/zinc/23/49/52/210234952.db2.gz UEQNVDYYIWHWNX-KRWDZBQOSA-N 1 0 326.827 3.510 40 0 in-vitro EHABRO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000104118597 219348672 /nfs/dbraw/zinc/34/86/72/219348672.db2.gz UBWQYEJYEDQQDU-QOEVCOJSSA-N 1 0 349.478 3.606 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)cc1 ZINC000072378693 216181303 /nfs/dbraw/zinc/18/13/03/216181303.db2.gz LHPRIICSQIXILS-LJQANCHMSA-N 1 0 334.423 3.613 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389978 216189600 /nfs/dbraw/zinc/18/96/00/216189600.db2.gz HXWSYEQPNPMLBC-GOSISDBHSA-N 1 0 334.423 3.820 40 0 EHABRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389960 216189689 /nfs/dbraw/zinc/18/96/89/216189689.db2.gz PKCMLKFSQNNSQF-GOSISDBHSA-N 1 0 334.423 3.820 40 0 EHABRO c1ccc(-c2nnc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)o2)nc1 ZINC000072390037 216190111 /nfs/dbraw/zinc/19/01/11/216190111.db2.gz OEOHZFDGGMDNBE-MRXNPFEDSA-N 1 0 326.444 3.891 40 0 EHABRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389959 216190300 /nfs/dbraw/zinc/19/03/00/216190300.db2.gz PKCMLKFSQNNSQF-SFHVURJKSA-N 1 0 334.423 3.820 40 0 EHABRO CC(C)CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CC[NH2+]C1 ZINC000072391921 216191629 /nfs/dbraw/zinc/19/16/29/216191629.db2.gz BETNWHSWEWBAJC-JOCHJYFZSA-N 1 0 336.479 3.648 40 0 EHABRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)c2ccccc2n1 ZINC000027984662 212592499 /nfs/dbraw/zinc/59/24/99/212592499.db2.gz JOYGZCCUAXUUDH-UHFFFAOYSA-N 1 0 335.407 3.984 40 0 EHABRO CCn1ncc(CN(Cc2cccs2)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000022915010 212333671 /nfs/dbraw/zinc/33/36/71/212333671.db2.gz ZVWYZEHOUZEFEH-GOSISDBHSA-N 1 0 346.544 3.759 40 0 EHABRO Cc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000225726459 242004500 /nfs/dbraw/zinc/00/45/00/242004500.db2.gz FLEHDFAMRABBJJ-GASCZTMLSA-N 1 0 333.545 3.958 40 0 EHABRO CCc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000225727677 242007250 /nfs/dbraw/zinc/00/72/50/242007250.db2.gz DLAHCYFPKKHARR-HOTGVXAUSA-N 1 0 333.545 3.903 40 0 EHABRO CC(C)(C)OC(=O)N1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC000255189030 244045781 /nfs/dbraw/zinc/04/57/81/244045781.db2.gz NGXREMKRLBTZFT-UHFFFAOYSA-N 1 0 344.377 3.890 40 0 EHABRO O=C(C1CCCCC1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257238701 244235293 /nfs/dbraw/zinc/23/52/93/244235293.db2.gz HMCYKYOCMHGZJW-LJQANCHMSA-N 1 0 342.483 3.511 40 0 EHABRO CSc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019842548 212075500 /nfs/dbraw/zinc/07/55/00/212075500.db2.gz VZRFWQOUJLHFRJ-QYZOEREBSA-N 1 0 328.525 3.738 40 0 EHABRO c1ncn(CCC[NH+]2CCCCC2)c1-c1cnn(Cc2ccccc2)c1 ZINC000019719408 212057424 /nfs/dbraw/zinc/05/74/24/212057424.db2.gz YYPRANOPUNMFPR-UHFFFAOYSA-N 1 0 349.482 3.671 40 0 EHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cccnc1 ZINC000019589112 212048659 /nfs/dbraw/zinc/04/86/59/212048659.db2.gz MKVRAZJQLDHHNF-HBMCJLEFSA-N 1 0 349.478 3.564 40 0 EHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C1CCC1 ZINC000019589062 212048146 /nfs/dbraw/zinc/04/81/46/212048146.db2.gz SBNGBCRNVXFUIK-ZCNNSNEGSA-N 1 0 326.484 3.656 40 0 EHABRO CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)cc1OC ZINC000019519854 212037169 /nfs/dbraw/zinc/03/71/69/212037169.db2.gz MMYFPFVZPUCILL-ZWKOTPCHSA-N 1 0 345.414 3.505 40 0 EHABRO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000019446637 212028421 /nfs/dbraw/zinc/02/84/21/212028421.db2.gz WKUPEBRNSDFFTQ-FXAWDEMLSA-N 1 0 331.504 3.653 40 0 EHABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnc(C)nc2)cc1 ZINC000019287286 212010188 /nfs/dbraw/zinc/01/01/88/212010188.db2.gz VODOIXKHYYPKKX-TUFLPTIASA-N 1 0 337.467 3.856 40 0 EHABRO C[C@@H]1Cc2cc(C[N@H+](C)Cc3cc(=O)[nH]c4ccccc34)ccc2O1 ZINC000012188477 211313130 /nfs/dbraw/zinc/31/31/30/211313130.db2.gz JJAYGAQJJDQZDA-CQSZACIVSA-N 1 0 334.419 3.896 40 0 EHABRO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000012143570 211304423 /nfs/dbraw/zinc/30/44/23/211304423.db2.gz KVIMUCPQAMNFND-FQEVSTJZSA-N 1 0 345.462 3.720 40 0 EHABRO C[N@H+](CCN)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918354 221204365 /nfs/dbraw/zinc/20/43/65/221204365.db2.gz NDAWUPLIPPNPGL-ILEJNFISSA-N 1 0 348.575 3.649 40 0 EHABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)C1CC1 ZINC000225723151 535650671 /nfs/dbraw/zinc/65/06/71/535650671.db2.gz ZIFOPBJIVNEVBJ-FQEVSTJZSA-N 1 0 348.487 3.551 40 0 EHABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2ccc(Cl)c(F)c2)n1 ZINC000257243344 536049888 /nfs/dbraw/zinc/04/98/88/536049888.db2.gz IGNKKWLYUHAQEA-KRWDZBQOSA-N 1 0 348.853 3.668 40 0 EHABRO C[NH2+][C@@H]1CCC[C@@H](Oc2cccc(F)c2Oc2ccc(C)cc2)[C@@H]1O ZINC000257246791 536366484 /nfs/dbraw/zinc/36/64/84/536366484.db2.gz IVVXUXUOCYVRBR-ZHALLVOQSA-N 1 0 345.414 3.807 40 0 EHABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000253608513 563950396 /nfs/dbraw/zinc/95/03/96/563950396.db2.gz PSKUZPOGYZMETL-UEDNIHKISA-N 1 0 325.537 3.803 40 0 EHABRO COc1cc(N[C@H](C)CCC[NH2+]C(C)C)c2ncccc2c1OC ZINC000001729521 563407905 /nfs/dbraw/zinc/40/79/05/563407905.db2.gz KSJAKLHPKINFJD-CQSZACIVSA-N 1 0 331.460 3.831 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@]1(O)CCC[C@H](C)C1 ZINC000001734037 563408311 /nfs/dbraw/zinc/40/83/11/563408311.db2.gz PKMGAMIZEJERMX-DSKINZAPSA-N 1 0 347.499 3.596 40 0 EHABRO O=C(CSc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012207 563619006 /nfs/dbraw/zinc/61/90/06/563619006.db2.gz VFQMLRHQEXHICQ-UHFFFAOYSA-N 1 0 340.492 3.691 40 0 EHABRO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccccc1Cl ZINC000008254701 563625085 /nfs/dbraw/zinc/62/50/85/563625085.db2.gz UJHRLAGRHVXLLJ-CQSZACIVSA-N 1 0 349.858 3.788 40 0 EHABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008337073 563627537 /nfs/dbraw/zinc/62/75/37/563627537.db2.gz QGZAUDIRGZDMBN-MRXNPFEDSA-N 1 0 349.858 3.788 40 0 EHABRO Fc1ccccc1C[NH+]1CCC(c2noc(-c3ccncc3)n2)CC1 ZINC000012668901 563667519 /nfs/dbraw/zinc/66/75/19/563667519.db2.gz FKVACHXAOFCTFK-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000016687995 563820523 /nfs/dbraw/zinc/82/05/23/563820523.db2.gz VTVIVFSGUXIARD-UHFFFAOYSA-N 1 0 347.430 3.930 40 0 EHABRO O=C(Cc1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030551559 563909969 /nfs/dbraw/zinc/90/99/69/563909969.db2.gz CSAQOIPPVVYIEG-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO Cc1noc(C)c1C[N@H+]1Cc2cccn2C[C@@H](CCOCC2CC2)C1 ZINC000585095024 563971256 /nfs/dbraw/zinc/97/12/56/563971256.db2.gz AEJNCPQKKQAYTC-SFHVURJKSA-N 1 0 343.471 3.542 40 0 EHABRO CC[C@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109324 563971698 /nfs/dbraw/zinc/97/16/98/563971698.db2.gz IXQXMAGWGMTXHM-UDTPNQRGSA-N 1 0 328.500 3.965 40 0 EHABRO FC1(F)CC[N@H+](Cc2ccsc2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051144 563978630 /nfs/dbraw/zinc/97/86/30/563978630.db2.gz RVFRAVALJQSUKR-QGZVFWFLSA-N 1 0 349.450 3.881 40 0 EHABRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000096053865 563978721 /nfs/dbraw/zinc/97/87/21/563978721.db2.gz RYJFYUYRNDWHRB-IAGOWNOFSA-N 1 0 330.472 3.759 40 0 EHABRO CC(C)C(=O)N1CCC[C@]2(CCC[N@@H+]2CCCc2ccccc2)C1 ZINC000096214545 563980259 /nfs/dbraw/zinc/98/02/59/563980259.db2.gz IZAPSYGDPDADHG-NRFANRHFSA-N 1 0 328.500 3.732 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096221699 563980487 /nfs/dbraw/zinc/98/04/87/563980487.db2.gz XZDMJWQMZSTHJC-FQEVSTJZSA-N 1 0 338.451 3.593 40 0 EHABRO OCCO[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096241572 563980524 /nfs/dbraw/zinc/98/05/24/563980524.db2.gz IRMOVWNOAMDZFH-LJQANCHMSA-N 1 0 343.492 3.736 40 0 EHABRO CC[C@H](C)[N@@H+]1CCc2nc(-c3cccc(F)c3)nc(N(C)C)c2C1 ZINC000096254097 563980645 /nfs/dbraw/zinc/98/06/45/563980645.db2.gz BBXUTXAYQHOZGO-ZDUSSCGKSA-N 1 0 328.435 3.505 40 0 EHABRO C[NH+]1CCC(Cc2cccc(-c3cnc4ccc(Cl)cn43)n2)CC1 ZINC000585263463 563980900 /nfs/dbraw/zinc/98/09/00/563980900.db2.gz ZZBMBZCAMUEQGW-UHFFFAOYSA-N 1 0 340.858 3.934 40 0 EHABRO C[N@@H+]1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585263364 563981058 /nfs/dbraw/zinc/98/10/58/563981058.db2.gz WZKJNWKTPWFEOT-ZDUSSCGKSA-N 1 0 326.831 3.859 40 0 EHABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000156331284 564008991 /nfs/dbraw/zinc/00/89/91/564008991.db2.gz AGZNNJLUQBSMLD-CYBMUJFWSA-N 1 0 340.920 3.669 40 0 EHABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000156363226 564009020 /nfs/dbraw/zinc/00/90/20/564009020.db2.gz MBLFXKZTMMGUGQ-INIZCTEOSA-N 1 0 346.515 3.600 40 0 EHABRO COc1cc(OC)cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000006627522 564014903 /nfs/dbraw/zinc/01/49/03/564014903.db2.gz TWSJAXDYDLLEAJ-UHFFFAOYSA-N 1 0 340.423 3.552 40 0 EHABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000008474305 564016225 /nfs/dbraw/zinc/01/62/25/564016225.db2.gz IVQREKFNIFWZIY-UHFFFAOYSA-N 1 0 335.831 3.698 40 0 EHABRO CSc1ccc(CN2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000224080889 564041616 /nfs/dbraw/zinc/04/16/16/564041616.db2.gz VZRFWQOUJLHFRJ-IPMKNSEASA-N 1 0 328.525 3.738 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)CCCC2 ZINC000225632172 564048705 /nfs/dbraw/zinc/04/87/05/564048705.db2.gz RIVAEJHJRCBLOX-HXUWFJFHSA-N 1 0 328.500 3.950 40 0 EHABRO CCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225647687 564048972 /nfs/dbraw/zinc/04/89/72/564048972.db2.gz NVWDNTXEUHWDMQ-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225692530 564049424 /nfs/dbraw/zinc/04/94/24/564049424.db2.gz DNRPWIGSCCJOIU-FQEVSTJZSA-N 1 0 348.487 3.695 40 0 EHABRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc(C(F)F)nc1 ZINC000658030176 564052444 /nfs/dbraw/zinc/05/24/44/564052444.db2.gz PEYCGGXAVUVGHL-XGWLTEMNSA-N 1 0 333.382 3.985 40 0 EHABRO Cc1cnc(Nc2cccc(C[C@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)n2)s1 ZINC000585263224 564052753 /nfs/dbraw/zinc/05/27/53/564052753.db2.gz PZFCRKBARLPVNA-IIAWOOMASA-N 1 0 328.485 3.768 40 0 EHABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)CCc2cccs2)ccn1 ZINC000257308731 564055215 /nfs/dbraw/zinc/05/52/15/564055215.db2.gz TXWZPEJFBKQRMD-SFHVURJKSA-N 1 0 343.496 3.501 40 0 EHABRO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257338484 564055719 /nfs/dbraw/zinc/05/57/19/564055719.db2.gz YXQAUFNVIJQGNA-GOSISDBHSA-N 1 0 347.466 3.565 40 0 EHABRO CC1(C)CC(N2C(=O)c3cccc4cccc(c43)C2=O)CC(C)(C)[NH2+]1 ZINC000005523115 564111757 /nfs/dbraw/zinc/11/17/57/564111757.db2.gz KHUFGOWVNWCBBY-UHFFFAOYSA-N 1 0 336.435 3.745 40 0 EHABRO O=C1OC[C@@H]2CCN(Cc3ccc(F)cc3)Cc3ccc(F)cc3N12 ZINC000225484416 564135180 /nfs/dbraw/zinc/13/51/80/564135180.db2.gz IUWMQRKKKVGIPB-KRWDZBQOSA-N 1 0 344.361 3.696 40 0 biogenic,in-vitro EHABRO COc1ccc2c(c1)C[N@@H+](CC1CCCCC1)CC[C@H]1COC(=O)N21 ZINC000225491949 564135320 /nfs/dbraw/zinc/13/53/20/564135320.db2.gz UHPBULHUBQQURZ-KRWDZBQOSA-N 1 0 344.455 3.806 40 0 biogenic,in-vitro EHABRO CN(C)[C@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C)C ZINC000019366084 564177333 /nfs/dbraw/zinc/17/73/33/564177333.db2.gz YZQNFFLGIYEXMM-HNNXBMFYSA-N 1 0 327.497 3.781 40 0 in-man EHABRO OCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000004670745 210243297 /nfs/dbraw/zinc/24/32/97/210243297.db2.gz HTEMOITYBCTAJY-UHFFFAOYSA-N 1 0 326.223 3.654 40 0 EHABRO CC1(C)CC(N(Cc2ccncc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740527 213114438 /nfs/dbraw/zinc/11/44/38/213114438.db2.gz KWWBJDYJGHSRHR-UHFFFAOYSA-N 1 0 338.499 3.788 40 0 EHABRO Cc1ccccc1-c1cncc(C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000072359744 216165677 /nfs/dbraw/zinc/16/56/77/216165677.db2.gz JQHIGNJWERYFAU-UHFFFAOYSA-N 1 0 337.467 3.810 40 0 EHABRO Cc1cccc(-c2cncc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072359746 216166478 /nfs/dbraw/zinc/16/64/78/216166478.db2.gz KNCMBTPKODJUAW-SFHVURJKSA-N 1 0 337.467 3.810 40 0 EHABRO CC(C)C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000072371201 216178231 /nfs/dbraw/zinc/17/82/31/216178231.db2.gz FFLBVYXJAGIVDL-AWEZNQCLSA-N 1 0 349.425 3.755 40 0 EHABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225714514 242000661 /nfs/dbraw/zinc/00/06/61/242000661.db2.gz LFLBFALXLKGSKE-OXJNMPFZSA-N 1 0 348.487 3.551 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2cccc(Cl)c2)C1 ZINC000225726718 242004135 /nfs/dbraw/zinc/00/41/35/242004135.db2.gz KVVYJPKRDZUNQN-KBPBESRZSA-N 1 0 339.936 3.994 40 0 EHABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020460631 212133873 /nfs/dbraw/zinc/13/38/73/212133873.db2.gz KQVATVOTYRQDDI-LJQANCHMSA-N 1 0 346.515 3.699 40 0 EHABRO CC1CC[NH+](Cc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000020460455 212133388 /nfs/dbraw/zinc/13/33/88/212133388.db2.gz FPKFDSDOSGRMBN-DFQSSKMNSA-N 1 0 326.484 3.837 40 0 EHABRO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000253599262 244030600 /nfs/dbraw/zinc/03/06/00/244030600.db2.gz NCVANPLLFSUNST-INIZCTEOSA-N 1 0 346.521 3.728 40 0 EHABRO Cc1cccc(C[N@@H+]2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)n1 ZINC000257216374 244166289 /nfs/dbraw/zinc/16/62/89/244166289.db2.gz CUHSQXZBRLXMKL-ONTIZHBOSA-N 1 0 349.478 3.764 40 0 EHABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3cc4ccccc4[nH]3)CCC[C@@]21C ZINC000257273200 244381736 /nfs/dbraw/zinc/38/17/36/244381736.db2.gz NFQODASZXAUKMV-ICSRJNTNSA-N 1 0 325.456 3.647 40 0 EHABRO Cc1c[nH]c(-c2nccnc2CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000257309106 244482967 /nfs/dbraw/zinc/48/29/67/244482967.db2.gz TZOGPRFZNRZNFZ-UHFFFAOYSA-N 1 0 347.466 3.630 40 0 EHABRO CCCn1ncc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019525950 212038199 /nfs/dbraw/zinc/03/81/99/212038199.db2.gz KZPLCZNPOBYAAA-QGZVFWFLSA-N 1 0 337.471 3.857 40 0 EHABRO Clc1ccccc1CN1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019349342 212019396 /nfs/dbraw/zinc/01/93/96/212019396.db2.gz UFUDPLZBTRPJSX-SFHVURJKSA-N 1 0 342.874 3.503 40 0 EHABRO Clc1cccc(CN2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293425 212013409 /nfs/dbraw/zinc/01/34/09/212013409.db2.gz LHZBXFHAQVBEEN-GOSISDBHSA-N 1 0 342.874 3.503 40 0 EHABRO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000079438497 217224841 /nfs/dbraw/zinc/22/48/41/217224841.db2.gz FBHMIRRWYJBWRH-STQMWFEESA-N 1 0 325.478 3.583 40 0 EHABRO Cc1oc2ccc(O)cc2c1C(=O)NC(C)(C)C[N@H+]1CCC[C@@H](C)C1 ZINC000012203225 211320308 /nfs/dbraw/zinc/32/03/08/211320308.db2.gz RRUWZAVXFRQXLV-CYBMUJFWSA-N 1 0 344.455 3.687 40 0 EHABRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cnn(C)c2)cc1OC ZINC000012120262 211298286 /nfs/dbraw/zinc/29/82/86/211298286.db2.gz QXGUQNBLAUVXQO-KRWDZBQOSA-N 1 0 329.444 3.555 40 0 EHABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000009970722 211137486 /nfs/dbraw/zinc/13/74/86/211137486.db2.gz HFYVOEARROQXFB-VMBXEPDQSA-N 1 0 343.511 3.637 40 0 EHABRO CC[C@H](C)Oc1c(C)cc(-c2noc(C3CC[NH2+]CC3)n2)cc1C ZINC000095095374 218280772 /nfs/dbraw/zinc/28/07/72/218280772.db2.gz DGGBWFOZAWJGAB-AWEZNQCLSA-N 1 0 329.444 3.998 40 0 EHABRO COC(=O)C1=CCC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]12 ZINC000005048144 210374068 /nfs/dbraw/zinc/37/40/68/210374068.db2.gz DFDNBRUSLQYVNA-OMWUSAIZSA-N 1 0 336.435 3.596 40 0 EHABRO CCOCCC[NH2+]CC(=O)N1c2ccc(C)cc2[C@@H](C)CC1(C)C ZINC000035311384 535548842 /nfs/dbraw/zinc/54/88/42/535548842.db2.gz TUSALLPUDRWVNT-INIZCTEOSA-N 1 0 332.488 3.630 40 0 EHABRO COc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1C(C)C ZINC000225668150 536559441 /nfs/dbraw/zinc/55/94/41/536559441.db2.gz LXOMFUQKBQPOML-MRXNPFEDSA-N 1 0 346.515 3.979 40 0 EHABRO COc1ccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000225901881 536644871 /nfs/dbraw/zinc/64/48/71/536644871.db2.gz YIWYIKZKJZFWRH-GOSISDBHSA-N 1 0 338.451 3.570 40 0 EHABRO C[NH+](C)C[C@H](O)CN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001655429 563399507 /nfs/dbraw/zinc/39/95/07/563399507.db2.gz AAOBFUBMMARQGD-ZDUSSCGKSA-N 1 0 334.872 3.865 40 0 EHABRO Clc1ccc2c(c1)nccc2NC1CCC([NH+]2CCOCC2)CC1 ZINC000001687516 563403853 /nfs/dbraw/zinc/40/38/53/563403853.db2.gz ZXWWBKKSSKPWOW-UHFFFAOYSA-N 1 0 345.874 3.944 40 0 EHABRO CC[C@@H](OC[C@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C)c1ccccc1 ZINC000002694703 563445868 /nfs/dbraw/zinc/44/58/68/563445868.db2.gz VLYOFQGVVBQABC-RTBURBONSA-N 1 0 349.515 3.529 40 0 EHABRO Cc1ccccc1C(=O)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408607190 563495569 /nfs/dbraw/zinc/49/55/69/563495569.db2.gz JSDWQFRTTFFUIO-FQEVSTJZSA-N 1 0 334.463 3.658 40 0 EHABRO CC[C@]12CCC[NH2+][C@H]1c1c3ccccc3n(C)c1[C@H](C(=O)OC)C2 ZINC000005549413 563538415 /nfs/dbraw/zinc/53/84/15/563538415.db2.gz BOUCDMYOGZRXRQ-HEFCMCLBSA-N 1 0 326.440 3.660 40 0 EHABRO CC[C@]12CCC[NH2+][C@@H]1c1c3ccccc3n(C)c1[C@H](C(=O)OC)C2 ZINC000005549412 563538467 /nfs/dbraw/zinc/53/84/67/563538467.db2.gz BOUCDMYOGZRXRQ-LXGCGDOSSA-N 1 0 326.440 3.660 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(F)cc2F)C1 ZINC000044140374 563926235 /nfs/dbraw/zinc/92/62/35/563926235.db2.gz GESZIROMRAEPBS-CHWSQXEVSA-N 1 0 341.471 3.619 40 0 EHABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2=O)c1 ZINC000096050566 563978446 /nfs/dbraw/zinc/97/84/46/563978446.db2.gz BOIIHJOASWIURE-HXUWFJFHSA-N 1 0 340.492 3.681 40 0 EHABRO O=C1C[C@]2(CC[N@H+](Cc3ccsc3)C2)CN1c1cccc(F)c1 ZINC000096050713 563978485 /nfs/dbraw/zinc/97/84/85/563978485.db2.gz YOPVSXDZQAAMHC-SFHVURJKSA-N 1 0 330.428 3.516 40 0 EHABRO Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(C)C)C3)c1 ZINC000096071572 563979067 /nfs/dbraw/zinc/97/90/67/563979067.db2.gz BOKLOVKPGPLQEP-FQEVSTJZSA-N 1 0 329.488 3.971 40 0 EHABRO Cc1cccc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2ccncc2)C3)n1 ZINC000096109294 563979301 /nfs/dbraw/zinc/97/93/01/563979301.db2.gz QGTZPCOGEJPDQZ-CTNGQTDRSA-N 1 0 337.467 3.604 40 0 EHABRO COc1ccc(C[C@H]2C[N@H+](C)CC[C@@H]2OCc2csc(C)n2)cc1 ZINC000096217643 563980424 /nfs/dbraw/zinc/98/04/24/563980424.db2.gz HURMIBOMNYTVLI-LPHOPBHVSA-N 1 0 346.496 3.540 40 0 EHABRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000096263807 563980684 /nfs/dbraw/zinc/98/06/84/563980684.db2.gz RRQNLNRBPYDWHD-SJORKVTESA-N 1 0 335.476 3.920 40 0 EHABRO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000002556467 564013332 /nfs/dbraw/zinc/01/33/32/564013332.db2.gz FRJMDYSVLCJWQC-MRXNPFEDSA-N 1 0 343.467 3.866 40 0 in-vitro EHABRO CCOCCC[NH2+]Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000007520024 564015581 /nfs/dbraw/zinc/01/55/81/564015581.db2.gz RXBYTPIIYJYPGS-UHFFFAOYSA-N 1 0 331.412 3.640 40 0 EHABRO Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000016758574 564024683 /nfs/dbraw/zinc/02/46/83/564024683.db2.gz OTAWLNYSOMNYQC-OAQYLSRUSA-N 1 0 339.479 3.689 40 0 EHABRO Cc1ccc(C)c(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224622676 564043316 /nfs/dbraw/zinc/04/33/16/564043316.db2.gz KSIMDJURNQMNAB-UHFFFAOYSA-N 1 0 336.479 3.758 40 0 EHABRO Cc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224681058 564043446 /nfs/dbraw/zinc/04/34/46/564043446.db2.gz BWWGZIWBOINDIZ-UHFFFAOYSA-N 1 0 336.479 3.840 40 0 EHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225602050 564048237 /nfs/dbraw/zinc/04/82/37/564048237.db2.gz RIXKPOKJESAPLF-HXUWFJFHSA-N 1 0 348.487 3.551 40 0 EHABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225611100 564048351 /nfs/dbraw/zinc/04/83/51/564048351.db2.gz WPSDSTNNHJFIDU-LJQANCHMSA-N 1 0 336.476 3.551 40 0 EHABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225635900 564048758 /nfs/dbraw/zinc/04/87/58/564048758.db2.gz OOEKDCHRKRYXKC-UZLBHIALSA-N 1 0 348.487 3.551 40 0 EHABRO Oc1ccc(Br)c2ccc(CC[NH+]3CCCCC3)nc12 ZINC000059474709 564050776 /nfs/dbraw/zinc/05/07/76/564050776.db2.gz MFBVEJYTTMUKBI-UHFFFAOYSA-N 1 0 335.245 3.731 40 0 EHABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812479 564052628 /nfs/dbraw/zinc/05/26/28/564052628.db2.gz CMVYJQCFMPTZNL-MRXNPFEDSA-N 1 0 348.487 3.693 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]21 ZINC000248120011 564052959 /nfs/dbraw/zinc/05/29/59/564052959.db2.gz MXPXKLFLAOYKER-YZGWKJHDSA-N 1 0 338.451 3.652 40 0 EHABRO Cc1ncc(-c2cc([C@H]3CCC[N@@H+]3Cc3cncs3)ccn2)n1C ZINC000257293205 564054934 /nfs/dbraw/zinc/05/49/34/564054934.db2.gz QONXJDGIZNLQNT-QGZVFWFLSA-N 1 0 339.468 3.584 40 0 EHABRO CCNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328970884 564071073 /nfs/dbraw/zinc/07/10/73/564071073.db2.gz DNHUXEHFHPBCNF-AWEZNQCLSA-N 1 0 340.471 3.648 40 0 EHABRO CC[C@@H](C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C)[nH+]1 ZINC000328975451 564071165 /nfs/dbraw/zinc/07/11/65/564071165.db2.gz FKOMKYHTCLJQNL-ZIAGYGMSSA-N 1 0 340.471 3.611 40 0 EHABRO CC[C@@]1(C)C[C@](CC(=O)O[C@H](C)C[NH+](C)C)(c2ccccc2)CCO1 ZINC000101113545 219116457 /nfs/dbraw/zinc/11/64/57/219116457.db2.gz BQVOKFAZPLBWCA-QMMLZNLJSA-N 1 0 347.499 3.787 40 0 EHABRO COc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000039772929 213241781 /nfs/dbraw/zinc/24/17/81/213241781.db2.gz SOUVKCXINQNLFS-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530350 213153996 /nfs/dbraw/zinc/15/39/96/213153996.db2.gz PSKUZPOGYZMETL-YDETXVTLSA-N 1 0 325.537 3.803 40 0 EHABRO CC1(C)CC(N(Cc2ccoc2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000036740552 213116330 /nfs/dbraw/zinc/11/63/30/213116330.db2.gz UERRXIPSTLAINH-UHFFFAOYSA-N 1 0 327.472 3.986 40 0 EHABRO O=C(OCc1ccccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072202910 216069707 /nfs/dbraw/zinc/06/97/07/216069707.db2.gz RDJSCQRMOKEUJV-MRXNPFEDSA-N 1 0 345.389 3.920 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@H]2c2ccc(Nc3cnccn3)cn2)cc1 ZINC000072352991 216161630 /nfs/dbraw/zinc/16/16/30/216161630.db2.gz DWLCWFRASQSTAD-FQEVSTJZSA-N 1 0 345.450 3.995 40 0 EHABRO C[C@@H]([NH2+][C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 ZINC000073257555 216370517 /nfs/dbraw/zinc/37/05/17/216370517.db2.gz QPOBRHWTGGAIQD-ZBGXTSEQSA-N 1 0 326.484 3.798 40 0 EHABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000022529498 212306122 /nfs/dbraw/zinc/30/61/22/212306122.db2.gz UGSHBJFKUCTFFG-LJQANCHMSA-N 1 0 346.515 3.699 40 0 EHABRO COc1ccc(Cl)cc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000022076426 212276676 /nfs/dbraw/zinc/27/66/76/212276676.db2.gz BXERKMUYAPUJCL-UHFFFAOYSA-N 1 0 335.831 3.698 40 0 EHABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Cl)cc2)C1 ZINC000225735511 242010267 /nfs/dbraw/zinc/01/02/67/242010267.db2.gz YQLXXKSEFMVGEC-CYBMUJFWSA-N 1 0 325.909 3.748 40 0 EHABRO Cc1cc2[nH]c(-c3cc(Br)c[n+](C)c3)nc2cc1Cl ZINC000226774370 242115535 /nfs/dbraw/zinc/11/55/35/242115535.db2.gz JLZBIWJQGUBTOG-UHFFFAOYSA-N 1 0 337.628 3.779 40 0 EHABRO [NH3+][C@H](c1ccc(F)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000255189730 244048365 /nfs/dbraw/zinc/04/83/65/244048365.db2.gz RRHNVMWEAARHCT-LJQANCHMSA-N 1 0 342.414 3.874 40 0 EHABRO O=C(C1CCCC1)N1CCC[C@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257201856 244120288 /nfs/dbraw/zinc/12/02/88/244120288.db2.gz AJIAFZLLHXNWHY-IBGZPJMESA-N 1 0 327.472 3.531 40 0 EHABRO CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)[N@@H+]2Cc1ccccn1 ZINC000257244151 244253900 /nfs/dbraw/zinc/25/39/00/244253900.db2.gz IKDDRKHXKKQZON-FDFHNCONSA-N 1 0 349.478 3.798 40 0 EHABRO COc1ccc(-c2cc([C@H]3CC[N@@H+](C4CCSCC4)C3)[nH]n2)cc1 ZINC000019557925 212043117 /nfs/dbraw/zinc/04/31/17/212043117.db2.gz ZIIUDTLHYFAWMY-HNNXBMFYSA-N 1 0 343.496 3.770 40 0 EHABRO CC[N@@H+]1CCC[C@H](n2c(=O)c3c(C)c(C)sc3nc2C(C)C)C1 ZINC000019527114 212038609 /nfs/dbraw/zinc/03/86/09/212038609.db2.gz WHDLJLDCLHQHHQ-AWEZNQCLSA-N 1 0 333.501 3.855 40 0 EHABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000019348840 212019420 /nfs/dbraw/zinc/01/94/20/212019420.db2.gz OABYAYOXLKKKQK-ZDUSSCGKSA-N 1 0 329.400 3.927 40 0 EHABRO OC1(c2ccc(F)cc2)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000012363562 211356082 /nfs/dbraw/zinc/35/60/82/211356082.db2.gz YYQQNGMRTHCOOW-UHFFFAOYSA-N 1 0 336.410 3.858 40 0 EHABRO CCC[NH+]1CCC(CNC(=O)c2cccc3c(C)c(C)[nH]c32)CC1 ZINC000012201841 211319147 /nfs/dbraw/zinc/31/91/47/211319147.db2.gz WSFUARDMIBYZKG-UHFFFAOYSA-N 1 0 327.472 3.637 40 0 EHABRO Fc1ccc(F)c(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)c1 ZINC000012186669 211314424 /nfs/dbraw/zinc/31/44/24/211314424.db2.gz AFWUEJNWALTOTB-UHFFFAOYSA-N 1 0 328.366 3.616 40 0 EHABRO Cc1ccc(CN(Cc2cncn2C)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116747 211295857 /nfs/dbraw/zinc/29/58/57/211295857.db2.gz YOBBTSMKPNDGDZ-UHFFFAOYSA-N 1 0 344.503 3.633 40 0 EHABRO C[C@H]([NH2+]C[C@H](O)COC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010434689 211172296 /nfs/dbraw/zinc/17/22/96/211172296.db2.gz ZVPLSJPATOUUND-UJFHANGKSA-N 1 0 329.484 3.684 40 0 EHABRO COCC[NH2+][C@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 ZINC000006006913 210577040 /nfs/dbraw/zinc/57/70/40/210577040.db2.gz ODXRSRHKEHVMQZ-AWEZNQCLSA-N 1 0 334.510 3.872 40 0 EHABRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063266 257862503 /nfs/dbraw/zinc/86/25/03/257862503.db2.gz WTYPZKFVZLLTLH-UHFFFAOYSA-N 1 0 342.870 3.868 40 0 EHABRO CC(=O)N1CC[N@H+](Cc2cccc3cccnc32)C[C@@H]1c1ccccc1 ZINC000257246525 534794626 /nfs/dbraw/zinc/79/46/26/534794626.db2.gz IUMJHEDISPYAIW-OAQYLSRUSA-N 1 0 345.446 3.640 40 0 EHABRO CCOc1cccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225729653 535469381 /nfs/dbraw/zinc/46/93/81/535469381.db2.gz ZATFVQHRZMIHSS-HZPDHXFCSA-N 1 0 349.544 3.740 40 0 EHABRO Cc1cc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc(C)c1Cl ZINC000001191784 563378368 /nfs/dbraw/zinc/37/83/68/563378368.db2.gz DRPZDBYGBLRKOR-JYJNAYRXSA-N 1 0 325.880 3.959 40 0 EHABRO CCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000008253206 563624357 /nfs/dbraw/zinc/62/43/57/563624357.db2.gz HBJVTODRBQHBJL-UHFFFAOYSA-N 1 0 329.440 3.790 40 0 EHABRO CCOc1cc(CNCCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000008254620 563625155 /nfs/dbraw/zinc/62/51/55/563625155.db2.gz HCQCSYAONAYBRW-UHFFFAOYSA-N 1 0 342.483 3.706 40 0 EHABRO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000008326395 563626936 /nfs/dbraw/zinc/62/69/36/563626936.db2.gz KXTZJQLMZASCQK-INIZCTEOSA-N 1 0 349.858 3.788 40 0 EHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 ZINC000044932115 563928425 /nfs/dbraw/zinc/92/84/25/563928425.db2.gz DAAJWWJAWBMEKC-INIZCTEOSA-N 1 0 340.442 3.988 40 0 EHABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+](CC1CC1)CC2 ZINC000096052537 563978700 /nfs/dbraw/zinc/97/87/00/563978700.db2.gz CROSNHNQQBBYKL-UHFFFAOYSA-N 1 0 346.474 3.977 40 0 EHABRO Fc1cccc(N2CCCC3(CCN(CC[NH+]4CCCC4)CC3)C2)c1 ZINC000096071863 563979061 /nfs/dbraw/zinc/97/90/61/563979061.db2.gz KKCNSTPUTAYVHF-UHFFFAOYSA-N 1 0 345.506 3.604 40 0 EHABRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1=O ZINC000096100299 563979165 /nfs/dbraw/zinc/97/91/65/563979165.db2.gz FUJSMPLGYNDQRG-FQEVSTJZSA-N 1 0 340.492 3.894 40 0 EHABRO Cc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585290026 563982012 /nfs/dbraw/zinc/98/20/12/563982012.db2.gz ZDKOMFBSYNOVSQ-KSEOMHKRSA-N 1 0 339.479 3.797 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000000568362 564012792 /nfs/dbraw/zinc/01/27/92/564012792.db2.gz XKUSABDTQLRAFH-UHFFFAOYSA-N 1 0 326.396 3.509 40 0 EHABRO Cc1cc(C)c([C@@H]2SC(=[NH2+])N[C@H]2[C@@H](O)c2ccccc2)c(C)c1 ZINC000015634585 564024288 /nfs/dbraw/zinc/02/42/88/564024288.db2.gz GUUSIDHEGVWPIO-BZSNNMDCSA-N 1 0 326.465 3.817 40 0 EHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1 ZINC000224643283 564043387 /nfs/dbraw/zinc/04/33/87/564043387.db2.gz LUMCZNUPLTWBFW-UHFFFAOYSA-N 1 0 326.415 3.742 40 0 EHABRO CC(C)Oc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260735400 564052450 /nfs/dbraw/zinc/05/24/50/564052450.db2.gz HJDMYMYSIURBQN-INIZCTEOSA-N 1 0 349.544 3.882 40 0 EHABRO COCC[C@H]1CCOC12CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC000247894652 564052810 /nfs/dbraw/zinc/05/28/10/564052810.db2.gz UMNZXQGSALBISX-KRWDZBQOSA-N 1 0 328.456 3.576 40 0 EHABRO O=C(CCc1ccccc1)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2CC1CC1 ZINC000257279405 564054629 /nfs/dbraw/zinc/05/46/29/564054629.db2.gz OGKASZYYQKRFSM-LEWJYISDSA-N 1 0 340.511 3.732 40 0 EHABRO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1nc(C)cc(-c2ncc[nH]2)n1 ZINC000257285190 564054691 /nfs/dbraw/zinc/05/46/91/564054691.db2.gz PGACOXLTAONUNL-OAHLLOKOSA-N 1 0 339.468 3.882 40 0 EHABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000257305525 564055140 /nfs/dbraw/zinc/05/51/40/564055140.db2.gz SQKQPHVAHHEXTM-LJQANCHMSA-N 1 0 346.438 3.737 40 0 EHABRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(C(C)(C)C)ccc2O)cc1 ZINC000257316462 564055344 /nfs/dbraw/zinc/05/53/44/564055344.db2.gz VFRSZJDOKTVUOM-UHFFFAOYSA-N 1 0 340.467 3.681 40 0 EHABRO c1csc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306139514 564062314 /nfs/dbraw/zinc/06/23/14/564062314.db2.gz SZFJIVDQMYWURB-IRXDYDNUSA-N 1 0 335.476 3.916 40 0 EHABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000010276940 564127701 /nfs/dbraw/zinc/12/77/01/564127701.db2.gz SMFREQCJCACYTD-AWEZNQCLSA-N 1 0 340.920 3.813 40 0 EHABRO C[C@@H](CCC[NH+]1CCOCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000001712473 564130240 /nfs/dbraw/zinc/13/02/40/564130240.db2.gz JMIGWKCOYPUJEP-AWEZNQCLSA-N 1 0 333.863 3.801 40 0 EHABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000004019142 210101974 /nfs/dbraw/zinc/10/19/74/210101974.db2.gz OTTUUPAQKHWADJ-KVJIRVJXSA-N 1 0 345.527 3.883 40 0 EHABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)nc2c1 ZINC000035446760 213028720 /nfs/dbraw/zinc/02/87/20/213028720.db2.gz SSLOCLBGNAPVHG-AWEZNQCLSA-N 1 0 325.387 3.700 40 0 biogenic,in-vitro EHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(OC)ccc4[nH]3)C2)cc1 ZINC000035446730 213029268 /nfs/dbraw/zinc/02/92/68/213029268.db2.gz BSTCSZGDUUMUMN-HNNXBMFYSA-N 1 0 337.423 3.570 40 0 biogenic,in-vitro EHABRO Cc1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072379088 216180927 /nfs/dbraw/zinc/18/09/27/216180927.db2.gz XZOVMJGYHPFTBQ-IBGZPJMESA-N 1 0 332.451 3.955 40 0 EHABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389946 216188929 /nfs/dbraw/zinc/18/89/29/216188929.db2.gz DSOYQMFWYPKGQE-MRXNPFEDSA-N 1 0 338.386 3.650 40 0 EHABRO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1cccc(Cl)c1 ZINC000022074924 212277058 /nfs/dbraw/zinc/27/70/58/212277058.db2.gz YJKDZAPPMZTYAM-UHFFFAOYSA-N 1 0 348.874 3.579 40 0 EHABRO CC[NH+]1CCN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)CC1 ZINC000216840449 241213711 /nfs/dbraw/zinc/21/37/11/241213711.db2.gz GWUWNUNBEHJCHF-UHFFFAOYSA-N 1 0 339.414 3.771 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCC2=CCCCC2)CC1 ZINC000224526136 241764789 /nfs/dbraw/zinc/76/47/89/241764789.db2.gz KPZIYWBPYNPVQA-UHFFFAOYSA-N 1 0 326.484 3.824 40 0 EHABRO CCC[n+]1cc(Br)cc(-c2nc3cc(C)ccc3[nH]2)c1 ZINC000226774338 242115217 /nfs/dbraw/zinc/11/52/17/242115217.db2.gz JOQFORDHMFLHDM-UHFFFAOYSA-N 1 0 331.237 3.998 40 0 EHABRO c1cc2ccc(C[C@H]3COCC[N@H+](Cc4cncs4)C3)cc2o1 ZINC000257245201 244255345 /nfs/dbraw/zinc/25/53/45/244255345.db2.gz IOMNUMVDWWPYGK-OAHLLOKOSA-N 1 0 328.437 3.580 40 0 EHABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257247578 244261763 /nfs/dbraw/zinc/26/17/63/244261763.db2.gz IZOHKKCNWLSNAN-GOSISDBHSA-N 1 0 337.402 3.651 40 0 EHABRO Cc1csc(-c2cc(C)nc(CC3CC[NH+](C(C)C)CC3)n2)n1 ZINC000257270742 244377025 /nfs/dbraw/zinc/37/70/25/244377025.db2.gz MVMJHAOZJRHAQN-UHFFFAOYSA-N 1 0 330.501 3.880 40 0 EHABRO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)ccn1 ZINC000257275681 244391828 /nfs/dbraw/zinc/39/18/28/244391828.db2.gz NQLOCIRZCJTFQW-KRWDZBQOSA-N 1 0 348.454 3.631 40 0 EHABRO c1cc2nccc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)n2n1 ZINC000257296252 244449974 /nfs/dbraw/zinc/44/99/74/244449974.db2.gz RBXGKJVGMZHBOS-UHFFFAOYSA-N 1 0 343.434 3.657 40 0 EHABRO c1ncn(CCC[NH+]2CCCCC2)c1-c1cnn(-c2ccccc2)c1 ZINC000019719608 212056767 /nfs/dbraw/zinc/05/67/67/212056767.db2.gz IODNPQYQAIAQDU-UHFFFAOYSA-N 1 0 335.455 3.612 40 0 EHABRO CCOc1ccc(C[NH+]2CCC(c3cc4nccnc4[nH]3)CC2)cc1 ZINC000019533210 212039667 /nfs/dbraw/zinc/03/96/67/212039667.db2.gz LFBDXXMXSWQYQS-UHFFFAOYSA-N 1 0 336.439 3.736 40 0 EHABRO O=C(NC1CC[NH+](C[C@H](c2ccccc2)C2CCCC2)CC1)C1CC1 ZINC000019369192 212023118 /nfs/dbraw/zinc/02/31/18/212023118.db2.gz MYDFMZTYPKODNB-OAQYLSRUSA-N 1 0 340.511 3.951 40 0 EHABRO CC(C)(C[NH2+]C(C)(C)CO)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000019368997 212022698 /nfs/dbraw/zinc/02/26/98/212022698.db2.gz OBGGOLINWSHCGU-FQEVSTJZSA-N 1 0 340.511 3.699 40 0 EHABRO Fc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019293789 212013459 /nfs/dbraw/zinc/01/34/59/212013459.db2.gz HSTIACCKKDHAAS-ZDUSSCGKSA-N 1 0 329.400 3.927 40 0 EHABRO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](CC2CCCCC2)C3)nc1 ZINC000019215701 212005704 /nfs/dbraw/zinc/00/57/04/212005704.db2.gz YOKYQZCFZUCMKH-PMSBKCLSSA-N 1 0 328.500 3.890 40 0 EHABRO c1ccc(CC2CC[NH+](Cc3ccnc(-c4ccncc4)n3)CC2)cc1 ZINC000012252119 211330530 /nfs/dbraw/zinc/33/05/30/211330530.db2.gz IQFIDITUARHFOQ-UHFFFAOYSA-N 1 0 344.462 3.993 40 0 EHABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CC[NH2+]C3)nn21 ZINC000012257381 211329852 /nfs/dbraw/zinc/32/98/52/211329852.db2.gz LDYYLOFRDFTTPA-SECBINFHSA-N 1 0 338.358 3.554 40 0 EHABRO O=C1NCCCC12CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012227891 211325228 /nfs/dbraw/zinc/32/52/28/211325228.db2.gz VEUDWHAGQQVXBQ-UHFFFAOYSA-N 1 0 334.463 3.846 40 0 EHABRO CCn1c(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)nc2ccccc21 ZINC000012128401 211299766 /nfs/dbraw/zinc/29/97/66/211299766.db2.gz CTRGZHFZICDFAY-DOTOQJQBSA-N 1 0 338.455 3.854 40 0 EHABRO CCCC[NH+]1CCC(c2cc(N)n3nc(C(C)(C)C)cc3n2)CC1 ZINC000012120848 211299334 /nfs/dbraw/zinc/29/93/34/211299334.db2.gz CBHLJDDIOFWJKD-UHFFFAOYSA-N 1 0 329.492 3.589 40 0 EHABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000010279837 211159971 /nfs/dbraw/zinc/15/99/71/211159971.db2.gz GQIZWZPNCJHQGS-KRWDZBQOSA-N 1 0 346.515 3.744 40 0 EHABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)nc1 ZINC000257231815 536020092 /nfs/dbraw/zinc/02/00/92/536020092.db2.gz GIHJJNWRAOUXDD-OAQYLSRUSA-N 1 0 349.478 3.609 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)C1CCCCC1 ZINC000001593605 563395084 /nfs/dbraw/zinc/39/50/84/563395084.db2.gz XPKGNQQIWJCGHZ-UXHICEINSA-N 1 0 347.499 3.596 40 0 EHABRO CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2CC1CC1 ZINC000019017593 563853352 /nfs/dbraw/zinc/85/33/52/563853352.db2.gz WYZDDWQNVFWLRM-NJDAHSKKSA-N 1 0 326.484 3.656 40 0 EHABRO CCc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030755385 563910556 /nfs/dbraw/zinc/91/05/56/563910556.db2.gz YRJJWKDSGMBZPK-KZNAEPCWSA-N 1 0 346.515 3.501 40 0 EHABRO COc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000033542065 563950135 /nfs/dbraw/zinc/95/01/35/563950135.db2.gz SAAKIWVYERLGFF-BRWVUGGUSA-N 1 0 349.515 3.710 40 0 EHABRO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)c1 ZINC000585105480 563971498 /nfs/dbraw/zinc/97/14/98/563971498.db2.gz XNALOHWDHQCIQV-LJQANCHMSA-N 1 0 340.492 3.667 40 0 EHABRO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@H+]4CC(C)C)C3)CC2)cc1 ZINC000585102393 563971504 /nfs/dbraw/zinc/97/15/04/563971504.db2.gz ZEGWHMCVKPYCBD-OAQYLSRUSA-N 1 0 340.511 3.750 40 0 EHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)cc1 ZINC000585104075 563971541 /nfs/dbraw/zinc/97/15/41/563971541.db2.gz FWMMABPWHAHUKE-LJQANCHMSA-N 1 0 340.492 3.667 40 0 EHABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)c1 ZINC000585105329 563971550 /nfs/dbraw/zinc/97/15/50/563971550.db2.gz UCSSRXXCEXERSO-QGZVFWFLSA-N 1 0 342.439 3.515 40 0 EHABRO c1cncc(OCC[C@H]2CCOC23CC[NH+](C2CCCC2)CC3)c1 ZINC000585104929 563971577 /nfs/dbraw/zinc/97/15/77/563971577.db2.gz MMCNDCWWQLSJDG-KRWDZBQOSA-N 1 0 330.472 3.664 40 0 EHABRO Cc1nc([C@H]2C[C@H]3C[N@H+](Cc4cccnc4)CC[C@@H]3O2)sc1C ZINC000096045997 563977961 /nfs/dbraw/zinc/97/79/61/563977961.db2.gz BMZOORIZFKSTAQ-YESZJQIVSA-N 1 0 329.469 3.507 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)s1 ZINC000096046950 563978180 /nfs/dbraw/zinc/97/81/80/563978180.db2.gz LYCVYMUENSUMOH-HXUWFJFHSA-N 1 0 341.524 3.940 40 0 EHABRO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096047605 563978271 /nfs/dbraw/zinc/97/82/71/563978271.db2.gz AYISQKGCRWQKOS-LPHOPBHVSA-N 1 0 344.480 3.602 40 0 EHABRO O=C1C[C@]2(CC[N@H+](Cc3cccs3)C2)CN1c1cccc(F)c1 ZINC000096050711 563978488 /nfs/dbraw/zinc/97/84/88/563978488.db2.gz UOOZOFXDBYSZMD-SFHVURJKSA-N 1 0 330.428 3.516 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1cccs1)CC2 ZINC000096051594 563978658 /nfs/dbraw/zinc/97/86/58/563978658.db2.gz LJQCLSCYKBBEBX-QGZVFWFLSA-N 1 0 344.480 3.858 40 0 EHABRO Fc1ccc(C[NH+]2C[C@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053872 563978718 /nfs/dbraw/zinc/97/87/18/563978718.db2.gz PNYZITIRFMNGIG-ROUUACIJSA-N 1 0 328.406 3.529 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)C4CC=CC4)C3)CC2)cc1 ZINC000096157631 563979760 /nfs/dbraw/zinc/97/97/60/563979760.db2.gz SKVFKMNNQFXUTN-UHFFFAOYSA-N 1 0 338.495 3.776 40 0 EHABRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)cc1 ZINC000585289189 563981977 /nfs/dbraw/zinc/98/19/77/563981977.db2.gz NOEMCPWHSOISKM-PWRODBHTSA-N 1 0 325.452 3.754 40 0 EHABRO COc1cccc(OC[C@@H](O)Cn2c3ccccc3nc2C(C)C)c1 ZINC000000808013 563999263 /nfs/dbraw/zinc/99/92/63/563999263.db2.gz OLDPNKGSBPLIDB-HNNXBMFYSA-N 1 0 340.423 3.608 40 0 EHABRO CCOc1cc(CNCCC[NH+](C)C)ccc1OCc1cccs1 ZINC000007523781 564015613 /nfs/dbraw/zinc/01/56/13/564015613.db2.gz VSAAOVCFLCOSCO-UHFFFAOYSA-N 1 0 348.512 3.767 40 0 EHABRO Cc1ccc(OCCCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111318 564017100 /nfs/dbraw/zinc/01/71/00/564017100.db2.gz VAIARBPJTSAKGZ-UHFFFAOYSA-N 1 0 332.488 3.536 40 0 EHABRO c1ccc(CCC[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169673 564032625 /nfs/dbraw/zinc/03/26/25/564032625.db2.gz MVAOSLBKWSQSED-SFHVURJKSA-N 1 0 334.423 3.554 40 0 biogenic,in-vitro EHABRO CCOc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000225477552 564047129 /nfs/dbraw/zinc/04/71/29/564047129.db2.gz RTUNIVDRNLHKMD-UHFFFAOYSA-N 1 0 338.879 3.591 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)cc1 ZINC000225580916 564048025 /nfs/dbraw/zinc/04/80/25/564048025.db2.gz VULUDCVZCRWCDI-INIZCTEOSA-N 1 0 335.517 3.636 40 0 EHABRO CC(C)n1nccc1-c1cnc(C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257280025 564054674 /nfs/dbraw/zinc/05/46/74/564054674.db2.gz OJDVPEOPCJZNKI-INIZCTEOSA-N 1 0 327.476 3.584 40 0 EHABRO Cc1[nH+]cc2cncc(C3CCN(C(=O)CC4CCCCC4)CC3)n21 ZINC000257308349 564055178 /nfs/dbraw/zinc/05/51/78/564055178.db2.gz TWKMSHTVYBZDDF-UHFFFAOYSA-N 1 0 340.471 3.714 40 0 EHABRO c1coc(C[N@@H+]2CC[C@]3(CCn4c(-c5cccs5)cnc43)C2)c1 ZINC000306132141 564062186 /nfs/dbraw/zinc/06/21/86/564062186.db2.gz KZZSDZCQYUTEDL-SFHVURJKSA-N 1 0 325.437 3.752 40 0 EHABRO CCNc1cc(N2CCc3cc(Br)ccc3C2)nc(C)[nH+]1 ZINC000328964324 564070976 /nfs/dbraw/zinc/07/09/76/564070976.db2.gz BURAJRMQUBHYOY-UHFFFAOYSA-N 1 0 347.260 3.542 40 0 EHABRO COc1cc2[nH+]ccc(Nc3ccc(NC(C)=O)cc3)c2cc1OC ZINC000065005288 564099516 /nfs/dbraw/zinc/09/95/16/564099516.db2.gz DLSJQJVEQUMQNC-UHFFFAOYSA-N 1 0 337.379 3.954 40 0 EHABRO CC(C)c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006365140 564112338 /nfs/dbraw/zinc/11/23/38/564112338.db2.gz ZEFIOGRPHXWQOO-HXUWFJFHSA-N 1 0 325.452 3.608 40 0 EHABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000253601873 564124707 /nfs/dbraw/zinc/12/47/07/564124707.db2.gz GBOVVLCBJFNDBS-SJLPKXTDSA-N 1 0 337.467 3.854 40 0 EHABRO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCCC[C@H]32)cc1 ZINC000218838014 564161018 /nfs/dbraw/zinc/16/10/18/564161018.db2.gz KHCKVAHSJRUZNI-MXEMCNAFSA-N 1 0 328.500 3.731 40 0 EHABRO O=C(Nc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000004489283 210202629 /nfs/dbraw/zinc/20/26/29/210202629.db2.gz PSHPQVUNDYERMX-ZNXRZULTSA-N 1 0 331.435 3.885 40 0 EHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000067802674 215214746 /nfs/dbraw/zinc/21/47/46/215214746.db2.gz IAOUAYHGTNQDBC-UHFFFAOYSA-N 1 0 342.842 3.968 40 0 EHABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038834240 213227578 /nfs/dbraw/zinc/22/75/78/213227578.db2.gz HQBKRURKZWDYEG-INIZCTEOSA-N 1 0 342.414 3.685 40 0 EHABRO COC(=O)COc1c(Cl)cc(C[NH2+]C2CCCC2)cc1Cl ZINC000036611723 213100557 /nfs/dbraw/zinc/10/05/57/213100557.db2.gz JIUQTKCQAPGJRV-UHFFFAOYSA-N 1 0 332.227 3.577 40 0 EHABRO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072350486 216162421 /nfs/dbraw/zinc/16/24/21/216162421.db2.gz NEBSZSYDLJGHRH-GOSISDBHSA-N 1 0 347.466 3.604 40 0 EHABRO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000072369725 216177619 /nfs/dbraw/zinc/17/76/19/216177619.db2.gz SVLBJZFHIPMQFX-CQSZACIVSA-N 1 0 339.468 3.535 40 0 EHABRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389989 216189721 /nfs/dbraw/zinc/18/97/21/216189721.db2.gz OMDMNVPFUIXNPX-SFHVURJKSA-N 1 0 334.423 3.820 40 0 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CC(C)C[N@@H+]1CC[C@@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585101785 563971459 /nfs/dbraw/zinc/97/14/59/563971459.db2.gz GGTIMJSCWDGDGO-HXUWFJFHSA-N 1 0 348.918 3.996 40 0 EHABRO C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585102331 563971536 /nfs/dbraw/zinc/97/15/36/563971536.db2.gz XEBIHTVEMVHUAG-NRFANRHFSA-N 1 0 336.435 3.789 40 0 EHABRO CC(C)OC(=O)NC1CC2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000585104390 563971581 /nfs/dbraw/zinc/97/15/81/563971581.db2.gz ZOMOOHZJIFHQSY-UHFFFAOYSA-N 1 0 330.472 3.608 40 0 EHABRO O=C1C[C@H]2[C@H](CC[N@@H+]2CC2CCCCC2)N1Cc1cccc(F)c1F ZINC000585108988 563971688 /nfs/dbraw/zinc/97/16/88/563971688.db2.gz KYPRBZINUCMRPU-ROUUACIJSA-N 1 0 348.437 3.720 40 0 EHABRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096048737 563978322 /nfs/dbraw/zinc/97/83/22/563978322.db2.gz RQYGAIHPDANFEQ-QGZVFWFLSA-N 1 0 332.494 3.829 40 0 EHABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000096055149 563978713 /nfs/dbraw/zinc/97/87/13/563978713.db2.gz 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O=C(OCc1ccccc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000575447509 564079776 /nfs/dbraw/zinc/07/97/76/564079776.db2.gz AUGRQMMVNGVQLT-VQTJNVASSA-N 1 0 336.435 3.530 40 0 EHABRO CC(C)(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000006364113 564112323 /nfs/dbraw/zinc/11/23/23/564112323.db2.gz HSGATDKPAYOOJN-IBGZPJMESA-N 1 0 339.479 3.782 40 0 EHABRO O=C(c1cccc(Cl)c1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238871340 564120116 /nfs/dbraw/zinc/12/01/16/564120116.db2.gz MZEMRADOUXMHGI-LJQANCHMSA-N 1 0 340.854 3.613 40 0 EHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)CCCc1ccc(F)cc1 ZINC000019712488 564128069 /nfs/dbraw/zinc/12/80/69/564128069.db2.gz KILXZVDOJNVMRU-RBUKOAKNSA-N 1 0 332.463 3.624 40 0 EHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccnc2ccccc12 ZINC000019712164 564128072 /nfs/dbraw/zinc/12/80/72/564128072.db2.gz ZXGXSGPLRCHTEB-RTWAWAEBSA-N 1 0 337.467 3.600 40 0 EHABRO CCCc1cc(OC)c(CC[NH2+]Cc2ccccc2OC)cc1OC ZINC000299817276 564150839 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CNC(=O)CCc1cc(C)nc(C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000072360428 216166941 /nfs/dbraw/zinc/16/69/41/216166941.db2.gz FASUEXPQVBTXFN-UHFFFAOYSA-N 1 0 343.515 3.581 40 0 EHABRO Cn1cc([C@@H]2CN(Cc3ccsc3)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000072395143 216192500 /nfs/dbraw/zinc/19/25/00/216192500.db2.gz GWCRFOKIDFCAKX-AZUAARDMSA-N 1 0 339.508 3.769 40 0 EHABRO C[C@H]([NH2+][C@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 ZINC000073257556 216370200 /nfs/dbraw/zinc/37/02/00/216370200.db2.gz QPOBRHWTGGAIQD-JXBCHCHZSA-N 1 0 326.484 3.798 40 0 EHABRO C[C@H]1Cc2cc(CN(CC[NH+](C)C)Cc3cccs3)ccc2O1 ZINC000023247882 212362843 /nfs/dbraw/zinc/36/28/43/212362843.db2.gz RPBRCTPCPSCORE-HNNXBMFYSA-N 1 0 330.497 3.635 40 0 EHABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225714452 242000761 /nfs/dbraw/zinc/00/07/61/242000761.db2.gz LFLBFALXLKGSKE-OXQOHEQNSA-N 1 0 348.487 3.551 40 0 EHABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Cl)cc2)C1 ZINC000225735537 242010422 /nfs/dbraw/zinc/01/04/22/242010422.db2.gz YQLXXKSEFMVGEC-ZDUSSCGKSA-N 1 0 325.909 3.748 40 0 EHABRO Cc1cc(N2CCc3ccccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000244175247 243039407 /nfs/dbraw/zinc/03/94/07/243039407.db2.gz VFWUOACVJUAVEH-UHFFFAOYSA-N 1 0 330.435 3.960 40 0 EHABRO Cc1cccc(Nc2cc([C@H]3CCC[N@H+]3Cc3cnn(C)c3)ccn2)n1 ZINC000257219761 244183220 /nfs/dbraw/zinc/18/32/20/244183220.db2.gz DIAFGMRLTJIRSJ-GOSISDBHSA-N 1 0 348.454 3.599 40 0 EHABRO Clc1ccccc1C[C@@H]1CC2(CO1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000257264448 244355853 /nfs/dbraw/zinc/35/58/53/244355853.db2.gz LUKSQNHERFHXCT-MRXNPFEDSA-N 1 0 345.874 3.677 40 0 EHABRO CCC(CC)C(=O)N(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257313468 244497170 /nfs/dbraw/zinc/49/71/70/244497170.db2.gz USPQJTVLWBYJHH-SFHVURJKSA-N 1 0 348.462 3.506 40 0 EHABRO C[C@H](Cn1cncc1-c1c[nH]nc1-c1ccccc1)[NH+]1CCCCC1 ZINC000019719563 212057543 /nfs/dbraw/zinc/05/75/43/212057543.db2.gz JXAUAXGXEHUHMZ-MRXNPFEDSA-N 1 0 335.455 3.815 40 0 EHABRO C[C@@H](Cn1cncc1-c1c[nH]nc1-c1ccccc1)[NH+]1CCCCC1 ZINC000019719562 212057062 /nfs/dbraw/zinc/05/70/62/212057062.db2.gz JXAUAXGXEHUHMZ-INIZCTEOSA-N 1 0 335.455 3.815 40 0 EHABRO Cc1ccc(-n2cc(-c3cncn3CCC[NH+]3CCCCC3)cn2)cc1 ZINC000019719527 212056800 /nfs/dbraw/zinc/05/68/00/212056800.db2.gz MCWXGQPNIDSXGI-UHFFFAOYSA-N 1 0 349.482 3.920 40 0 EHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1OC ZINC000019527221 212038022 /nfs/dbraw/zinc/03/80/22/212038022.db2.gz MNEITHTXZPGMOW-HXUWFJFHSA-N 1 0 339.483 3.577 40 0 EHABRO CCc1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019523466 212037106 /nfs/dbraw/zinc/03/71/06/212037106.db2.gz OZZHJCJGNODWPA-KOUHRCEDSA-N 1 0 337.467 3.720 40 0 EHABRO c1cc(-c2nnc(C3CC[NH+](CC4CCCCC4)CC3)o2)ccn1 ZINC000019405949 212025713 /nfs/dbraw/zinc/02/57/13/212025713.db2.gz JNHHXUNYYWQWSL-UHFFFAOYSA-N 1 0 326.444 3.891 40 0 EHABRO c1ccc(-c2noc([C@H]3C[N@H+](CC4CCCCC4)CCO3)n2)cc1 ZINC000019374351 212023942 /nfs/dbraw/zinc/02/39/42/212023942.db2.gz NXFVVEVOMDRHDM-QGZVFWFLSA-N 1 0 327.428 3.690 40 0 EHABRO O[C@H](C[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1)c1cccs1 ZINC000019294328 212012850 /nfs/dbraw/zinc/01/28/50/212012850.db2.gz LNFHWNFCEUDDAW-OAHLLOKOSA-N 1 0 344.411 3.634 40 0 EHABRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012292230 211335630 /nfs/dbraw/zinc/33/56/30/211335630.db2.gz INWXRHLFMUADII-NRFANRHFSA-N 1 0 339.479 3.629 40 0 EHABRO Cc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000012292450 211335191 /nfs/dbraw/zinc/33/51/91/211335191.db2.gz ZRRPVURWJGIBTN-IBGZPJMESA-N 1 0 345.870 3.665 40 0 EHABRO OCC[N@H+](Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccccc1 ZINC000012256340 211329442 /nfs/dbraw/zinc/32/94/42/211329442.db2.gz BCNISANEMRBXHG-UHFFFAOYSA-N 1 0 347.418 3.817 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)cc1OC ZINC000012222638 211323879 /nfs/dbraw/zinc/32/38/79/211323879.db2.gz HSBXGIZLBDTKGH-KRWDZBQOSA-N 1 0 337.423 3.917 40 0 EHABRO CC(C)c1ncc(C[N@@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012220549 211322121 /nfs/dbraw/zinc/32/21/21/211322121.db2.gz WUQQHNYHEMRQBR-HXUWFJFHSA-N 1 0 343.446 3.613 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(-c3cccs3)no2)C1 ZINC000012205078 211320242 /nfs/dbraw/zinc/32/02/42/211320242.db2.gz DPLUYDXWJSDCFA-ZIAGYGMSSA-N 1 0 347.484 3.501 40 0 EHABRO C[C@@H]([NH2+]C[C@H](O)COC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010434692 211173428 /nfs/dbraw/zinc/17/34/28/211173428.db2.gz ZVPLSJPATOUUND-ZOHWMCIKSA-N 1 0 329.484 3.684 40 0 EHABRO Cc1cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc(C)c1OCC(C)C ZINC000095095391 218281065 /nfs/dbraw/zinc/28/10/65/218281065.db2.gz FVZOCOKDUXSBKW-OAHLLOKOSA-N 1 0 329.444 3.855 40 0 EHABRO COc1c2c(cc3c1[C@@H](CCCc1ccccc1)[N@H+](C)CC3)OCO2 ZINC000004916811 210322894 /nfs/dbraw/zinc/32/28/94/210322894.db2.gz NGWNBLVYNIGAGH-QGZVFWFLSA-N 1 0 339.435 3.976 40 0 EHABRO CC[C@H](OC[C@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C)c1ccccc1 ZINC000002694701 563445870 /nfs/dbraw/zinc/44/58/70/563445870.db2.gz VLYOFQGVVBQABC-MOPGFXCFSA-N 1 0 349.515 3.529 40 0 EHABRO COc1cccc(C[NH2+]C(C)(C)CO)c1OCc1ccccc1Cl ZINC000006883182 563590649 /nfs/dbraw/zinc/59/06/49/563590649.db2.gz RLAFGYKYTAIHIR-UHFFFAOYSA-N 1 0 349.858 3.788 40 0 EHABRO O=C(CCc1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012657 563619101 /nfs/dbraw/zinc/61/91/01/563619101.db2.gz SEZSAZGFWOBMQS-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCC[NH+]1CCCCCC1 ZINC000013708773 563713686 /nfs/dbraw/zinc/71/36/86/563713686.db2.gz DVGLDCJZBXYOPX-KRWDZBQOSA-N 1 0 340.467 3.599 40 0 EHABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1cccc(C)c1 ZINC000016349307 563809287 /nfs/dbraw/zinc/80/92/87/563809287.db2.gz TZCLVDFQSUAPOT-UHFFFAOYSA-N 1 0 342.483 3.624 40 0 EHABRO CC(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019019463 563853181 /nfs/dbraw/zinc/85/31/81/563853181.db2.gz GCCMDUJEAWVBPZ-KZNAEPCWSA-N 1 0 346.521 3.646 40 0 EHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCc2ccccc21 ZINC000030946914 563911886 /nfs/dbraw/zinc/91/18/86/563911886.db2.gz CNZHTOQFNDCQJH-GOSISDBHSA-N 1 0 338.426 3.627 40 0 EHABRO Cc1ccc(C2(C(=O)N3CCC[C@]4(CC[N@H+]4CC(C)C)C3)CC2)cc1 ZINC000585102390 563971522 /nfs/dbraw/zinc/97/15/22/563971522.db2.gz ZEGWHMCVKPYCBD-NRFANRHFSA-N 1 0 340.511 3.750 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCN(Cc4nccs4)CC3)CC2)o1 ZINC000096047215 563978164 /nfs/dbraw/zinc/97/81/64/563978164.db2.gz WETAPWLGHRFZOU-UHFFFAOYSA-N 1 0 345.512 3.923 40 0 EHABRO Fc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096047578 563978226 /nfs/dbraw/zinc/97/82/26/563978226.db2.gz DCSMHJYMKBDLGL-AEFFLSMTSA-N 1 0 332.444 3.733 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096048250 563978376 /nfs/dbraw/zinc/97/83/76/563978376.db2.gz DPHIXUKXHVKHPN-HKUYNNGSSA-N 1 0 344.480 3.654 40 0 EHABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccncc2)CC3)c1 ZINC000096049442 563978433 /nfs/dbraw/zinc/97/84/33/563978433.db2.gz UUWXJKZDOJXDRG-UHFFFAOYSA-N 1 0 349.478 3.547 40 0 EHABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096050616 563978483 /nfs/dbraw/zinc/97/84/83/563978483.db2.gz AIBQLIQQLHMOJE-LJQANCHMSA-N 1 0 344.455 3.512 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2)o1 ZINC000096215897 563980265 /nfs/dbraw/zinc/98/02/65/563980265.db2.gz UNBBRCMDZTUPTF-LJQANCHMSA-N 1 0 344.480 3.778 40 0 EHABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000585289212 563981965 /nfs/dbraw/zinc/98/19/65/563981965.db2.gz OBUNYRKYGFKWEC-IPMKNSEASA-N 1 0 331.843 3.791 40 0 EHABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225611129 564048368 /nfs/dbraw/zinc/04/83/68/564048368.db2.gz WPSDSTNNHJFIDU-IBGZPJMESA-N 1 0 336.476 3.551 40 0 EHABRO COC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCCCCC1 ZINC000225630891 564048695 /nfs/dbraw/zinc/04/86/95/564048695.db2.gz SCQNKLHSIMNLCD-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225647370 564048940 /nfs/dbraw/zinc/04/89/40/564048940.db2.gz AHRNJQUHNDZVAM-MRXNPFEDSA-N 1 0 348.487 3.551 40 0 EHABRO Fc1ccc(C[NH+]2CCC3(CO[C@@H](Cc4cccnc4)C3)CC2)cc1 ZINC000257315427 564055310 /nfs/dbraw/zinc/05/53/10/564055310.db2.gz VBHVPDDYHNSZOS-FQEVSTJZSA-N 1 0 340.442 3.835 40 0 EHABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257316488 564055331 /nfs/dbraw/zinc/05/53/31/564055331.db2.gz VFVOXXXNWQSWQP-GOSISDBHSA-N 1 0 333.439 3.555 40 0 EHABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000253601871 564124697 /nfs/dbraw/zinc/12/46/97/564124697.db2.gz GBOVVLCBJFNDBS-FUHWJXTLSA-N 1 0 337.467 3.854 40 0 EHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2nsc3ccccc23)CC1 ZINC000098181660 219087635 /nfs/dbraw/zinc/08/76/35/219087635.db2.gz KNWGSWWNEKHUBE-UHFFFAOYSA-N 1 0 347.484 3.785 40 0 EHABRO COc1ccc(-c2cc(CC3([NH2+]C4CCCCC4)COC3)no2)cc1 ZINC000067898345 215246125 /nfs/dbraw/zinc/24/61/25/215246125.db2.gz VXOCXGGTOBJZBW-UHFFFAOYSA-N 1 0 342.439 3.584 40 0 biogenic,in-vitro EHABRO C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CCC[NH2+][C@@H]5CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000104389295 219383971 /nfs/dbraw/zinc/38/39/71/219383971.db2.gz VTUJCRYRYIZIRS-DPZYUTSNSA-N 1 0 344.543 3.889 40 0 EHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039762713 213242739 /nfs/dbraw/zinc/24/27/39/213242739.db2.gz GWPKRVZBNHFUTL-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038834239 213228112 /nfs/dbraw/zinc/22/81/12/213228112.db2.gz HQBKRURKZWDYEG-MRXNPFEDSA-N 1 0 342.414 3.685 40 0 EHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1 ZINC000032461972 212803483 /nfs/dbraw/zinc/80/34/83/212803483.db2.gz DJUOYDRPPUSZIC-UHFFFAOYSA-N 1 0 328.843 3.866 40 0 EHABRO C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072203344 216069520 /nfs/dbraw/zinc/06/95/20/216069520.db2.gz GQFJNTBRETZRAV-CQSZACIVSA-N 1 0 339.867 3.566 40 0 EHABRO CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000072330386 216154697 /nfs/dbraw/zinc/15/46/97/216154697.db2.gz WKUPEBRNSDFFTQ-PXNSSMCTSA-N 1 0 331.504 3.653 40 0 EHABRO COc1ccc(-c2[nH]c3ncccc3c2C[NH+]2CCSCC2)cc1 ZINC000072343209 216159689 /nfs/dbraw/zinc/15/96/89/216159689.db2.gz SNDUHZFADBQVQG-UHFFFAOYSA-N 1 0 339.464 3.787 40 0 EHABRO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072355489 216163563 /nfs/dbraw/zinc/16/35/63/216163563.db2.gz NSQDAIIUAOYYMH-GOSISDBHSA-N 1 0 334.423 3.613 40 0 EHABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072354664 216163906 /nfs/dbraw/zinc/16/39/06/216163906.db2.gz ZZOCZQAZXSXRCL-GOSISDBHSA-N 1 0 349.413 3.597 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377557 216178799 /nfs/dbraw/zinc/17/87/99/216178799.db2.gz ARUFXDQNUUFUCV-LJQANCHMSA-N 1 0 345.450 3.995 40 0 EHABRO c1ccc(Oc2cncc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072384260 216185319 /nfs/dbraw/zinc/18/53/19/216185319.db2.gz JHQDBWKUDVFDTA-SFHVURJKSA-N 1 0 325.412 3.585 40 0 EHABRO c1cncc(-c2nnc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)o2)c1 ZINC000072389988 216189328 /nfs/dbraw/zinc/18/93/28/216189328.db2.gz INOMNXRYKXBYLL-KRWDZBQOSA-N 1 0 326.444 3.891 40 0 EHABRO O=C(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1)C1CC1 ZINC000072393380 216192839 /nfs/dbraw/zinc/19/28/39/216192839.db2.gz PHEHFDOSWWPSRK-UHFFFAOYSA-N 1 0 346.902 3.752 40 0 EHABRO C[NH+](C)CCN(Cc1ccncc1)Cc1ccc(C(F)(F)F)cc1 ZINC000022913797 212333367 /nfs/dbraw/zinc/33/33/67/212333367.db2.gz DCDYUJQXEXUSSC-UHFFFAOYSA-N 1 0 337.389 3.664 40 0 EHABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225727411 242008018 /nfs/dbraw/zinc/00/80/18/242008018.db2.gz OBYNXPFOWKZKSL-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO O=C1C[C@@H]([NH2+]C2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000020436108 212128756 /nfs/dbraw/zinc/12/87/56/212128756.db2.gz MBCFIPATYINVHV-CQSZACIVSA-N 1 0 341.238 3.548 40 0 EHABRO c1cc2c(cccc2C[C@H]2COCC[N@H+](Cc3cncs3)C2)o1 ZINC000257235345 244226654 /nfs/dbraw/zinc/22/66/54/244226654.db2.gz GXKMVHXHQXUHNR-CQSZACIVSA-N 1 0 328.437 3.580 40 0 EHABRO CC(C)n1cc(-c2cncc(C[C@H]3CCC[N@@H+](C(C)C)C3)n2)cn1 ZINC000257271561 244379995 /nfs/dbraw/zinc/37/99/95/244379995.db2.gz MYUWHSKJMPWJGQ-MRXNPFEDSA-N 1 0 327.476 3.584 40 0 EHABRO Cc1cc(C)n(C2CC[NH+](Cc3c(C)nc4cc(C)ccn43)CC2)n1 ZINC000019658988 212053985 /nfs/dbraw/zinc/05/39/85/212053985.db2.gz SPOIKBBHIBAQDY-UHFFFAOYSA-N 1 0 337.471 3.602 40 0 EHABRO COCc1ccc(C(=O)N2CCC(c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000019594397 212049997 /nfs/dbraw/zinc/04/99/97/212049997.db2.gz DGWSNMDLJCCPLX-UHFFFAOYSA-N 1 0 349.434 3.729 40 0 EHABRO COCC[N@H+](CC1(c2ccc(F)cc2)CCCC1)C1CCN(C)CC1 ZINC000019588127 212049001 /nfs/dbraw/zinc/04/90/01/212049001.db2.gz XVSZQPFXOHIMAE-UHFFFAOYSA-N 1 0 348.506 3.680 40 0 EHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1OC ZINC000019527222 212038107 /nfs/dbraw/zinc/03/81/07/212038107.db2.gz MNEITHTXZPGMOW-FQEVSTJZSA-N 1 0 339.483 3.577 40 0 EHABRO Clc1cccc(C[NH+]2CCC(c3cc4nccnc4[nH]3)CC2)c1 ZINC000019293398 212012600 /nfs/dbraw/zinc/01/26/00/212012600.db2.gz BAOVECAGECHMTR-UHFFFAOYSA-N 1 0 326.831 3.991 40 0 EHABRO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000019286855 212009879 /nfs/dbraw/zinc/00/98/79/212009879.db2.gz ZWKXNIDOKPRLEP-IBGZPJMESA-N 1 0 345.450 3.622 40 0 EHABRO Cc1ccc(C2(O)CC[NH+](Cc3ccccc3-n3cccn3)CC2)cc1 ZINC000012293044 211335777 /nfs/dbraw/zinc/33/57/77/211335777.db2.gz WVKOMGTVZTXLEL-UHFFFAOYSA-N 1 0 347.462 3.664 40 0 EHABRO Cn1cc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000012240663 211328650 /nfs/dbraw/zinc/32/86/50/211328650.db2.gz XKONLNYXBRNRBH-UHFFFAOYSA-N 1 0 338.426 3.801 40 0 EHABRO Cc1cc2nc(C3CC[NH+](C[C@H](C)c4ccccc4)CC3)cc(N)n2n1 ZINC000012121519 211299383 /nfs/dbraw/zinc/29/93/83/211299383.db2.gz OLIRHLHGCRDFMW-HNNXBMFYSA-N 1 0 349.482 3.603 40 0 EHABRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+]Cc3ccccc3)C2)CC1 ZINC000091692908 218049072 /nfs/dbraw/zinc/04/90/72/218049072.db2.gz ZDJCRZYKHSXQLV-UHFFFAOYSA-N 1 0 330.472 3.956 40 0 EHABRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009062637 211037584 /nfs/dbraw/zinc/03/75/84/211037584.db2.gz CCNKDCUBFVUSRV-ZSZQSSIHSA-N 1 0 346.902 3.857 40 0 EHABRO C[N@H+](CCO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918441 221204326 /nfs/dbraw/zinc/20/43/26/221204326.db2.gz NINCEUANGIAEBE-KGIOUCCPSA-N 1 0 349.559 3.683 40 0 EHABRO COC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC(C)CC1 ZINC000225640640 536545479 /nfs/dbraw/zinc/54/54/79/536545479.db2.gz VMKNZJSBIJHZDP-UHFFFAOYSA-N 1 0 348.487 3.551 40 0 EHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225602398 536018227 /nfs/dbraw/zinc/01/82/27/536018227.db2.gz ZKOHZWUWNCKPNY-HXUWFJFHSA-N 1 0 348.487 3.695 40 0 EHABRO CC[NH+](CC)C[C@H](Oc1ccccc1OC)C(=O)c1ccccc1 ZINC000006382393 563566558 /nfs/dbraw/zinc/56/65/58/563566558.db2.gz BNVUDMKWTPDKAX-IBGZPJMESA-N 1 0 327.424 3.667 40 0 EHABRO CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006883126 563590611 /nfs/dbraw/zinc/59/06/11/563590611.db2.gz QERAAEQLIATTCK-UHFFFAOYSA-N 1 0 337.822 3.919 40 0 EHABRO Cc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)o1 ZINC000012126513 563654304 /nfs/dbraw/zinc/65/43/04/563654304.db2.gz OHAJTAJQDRWTQS-UHFFFAOYSA-N 1 0 341.451 3.904 40 0 EHABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCCC[NH+]1CCCC1 ZINC000013674054 563709700 /nfs/dbraw/zinc/70/97/00/563709700.db2.gz PCFVFFYRNLBONA-FNORWQNLSA-N 1 0 327.255 3.609 40 0 EHABRO Cc1nccc(-c2cccc(-c3noc(C[NH+]4CCCCCC4)n3)c2)n1 ZINC000019287601 563855374 /nfs/dbraw/zinc/85/53/74/563855374.db2.gz IVNQFPOGDASRJF-UHFFFAOYSA-N 1 0 349.438 3.878 40 0 EHABRO COc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 ZINC000006008123 563950094 /nfs/dbraw/zinc/95/00/94/563950094.db2.gz SAAKIWVYERLGFF-IXDOHACOSA-N 1 0 349.515 3.710 40 0 EHABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000253608511 563950449 /nfs/dbraw/zinc/95/04/49/563950449.db2.gz PSKUZPOGYZMETL-BZIXAJQCSA-N 1 0 325.537 3.803 40 0 EHABRO COC(=O)[C@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072341114 563966402 /nfs/dbraw/zinc/96/64/02/563966402.db2.gz FGXSYQLGFKLQMK-LQWHRVPQSA-N 1 0 341.451 3.508 40 0 EHABRO Cc1cccc(CO[C@@H]2CSC3(C[NH+](Cc4cccs4)C3)C2)n1 ZINC000585103657 563971451 /nfs/dbraw/zinc/97/14/51/563971451.db2.gz CGPZOLXFAXRHCT-INIZCTEOSA-N 1 0 346.521 3.728 40 0 EHABRO c1ccc(Nc2cncc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)n2)nc1 ZINC000585176624 563975009 /nfs/dbraw/zinc/97/50/09/563975009.db2.gz AQGOQSBANYINJX-QGZVFWFLSA-N 1 0 349.482 3.573 40 0 EHABRO O=C1CC[C@]2(CCC[N@H+](CC3CC3)CC2)N1Cc1cccc(F)c1 ZINC000096047563 563978224 /nfs/dbraw/zinc/97/82/24/563978224.db2.gz JABYQZTYFQUUEV-FQEVSTJZSA-N 1 0 330.447 3.583 40 0 EHABRO Fc1ccc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)cc1 ZINC000096049316 563978407 /nfs/dbraw/zinc/97/84/07/563978407.db2.gz KSFWPCUXSAPKTK-UHFFFAOYSA-N 1 0 339.458 3.851 40 0 EHABRO O=C(C[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21)NC1CC1 ZINC000096053014 563978664 /nfs/dbraw/zinc/97/86/64/563978664.db2.gz PPXUGAQIYHBVGU-KRWDZBQOSA-N 1 0 338.495 3.586 40 0 EHABRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3cccs3)C2)C1=O ZINC000096100294 563979170 /nfs/dbraw/zinc/97/91/70/563979170.db2.gz UCGNYNHORXRBME-HXUWFJFHSA-N 1 0 340.492 3.894 40 0 EHABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)o1 ZINC000096100304 563979173 /nfs/dbraw/zinc/97/91/73/563979173.db2.gz KHIMWCSBWKUTGE-OAQYLSRUSA-N 1 0 338.451 3.734 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ccc(C)nn2)C3)s1 ZINC000096216976 563980361 /nfs/dbraw/zinc/98/03/61/563980361.db2.gz XHPBHEZKMZQDTG-LJQANCHMSA-N 1 0 342.512 3.647 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2)o1 ZINC000096215894 563980397 /nfs/dbraw/zinc/98/03/97/563980397.db2.gz UNBBRCMDZTUPTF-IBGZPJMESA-N 1 0 344.480 3.778 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccc3F)[C@H]2O)c1 ZINC000585288968 563981967 /nfs/dbraw/zinc/98/19/67/563981967.db2.gz LYZUZYQXUKONPG-PWRODBHTSA-N 1 0 343.442 3.927 40 0 EHABRO COCC[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000007539999 564015624 /nfs/dbraw/zinc/01/56/24/564015624.db2.gz HVQKCVNHANHCLX-UHFFFAOYSA-N 1 0 341.860 3.725 40 0 EHABRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000007636279 564015745 /nfs/dbraw/zinc/01/57/45/564015745.db2.gz MQVKTXKYDWFPRQ-NRFANRHFSA-N 1 0 339.479 3.689 40 0 EHABRO CCOC(=O)c1ccc(-c2ccc(CNCC[NH+](CC)CC)o2)cc1 ZINC000022076240 564034163 /nfs/dbraw/zinc/03/41/63/564034163.db2.gz HSVDFMSLGDPJLL-UHFFFAOYSA-N 1 0 344.455 3.555 40 0 EHABRO COC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225599657 564048215 /nfs/dbraw/zinc/04/82/15/564048215.db2.gz QPYWFJQDOOTGOV-UHFFFAOYSA-N 1 0 348.487 3.551 40 0 EHABRO CC[NH+](CC)CCCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1 ZINC000225602572 564048282 /nfs/dbraw/zinc/04/82/82/564048282.db2.gz LJOBOSAPGJYAOK-IBGZPJMESA-N 1 0 336.476 3.551 40 0 EHABRO CCOC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCCCCC1 ZINC000225711109 564049669 /nfs/dbraw/zinc/04/96/69/564049669.db2.gz ABQGCTIFBGHOSE-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000029908343 564049712 /nfs/dbraw/zinc/04/97/12/564049712.db2.gz ZPINEFSNKRRXQQ-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000029903701 564049728 /nfs/dbraw/zinc/04/97/28/564049728.db2.gz HFHQIOYITUXUBA-UHFFFAOYSA-N 1 0 342.414 3.685 40 0 EHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814584 564052635 /nfs/dbraw/zinc/05/26/35/564052635.db2.gz KYFUHTDUENTHJV-JXFKEZNVSA-N 1 0 348.487 3.551 40 0 EHABRO Cc1ncc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000257326090 564055515 /nfs/dbraw/zinc/05/55/15/564055515.db2.gz WVTJYUMRDDUYIJ-GOSISDBHSA-N 1 0 347.466 3.565 40 0 EHABRO Clc1ncccc1-c1noc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000253492698 564124638 /nfs/dbraw/zinc/12/46/38/564124638.db2.gz QVJFQLVCYIEWOD-GXTWGEPZSA-N 1 0 332.835 3.940 40 0 EHABRO C[N@@H+]1CC[C@@H]2[C@H](C1)c1ccccc1N2C(=O)c1cc2ccccc2o1 ZINC000252444383 1128960398 /nfs/dbraw/zinc/96/03/98/1128960398.db2.gz OKNPEAZTEBJDNZ-SJLPKXTDSA-N 1 0 332.403 3.881 40 0 EHABRO Fc1ccc(-c2cc(CC3([NH2+]C4CCCCC4)COC3)no2)cc1 ZINC000067897865 215245680 /nfs/dbraw/zinc/24/56/80/215245680.db2.gz IWNKATWCDJBOKM-UHFFFAOYSA-N 1 0 330.403 3.715 40 0 biogenic,in-vitro EHABRO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039744074 213242067 /nfs/dbraw/zinc/24/20/67/213242067.db2.gz STMBTFBUEAINGX-UHFFFAOYSA-N 1 0 348.368 3.955 40 0 EHABRO O=C(Nc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038853582 213227727 /nfs/dbraw/zinc/22/77/27/213227727.db2.gz MNMDSFHBKYRPJC-CQSZACIVSA-N 1 0 348.368 3.955 40 0 EHABRO c1c(-c2ccc3c(c2)OCCO3)n(-c2ccccc2)c2cccc[n+]12 ZINC000000392103 209567106 /nfs/dbraw/zinc/56/71/06/209567106.db2.gz LHTBDVHSLJKJAW-UHFFFAOYSA-N 1 0 329.379 3.654 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378685 216181797 /nfs/dbraw/zinc/18/17/97/216181797.db2.gz MVODCBVWAMWISG-GOSISDBHSA-N 1 0 348.450 3.656 40 0 EHABRO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@H+](CC4CC4)C3)n2)c1 ZINC000072369966 216178030 /nfs/dbraw/zinc/17/80/30/216178030.db2.gz ORUMRJAMFDZVNR-ZDUSSCGKSA-N 1 0 337.345 3.955 40 0 EHABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389963 216189730 /nfs/dbraw/zinc/18/97/30/216189730.db2.gz MAYKABIKCWYXKU-INIZCTEOSA-N 1 0 338.386 3.650 40 0 EHABRO CN(C)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cn(C)c2ccccc12 ZINC000072395129 216193300 /nfs/dbraw/zinc/19/33/00/216193300.db2.gz KPDHBNGBNTXLDE-IRLDBZIGSA-N 1 0 333.479 3.708 40 0 EHABRO CCOc1ccccc1NC(=S)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000225727195 242008130 /nfs/dbraw/zinc/00/81/30/242008130.db2.gz RUZPFWCIDUZBEB-HOTGVXAUSA-N 1 0 349.544 3.740 40 0 EHABRO CC(C)Oc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225737500 242013346 /nfs/dbraw/zinc/01/33/46/242013346.db2.gz HJDMYMYSIURBQN-MRXNPFEDSA-N 1 0 349.544 3.882 40 0 EHABRO C[N+]1=C(/C=C/c2ccc(-n3ccnn3)cc2)C(C)(C)c2ccccc21 ZINC000255190770 244048502 /nfs/dbraw/zinc/04/85/02/244048502.db2.gz ZIEBXZWRUVQSPU-UHFFFAOYSA-N 1 0 329.427 3.987 40 0 EHABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000020105201 212101114 /nfs/dbraw/zinc/10/11/14/212101114.db2.gz QPDISRAEIPUOIE-MRXNPFEDSA-N 1 0 340.920 3.813 40 0 EHABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000257332043 244552082 /nfs/dbraw/zinc/55/20/82/244552082.db2.gz XVMTZPYZPVFFHN-GOSISDBHSA-N 1 0 346.438 3.737 40 0 EHABRO O=C(Cc1ccc(F)cc1)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019333201 212016138 /nfs/dbraw/zinc/01/61/38/212016138.db2.gz QHQKAUKACQCPAG-UHFFFAOYSA-N 1 0 337.398 3.651 40 0 EHABRO Fc1ccc([C@H]2C[NH2+][C@@H]3CCCN(Cc4cccc(F)c4)[C@@H]32)cc1 ZINC000019293856 212013227 /nfs/dbraw/zinc/01/32/27/212013227.db2.gz DHRFODKOOXGUFG-VAMGGRTRSA-N 1 0 328.406 3.685 40 0 EHABRO FC(F)c1cc([C@H]2CCC[N@H+](CC3CCCCC3)C2)nc2ncnn21 ZINC000012406882 211370755 /nfs/dbraw/zinc/37/07/55/211370755.db2.gz OUFXIPXRHCCSKZ-AWEZNQCLSA-N 1 0 349.429 3.822 40 0 EHABRO Fc1cccc(F)c1Cn1cccc2cc([C@@H]3CCC[NH2+]C3)nc1-2 ZINC000012337668 211351271 /nfs/dbraw/zinc/35/12/71/211351271.db2.gz PLOFMXVKDUQHKV-CQSZACIVSA-N 1 0 327.378 3.781 40 0 EHABRO CCCn1nc(C)c(C[N@@H+](Cc2sccc2C)C[C@@H](C)O)c1C ZINC000012185496 211314301 /nfs/dbraw/zinc/31/43/01/211314301.db2.gz AZLKHSHJXSNGJT-CQSZACIVSA-N 1 0 335.517 3.663 40 0 EHABRO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4CCCC[C@H]4C)n3)cc2)n1 ZINC000012186099 211312867 /nfs/dbraw/zinc/31/28/67/211312867.db2.gz BXRHSDYEUYJCNG-CQSZACIVSA-N 1 0 349.438 3.876 40 0 EHABRO O=C(CCSc1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC000010277040 211160196 /nfs/dbraw/zinc/16/01/96/211160196.db2.gz VCMZJOOZSMYKKN-UHFFFAOYSA-N 1 0 340.920 3.814 40 0 EHABRO CN1C(=O)C2(CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000096100247 218593358 /nfs/dbraw/zinc/59/33/58/218593358.db2.gz DPTIOWHJQXBPJF-IBGZPJMESA-N 1 0 338.426 3.621 40 0 EHABRO CC[NH+](CC)CCSc1nc2cc3c(cc2cc1C)OCCO3 ZINC000004929962 210327255 /nfs/dbraw/zinc/32/72/55/210327255.db2.gz KXFVZLNLCDDJFA-UHFFFAOYSA-N 1 0 332.469 3.748 40 0 EHABRO CC(C)CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1 ZINC000004887661 210312932 /nfs/dbraw/zinc/31/29/32/210312932.db2.gz IUGCEJHLLWZOAO-ZNXRZULTSA-N 1 0 337.577 3.825 40 0 EHABRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCC(C)(C)C3)CC2)cc1 ZINC000039767245 257854903 /nfs/dbraw/zinc/85/49/03/257854903.db2.gz MMVOVVCAGXJJBW-UHFFFAOYSA-N 1 0 328.500 3.856 40 0 EHABRO C[NH+](C)CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000013669965 257912127 /nfs/dbraw/zinc/91/21/27/257912127.db2.gz USYYSSBTBTUZSV-UHFFFAOYSA-N 1 0 348.899 3.924 40 0 EHABRO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000039756151 518426024 /nfs/dbraw/zinc/42/60/24/518426024.db2.gz AVVFNPDQWUHHET-UHFFFAOYSA-N 1 0 336.435 3.740 40 0 EHABRO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(F)cc1 ZINC000000819145 563364462 /nfs/dbraw/zinc/36/44/62/563364462.db2.gz ARZJPBNLMWGMGU-UHFFFAOYSA-N 1 0 325.343 3.567 40 0 EHABRO CC[C@H](OC[C@@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C)c1ccccc1 ZINC000002694705 563445884 /nfs/dbraw/zinc/44/58/84/563445884.db2.gz VLYOFQGVVBQABC-OALUTQOASA-N 1 0 349.515 3.529 40 0 EHABRO C[C@@]1(O)CC[C@@H]2[C@H]3CC=C4N5CC[NH+]=C5CC[C@]4(C)[C@H]3CC[C@]21C ZINC000006268591 563563285 /nfs/dbraw/zinc/56/32/85/563563285.db2.gz IYTWAYCUKKPIHQ-FWWKOUSWSA-N 1 0 328.500 3.982 40 0 in-vitro EHABRO CC[NH+](CC)CCOC(=O)[C@@H]1CCCC[C@H]1C(=O)C1CCCCC1 ZINC000006382245 563566565 /nfs/dbraw/zinc/56/65/65/563566565.db2.gz GCSXQKJRCSGYPB-QZTJIDSGSA-N 1 0 337.504 3.827 40 0 EHABRO O=C(Nc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030938387 563911800 /nfs/dbraw/zinc/91/18/00/563911800.db2.gz KXNMCLNAZOUVHG-AWEZNQCLSA-N 1 0 348.368 3.955 40 0 EHABRO C=Cn1ncc(C[N@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)c1C ZINC000043277741 563925521 /nfs/dbraw/zinc/92/55/21/563925521.db2.gz LIYAXQDCXWCWDK-IBGZPJMESA-N 1 0 339.487 3.737 40 0 EHABRO Cc1ccc(C(C)C)c(OCC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000061553665 563950690 /nfs/dbraw/zinc/95/06/90/563950690.db2.gz JDGAZMMKKNQYNE-UHFFFAOYSA-N 1 0 346.515 3.735 40 0 EHABRO C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585102332 563971529 /nfs/dbraw/zinc/97/15/29/563971529.db2.gz XEBIHTVEMVHUAG-OAQYLSRUSA-N 1 0 336.435 3.789 40 0 EHABRO O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1ccco1)CC2 ZINC000096047268 563978298 /nfs/dbraw/zinc/97/82/98/563978298.db2.gz AGIDUXCDZQESQJ-UHFFFAOYSA-N 1 0 344.480 3.860 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)s1 ZINC000096047342 563978300 /nfs/dbraw/zinc/97/83/00/563978300.db2.gz HLGRZEKQQMPBEJ-UHFFFAOYSA-N 1 0 342.512 3.729 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCC(CC(=O)N(C)C)CC3)CC2)o1 ZINC000096049271 563978405 /nfs/dbraw/zinc/97/84/05/563978405.db2.gz NARFIAKPTIKTNT-UHFFFAOYSA-N 1 0 332.488 3.839 40 0 EHABRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4cccs4)C3)CC2=O)s1 ZINC000096050858 563978480 /nfs/dbraw/zinc/97/84/80/563978480.db2.gz BXTFZDMFGIHFPF-QGZVFWFLSA-N 1 0 332.494 3.747 40 0 EHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)s1 ZINC000096055439 563978672 /nfs/dbraw/zinc/97/86/72/563978672.db2.gz ULHVZKGBOYPKKL-RYQLBKOJSA-N 1 0 344.480 3.510 40 0 EHABRO CC(C)C[N@@H+]1CCC[C@]12CCCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000096071319 563979058 /nfs/dbraw/zinc/97/90/58/563979058.db2.gz WDRHNRTVBVHALT-FQEVSTJZSA-N 1 0 348.918 3.996 40 0 EHABRO COc1ccc(C[C@H]2C[N@@H+](Cc3nc(C)cs3)CC[C@@H]2OC)cc1 ZINC000096110576 563979318 /nfs/dbraw/zinc/97/93/18/563979318.db2.gz JFQZITPXYUVWRP-WMZOPIPTSA-N 1 0 346.496 3.540 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)CC4CC4)C3)CC2)cc1 ZINC000096157626 563979764 /nfs/dbraw/zinc/97/97/64/563979764.db2.gz KXDDSBIICFXOTQ-UHFFFAOYSA-N 1 0 326.484 3.610 40 0 EHABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239572 563980490 /nfs/dbraw/zinc/98/04/90/563980490.db2.gz KWGYGWSVOKAZQB-KRWDZBQOSA-N 1 0 349.450 3.881 40 0 EHABRO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062892 564016578 /nfs/dbraw/zinc/01/65/78/564016578.db2.gz BJMNBIJTEZSSPI-UHFFFAOYSA-N 1 0 336.479 3.832 40 0 EHABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000010332056 564017301 /nfs/dbraw/zinc/01/73/01/564017301.db2.gz ATKQNYHTYPHKAB-UHFFFAOYSA-N 1 0 340.423 3.552 40 0 EHABRO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000224516857 564043034 /nfs/dbraw/zinc/04/30/34/564043034.db2.gz KAXXPURXGADZMQ-UHFFFAOYSA-N 1 0 338.451 3.529 40 0 EHABRO O=C(CCc1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224647086 564043386 /nfs/dbraw/zinc/04/33/86/564043386.db2.gz ATGRFVWQCIMGQF-UHFFFAOYSA-N 1 0 336.479 3.922 40 0 EHABRO S=C(Nc1ccccc1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225229502 564045464 /nfs/dbraw/zinc/04/54/64/564045464.db2.gz UXHPYVNIRLUEQU-UHFFFAOYSA-N 1 0 331.510 3.699 40 0 EHABRO CC(C)Oc1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000225411003 564046516 /nfs/dbraw/zinc/04/65/16/564046516.db2.gz WYVZTELDWJHXMQ-UHFFFAOYSA-N 1 0 335.517 3.636 40 0 EHABRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc(C(F)F)nc1 ZINC000658042054 564052452 /nfs/dbraw/zinc/05/24/52/564052452.db2.gz PEYCGGXAVUVGHL-SRCQZFHVSA-N 1 0 333.382 3.985 40 0 EHABRO Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257289314 564054827 /nfs/dbraw/zinc/05/48/27/564054827.db2.gz PYCDZOVCGHLCPX-PIIMJCKOSA-N 1 0 328.481 3.879 40 0 EHABRO CC(=O)N1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1c1ccccc1 ZINC000257299001 564055047 /nfs/dbraw/zinc/05/50/47/564055047.db2.gz ROHDMKAZDYLOPK-JOCHJYFZSA-N 1 0 345.446 3.640 40 0 EHABRO Cc1ccc(C)c(NC(=O)C[NH+]2CCC3(COC(C)(C)C3)CC2)c1 ZINC000257322678 564055456 /nfs/dbraw/zinc/05/54/56/564055456.db2.gz WGYLMKIUMCSITP-UHFFFAOYSA-N 1 0 330.472 3.523 40 0 EHABRO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](C3CCC3)C[C@@H]21 ZINC000306129942 564062220 /nfs/dbraw/zinc/06/22/20/564062220.db2.gz IRFNKESBWFMDJM-WMZOPIPTSA-N 1 0 345.489 3.523 40 0 EHABRO c1coc(C[N@@H+]2CC[C@@]3(CN(Cc4ccccc4)c4cccnc43)C2)c1 ZINC000306132541 564062271 /nfs/dbraw/zinc/06/22/71/564062271.db2.gz LLQCXQYMFOAXGE-QFIPXVFZSA-N 1 0 345.446 3.839 40 0 EHABRO Cc1ccc(-c2cnc3n2C2(CC[NH+](CC4CC4)CC2)COC3)cc1 ZINC000306144361 564062406 /nfs/dbraw/zinc/06/24/06/564062406.db2.gz ZDJCVAIOJKRNDD-UHFFFAOYSA-N 1 0 337.467 3.590 40 0 EHABRO CCC[N@H+]1CC=C(c2nn3c(nnc3-c3ccc(C)cc3)s2)CC1 ZINC000226250203 564117218 /nfs/dbraw/zinc/11/72/18/564117218.db2.gz FQRXLFGWRPFXQK-UHFFFAOYSA-N 1 0 339.468 3.660 40 0 EHABRO O=C(Nc1c(F)cccc1F)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063624 564127616 /nfs/dbraw/zinc/12/76/16/564127616.db2.gz MQENMQNARVRXRJ-UHFFFAOYSA-N 1 0 348.368 3.955 40 0 EHABRO O=C1OC[C@@H]2CC[N@@H+](CC3CCCCC3)Cc3ccc(F)cc3N12 ZINC000225486418 564135216 /nfs/dbraw/zinc/13/52/16/564135216.db2.gz QFSHJMREGNKKNB-KRWDZBQOSA-N 1 0 332.419 3.937 40 0 biogenic,in-vitro EHABRO CC[NH+](CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001710804 209784540 /nfs/dbraw/zinc/78/45/40/209784540.db2.gz BEJYISOPDBBZRK-UHFFFAOYSA-N 1 0 343.492 3.524 40 0 EHABRO COCC[NH2+][C@@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 ZINC000001645615 209774003 /nfs/dbraw/zinc/77/40/03/209774003.db2.gz ODXRSRHKEHVMQZ-CQSZACIVSA-N 1 0 334.510 3.872 40 0 EHABRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000039750686 213241746 /nfs/dbraw/zinc/24/17/46/213241746.db2.gz FYLHZSYUDKRHJX-UHFFFAOYSA-N 1 0 334.463 3.796 40 0 EHABRO Cc1cccc(O[C@@H](C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000036092705 213061862 /nfs/dbraw/zinc/06/18/62/213061862.db2.gz ZACLFWBUOYVFJD-FCEWJHQRSA-N 1 0 346.515 3.555 40 0 EHABRO c1ccc2[nH]c(C3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000035315402 213020945 /nfs/dbraw/zinc/02/09/45/213020945.db2.gz JBPGIOITWVOGBS-INIZCTEOSA-N 1 0 349.434 3.582 40 0 EHABRO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@H+](CCc3ccccc3)[C@@H]2C1 ZINC000072330640 216155086 /nfs/dbraw/zinc/15/50/86/216155086.db2.gz SIFRKOGIWBFTAK-LEWJYISDSA-N 1 0 340.511 3.732 40 0 EHABRO Cn1cc(C[NH+]2CCC(c3cccc(Cc4ccccc4)n3)CC2)cn1 ZINC000072349970 216160565 /nfs/dbraw/zinc/16/05/65/216160565.db2.gz LEGGWIRROFPZTI-UHFFFAOYSA-N 1 0 346.478 3.786 40 0 EHABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072379087 216181905 /nfs/dbraw/zinc/18/19/05/216181905.db2.gz XZOVMJGYHPFTBQ-LJQANCHMSA-N 1 0 332.451 3.955 40 0 EHABRO CCc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225727620 242008408 /nfs/dbraw/zinc/00/84/08/242008408.db2.gz DLAHCYFPKKHARR-IYBDPMFKSA-N 1 0 333.545 3.903 40 0 EHABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225730679 242008944 /nfs/dbraw/zinc/00/89/44/242008944.db2.gz BTOGOJWWEWXADI-IBGZPJMESA-N 1 0 336.476 3.551 40 0 EHABRO C[N@H+](CCn1cncc1-c1c[nH]nc1-c1ccccc1)C1CCCC1 ZINC000019719564 212057702 /nfs/dbraw/zinc/05/77/02/212057702.db2.gz MUOFMIPYUDHZTA-UHFFFAOYSA-N 1 0 335.455 3.815 40 0 EHABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1cnn(-c2ccccc2)c1 ZINC000019719706 212056842 /nfs/dbraw/zinc/05/68/42/212056842.db2.gz ACHSCGBBFNOFLB-SFHVURJKSA-N 1 0 335.455 3.783 40 0 EHABRO Cc1cc(C)n(C2CC[NH+](Cc3cn(C)c4cc(F)ccc34)CC2)n1 ZINC000019656667 212052906 /nfs/dbraw/zinc/05/29/06/212052906.db2.gz SJERDSIITYZZKQ-UHFFFAOYSA-N 1 0 340.446 3.968 40 0 EHABRO COc1cccc(C(=O)N2CCC[C@H](c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000019564433 212044522 /nfs/dbraw/zinc/04/45/22/212044522.db2.gz RMOZWJWTBPTGIY-HNNXBMFYSA-N 1 0 335.407 3.591 40 0 EHABRO Cc1c(C[N@@H+](C)[C@@H](C)Cc2ccccn2)cnn1Cc1ccccc1 ZINC000019554473 212040470 /nfs/dbraw/zinc/04/04/70/212040470.db2.gz DQIMXMSIQOXRLV-KRWDZBQOSA-N 1 0 334.467 3.698 40 0 EHABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c(C)[nH]c2c1cccc2C ZINC000019500296 212033492 /nfs/dbraw/zinc/03/34/92/212033492.db2.gz XILNLXDRTFITQY-KRWDZBQOSA-N 1 0 341.499 3.708 40 0 EHABRO C[C@H](C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1ccccc1 ZINC000019456532 212030134 /nfs/dbraw/zinc/03/01/34/212030134.db2.gz RKRBCFGKEBIHOU-MRXNPFEDSA-N 1 0 343.434 3.685 40 0 EHABRO O[C@@H](C[N@@H+]1CCC[C@@H](COc2ccccc2F)C1)c1cccs1 ZINC000019350253 212019841 /nfs/dbraw/zinc/01/98/41/212019841.db2.gz QCNGGSIXHAHXHM-ZBFHGGJFSA-N 1 0 335.444 3.712 40 0 EHABRO Fc1ccc(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)cc1F ZINC000019292884 212013378 /nfs/dbraw/zinc/01/33/78/212013378.db2.gz GBSTVJVJCGHKBJ-UHFFFAOYSA-N 1 0 346.425 3.662 40 0 EHABRO C[C@H](Oc1cccc2ccccc21)C(=O)NCC[NH+]1CCCCCC1 ZINC000013709546 211616470 /nfs/dbraw/zinc/61/64/70/211616470.db2.gz NDLHINBNMZOJCQ-KRWDZBQOSA-N 1 0 340.467 3.599 40 0 EHABRO Cc1cc(-c2cnc(N[C@@H](C)C[NH+](C)C)nc2-c2cccs2)on1 ZINC000012155751 211309715 /nfs/dbraw/zinc/30/97/15/211309715.db2.gz WDBYYQLTHGZMFE-LBPRGKRZSA-N 1 0 343.456 3.531 40 0 EHABRO CC1(C)CC(N(Cc2c[nH]cn2)Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000012147055 211306726 /nfs/dbraw/zinc/30/67/26/211306726.db2.gz FVZPNOASNHEPDH-UHFFFAOYSA-N 1 0 344.478 3.860 40 0 EHABRO Cc1nn2c(nc(C)cc2NCCC[NH+](C)C)c1-c1ccc(C)cc1 ZINC000012113307 211292340 /nfs/dbraw/zinc/29/23/40/211292340.db2.gz KXHRACJEOYPBFU-UHFFFAOYSA-N 1 0 337.471 3.685 40 0 EHABRO Cc1ccc(C[NH+]2CC3(C2)CCN(Cc2csc(C)n2)C3)s1 ZINC000096046423 218532798 /nfs/dbraw/zinc/53/27/98/218532798.db2.gz LSQDBKZWLYAGJO-UHFFFAOYSA-N 1 0 333.526 3.529 40 0 EHABRO C[N@@H+]1CC[C@H](CSC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000005047905 210374357 /nfs/dbraw/zinc/37/43/57/210374357.db2.gz PHBXPVYYUPKNSU-OXJNMPFZSA-N 1 0 347.524 3.666 40 0 EHABRO COC(=O)C1=CCC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]12 ZINC000005048142 210374526 /nfs/dbraw/zinc/37/45/26/210374526.db2.gz DFDNBRUSLQYVNA-SOVGHPHASA-N 1 0 336.435 3.596 40 0 EHABRO CCc1c(C)nc2cc(-c3cccs3)nn2c1NCCC[NH+](C)C ZINC000004980831 210347608 /nfs/dbraw/zinc/34/76/08/210347608.db2.gz RBYWPICTEQUURB-UHFFFAOYSA-N 1 0 343.500 3.692 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)N(C)Cc2ccccc2)CC1 ZINC000039767592 257854905 /nfs/dbraw/zinc/85/49/05/257854905.db2.gz ZUWDXJBXIGPPIY-UHFFFAOYSA-N 1 0 336.479 3.866 40 0 EHABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063456 257862065 /nfs/dbraw/zinc/86/20/65/257862065.db2.gz TZFFSKHVZSUFLO-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO C[NH+]1CCC(N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213397 536339845 /nfs/dbraw/zinc/33/98/45/536339845.db2.gz CHKKSRHAGLSWMR-LJQANCHMSA-N 1 0 343.446 3.636 40 0 EHABRO CC[C@@]1(C)C[C@@](CC(=O)O[C@H](C)C[NH+](C)C)(c2ccccc2)CCO1 ZINC000001234513 563380537 /nfs/dbraw/zinc/38/05/37/563380537.db2.gz BQVOKFAZPLBWCA-JRGCBEDISA-N 1 0 347.499 3.787 40 0 EHABRO COc1ccc2c(c1O)[C@]13CC=[NH+][C@H](C2)[C@H]1C(C)(C)C(C)(C)C(=O)C3 ZINC000001581091 563393903 /nfs/dbraw/zinc/39/39/03/563393903.db2.gz YZUICYYRVXDGNI-LZHZSBQWSA-N 1 0 341.451 3.679 40 0 EHABRO C[N@@H+]1CC[C@@H](CSC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000001710813 563406169 /nfs/dbraw/zinc/40/61/69/563406169.db2.gz PHBXPVYYUPKNSU-OXQOHEQNSA-N 1 0 347.524 3.666 40 0 EHABRO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000008254541 563625140 /nfs/dbraw/zinc/62/51/40/563625140.db2.gz PGQWIJWRSXJELB-AWEZNQCLSA-N 1 0 349.858 3.788 40 0 EHABRO CCOc1cccc(C[NH2+][C@@H](CC)CO)c1OCc1ccccc1 ZINC000008326394 563626918 /nfs/dbraw/zinc/62/69/18/563626918.db2.gz SFRFBFNQZASCNW-SFHVURJKSA-N 1 0 329.440 3.525 40 0 EHABRO CC(C)(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291605 563657303 /nfs/dbraw/zinc/65/73/03/563657303.db2.gz KKYWGPWHWILZMQ-LJQANCHMSA-N 1 0 344.499 3.531 40 0 EHABRO Fc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047594 563978288 /nfs/dbraw/zinc/97/82/88/563978288.db2.gz XWDSOENHFAHJIU-UXHICEINSA-N 1 0 344.405 3.810 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)o1 ZINC000096047854 563978344 /nfs/dbraw/zinc/97/83/44/563978344.db2.gz IPDHQLFIKCMQCU-FQEVSTJZSA-N 1 0 341.451 3.928 40 0 EHABRO Fc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053871 563978683 /nfs/dbraw/zinc/97/86/83/563978683.db2.gz PNYZITIRFMNGIG-QZTJIDSGSA-N 1 0 328.406 3.529 40 0 EHABRO c1csc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)n1 ZINC000096061587 563978955 /nfs/dbraw/zinc/97/89/55/563978955.db2.gz RJYSRTXOGVIMCC-ZWKOTPCHSA-N 1 0 328.481 3.755 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)s1 ZINC000096070675 563979023 /nfs/dbraw/zinc/97/90/23/563979023.db2.gz ZYBVIJDYJCGYSQ-CWRNSKLLSA-N 1 0 345.468 3.669 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)s1 ZINC000096199590 563980115 /nfs/dbraw/zinc/98/01/15/563980115.db2.gz XGOAXWXMNBVDHR-GOSISDBHSA-N 1 0 340.492 3.695 40 0 EHABRO CCNC(=O)C[C@@H]1CC2(CC[NH+](CC(C)C)CC2)c2cc(F)ccc21 ZINC000096241823 563980501 /nfs/dbraw/zinc/98/05/01/563980501.db2.gz VDTWSCOJYJUBKF-MRXNPFEDSA-N 1 0 346.490 3.829 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([N@H+](C)Cc3ccc(F)cc3)[C@H]2O)c1 ZINC000585288688 563982077 /nfs/dbraw/zinc/98/20/77/563982077.db2.gz HQRRAVMMYOBLJJ-PWRODBHTSA-N 1 0 343.442 3.927 40 0 EHABRO c1ccc(OCC[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369825 563990977 /nfs/dbraw/zinc/99/09/77/563990977.db2.gz UTQWPTJYMWRNEY-QGZVFWFLSA-N 1 0 335.407 3.605 40 0 EHABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169826 564032619 /nfs/dbraw/zinc/03/26/19/564032619.db2.gz BXONPLMDLUDDNU-KRWDZBQOSA-N 1 0 337.398 3.789 40 0 biogenic,in-vitro EHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225602423 564048268 /nfs/dbraw/zinc/04/82/68/564048268.db2.gz ZKOHZWUWNCKPNY-FQEVSTJZSA-N 1 0 348.487 3.695 40 0 EHABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225618411 564048503 /nfs/dbraw/zinc/04/85/03/564048503.db2.gz LECWSRIQJTZQBV-FQEVSTJZSA-N 1 0 348.487 3.695 40 0 EHABRO Cc1ccc(C[N@@H+]2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)cn1 ZINC000257283971 564054682 /nfs/dbraw/zinc/05/46/82/564054682.db2.gz PASAVNBNXYHKNL-LJQANCHMSA-N 1 0 335.451 3.562 40 0 EHABRO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3C3CCCCC3)n2)cc1F ZINC000015674306 564070513 /nfs/dbraw/zinc/07/05/13/564070513.db2.gz GOMIPRYIWJLZMV-WBVHZDCISA-N 1 0 345.418 3.625 40 0 biogenic,in-vitro EHABRO Cc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329021388 564071625 /nfs/dbraw/zinc/07/16/25/564071625.db2.gz OHCRWFLPHUYUGM-UHFFFAOYSA-N 1 0 336.483 3.863 40 0 EHABRO CC[C@@H](C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc(C)[nH+]1 ZINC000329056045 564071969 /nfs/dbraw/zinc/07/19/69/564071969.db2.gz VQNDOZYMPCHOBP-GFCCVEGCSA-N 1 0 330.863 3.633 40 0 EHABRO CC(C)(C)Nc1nc(NCc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329061855 564072018 /nfs/dbraw/zinc/07/20/18/564072018.db2.gz WVEHFMFZPMKDPI-UHFFFAOYSA-N 1 0 332.398 3.877 40 0 EHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)CCc1cccc(Cl)c1 ZINC000019712487 564128042 /nfs/dbraw/zinc/12/80/42/564128042.db2.gz CYHCLUQKKNUSTQ-ZWKOTPCHSA-N 1 0 334.891 3.748 40 0 EHABRO O=C1N(CCc2ccccc2)CC=CCC12CC[NH+](CC1CC1)CC2 ZINC000019744743 564128091 /nfs/dbraw/zinc/12/80/91/564128091.db2.gz UANBUORCQWKQQU-UHFFFAOYSA-N 1 0 338.495 3.510 40 0 EHABRO Cc1ccccc1O[C@H]1CCCC[C@H]1[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714563 564150418 /nfs/dbraw/zinc/15/04/18/564150418.db2.gz AYRHIEIVWIXGOF-HDAAZOAOSA-N 1 0 328.500 3.901 40 0 EHABRO C[Si](C)(C)Nc1nc(N[Si](C)(C)C)[nH+]c(N[Si](C)(C)C)n1 ZINC000169806417 1017013942 /nfs/dbraw/zinc/01/39/42/1017013942.db2.gz FEXRJAVEEPAMFE-UHFFFAOYSA-N 1 0 342.672 3.612 40 0 EHABRO CC(C)(C)OC(=O)NCC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000098213585 219087902 /nfs/dbraw/zinc/08/79/02/219087902.db2.gz PAIZSZVBTFSLRT-UHFFFAOYSA-N 1 0 338.879 3.777 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000100749997 219105883 /nfs/dbraw/zinc/10/58/83/219105883.db2.gz FSGZPJWEYRTKGC-FUHIMQAGSA-N 1 0 329.488 3.584 40 0 EHABRO C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccco2)[C@@H]1c1cccs1 ZINC000104145447 219352807 /nfs/dbraw/zinc/35/28/07/219352807.db2.gz OLGQEWYLKUJKMS-MFUPGOHSSA-N 1 0 330.453 3.554 40 0 EHABRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000039762239 213242010 /nfs/dbraw/zinc/24/20/10/213242010.db2.gz MUXIEHNFBVMUSM-UHFFFAOYSA-N 1 0 334.463 3.796 40 0 EHABRO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446699 213028770 /nfs/dbraw/zinc/02/87/70/213028770.db2.gz LYCWJOGHXXWECF-LBPRGKRZSA-N 1 0 346.356 3.966 40 0 biogenic,in-vitro EHABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 ZINC000035446602 213029233 /nfs/dbraw/zinc/02/92/33/213029233.db2.gz GSUUDDCXAMPFMB-AWEZNQCLSA-N 1 0 325.387 3.700 40 0 biogenic,in-vitro EHABRO O=C(OCc1cccc(F)c1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072202945 216069002 /nfs/dbraw/zinc/06/90/02/216069002.db2.gz CABRUFOYPPYKTB-UHFFFAOYSA-N 1 0 345.389 3.920 40 0 EHABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072366770 216171705 /nfs/dbraw/zinc/17/17/05/216171705.db2.gz OHTUGUDILZUIKQ-LJQANCHMSA-N 1 0 348.450 3.921 40 0 EHABRO CCc1nnc(Nc2cccc(C3CC[NH+](CC4CC4)CC3)n2)s1 ZINC000072376152 216179753 /nfs/dbraw/zinc/17/97/53/216179753.db2.gz ICCJVRBQNFYDJP-UHFFFAOYSA-N 1 0 343.500 3.829 40 0 EHABRO Cc1nccn1-c1cccc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000072379094 216180373 /nfs/dbraw/zinc/18/03/73/216180373.db2.gz PONCHOMDAWCUJI-UHFFFAOYSA-N 1 0 332.451 3.955 40 0 EHABRO CC(C)CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CC[NH2+]C1 ZINC000072391920 216191459 /nfs/dbraw/zinc/19/14/59/216191459.db2.gz BETNWHSWEWBAJC-QFIPXVFZSA-N 1 0 336.479 3.648 40 0 EHABRO Clc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000072389885 216189470 /nfs/dbraw/zinc/18/94/70/216189470.db2.gz QBFQXWAFESYXMS-HNNXBMFYSA-N 1 0 340.814 3.775 40 0 EHABRO O[C@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000022407968 212295237 /nfs/dbraw/zinc/29/52/37/212295237.db2.gz LRUYSYNETWHKFM-FQEVSTJZSA-N 1 0 341.862 3.990 40 0 EHABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1F ZINC000225400146 241843808 /nfs/dbraw/zinc/84/38/08/241843808.db2.gz JBMQWBXWBFRDNS-UHFFFAOYSA-N 1 0 327.444 3.517 40 0 EHABRO Fc1cccc(F)c1NC(=S)NCCC[NH+]1CCCCCC1 ZINC000225400081 241843863 /nfs/dbraw/zinc/84/38/63/241843863.db2.gz DNDZZLCMEPJLFU-UHFFFAOYSA-N 1 0 327.444 3.517 40 0 EHABRO c1cncc(COCC[C@H]2CCOC23CC[NH+](CC2CCC2)CC3)c1 ZINC000248338221 243560947 /nfs/dbraw/zinc/56/09/47/243560947.db2.gz RCOZJPJAHMDCKU-FQEVSTJZSA-N 1 0 344.499 3.660 40 0 EHABRO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCc1ccncc1)CS2 ZINC000253599805 244030462 /nfs/dbraw/zinc/03/04/62/244030462.db2.gz UWNVKLGLKYJLPD-INIZCTEOSA-N 1 0 346.521 3.728 40 0 EHABRO COc1ccc(CC[NH2+]Cc2cc(C3CC3)nn2C(C)C)cc1OC ZINC000256053265 244065871 /nfs/dbraw/zinc/06/58/71/244065871.db2.gz QTSXTIMDVPCNLV-UHFFFAOYSA-N 1 0 343.471 3.691 40 0 EHABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3nccc4ccccc43)C2)c1 ZINC000257244333 244253091 /nfs/dbraw/zinc/25/30/91/244253091.db2.gz IKVDIYDLLLOMBJ-MRXNPFEDSA-N 1 0 346.434 3.610 40 0 EHABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020049687 212098186 /nfs/dbraw/zinc/09/81/86/212098186.db2.gz VZFWNHMTWRNIDK-LJQANCHMSA-N 1 0 346.515 3.843 40 0 EHABRO CCn1c(C)nc2cc(NC(=O)c3ccc(C[NH+](C)C)cc3)ccc21 ZINC000019657487 212054456 /nfs/dbraw/zinc/05/44/56/212054456.db2.gz STSFJJXTXVOBPJ-UHFFFAOYSA-N 1 0 336.439 3.679 40 0 EHABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccccn1 ZINC000019590195 212049062 /nfs/dbraw/zinc/04/90/62/212049062.db2.gz CBKQBDBWQNGMQS-HMXCVIKNSA-N 1 0 349.478 3.564 40 0 EHABRO Cc1cc(N(C)C)cc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)[nH+]1 ZINC000019570264 212044112 /nfs/dbraw/zinc/04/41/12/212044112.db2.gz NPFUMKBWXOOYSK-MRXNPFEDSA-N 1 0 341.430 3.615 40 0 EHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019554929 212040870 /nfs/dbraw/zinc/04/08/70/212040870.db2.gz YGLUDMUXRWIHLM-AWEZNQCLSA-N 1 0 341.436 3.796 40 0 EHABRO CCc1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019523464 212036367 /nfs/dbraw/zinc/03/63/67/212036367.db2.gz OZZHJCJGNODWPA-FMWKFLBASA-N 1 0 337.467 3.720 40 0 EHABRO CC(C)CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](CC(C)C)CC1 ZINC000019446676 212028909 /nfs/dbraw/zinc/02/89/09/212028909.db2.gz LWOGNFUEOISPSC-HXUWFJFHSA-N 1 0 331.504 3.653 40 0 EHABRO Fc1ccccc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000019359625 212021205 /nfs/dbraw/zinc/02/12/05/212021205.db2.gz IGDFWYYHCWZVKF-UHFFFAOYSA-N 1 0 328.475 3.768 40 0 EHABRO COc1c(C)cccc1C(=O)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019235822 212006783 /nfs/dbraw/zinc/00/67/83/212006783.db2.gz MAQXJPFEBNIBRO-UHFFFAOYSA-N 1 0 349.434 3.900 40 0 EHABRO Cn1nc(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)c2cccnc21 ZINC000012186680 211312947 /nfs/dbraw/zinc/31/29/47/211312947.db2.gz APJQATLKSGLPAN-UHFFFAOYSA-N 1 0 342.393 3.626 40 0 EHABRO O[C@H](C[C@H]1CCC[C@H](C[C@H](O)c2ccccc2)[NH2+]1)c1ccccc1 ZINC000004974920 210345375 /nfs/dbraw/zinc/34/53/75/210345375.db2.gz UMXDEQATKLAHCQ-NCYKPQTJSA-N 1 0 325.452 3.745 40 0 EHABRO C[N@H+](CCO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918440 221204054 /nfs/dbraw/zinc/20/40/54/221204054.db2.gz NINCEUANGIAEBE-JOFXYRRGSA-N 1 0 349.559 3.683 40 0 EHABRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009063005 257862526 /nfs/dbraw/zinc/86/25/26/257862526.db2.gz REECFQFKUXINTN-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)nc1 ZINC000257231814 536020790 /nfs/dbraw/zinc/02/07/90/536020790.db2.gz GIHJJNWRAOUXDD-NRFANRHFSA-N 1 0 349.478 3.609 40 0 EHABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2cccs2)n1 ZINC000257217324 536040643 /nfs/dbraw/zinc/04/06/43/536040643.db2.gz CYLZXYWSNSTPGB-DOJUMQAQSA-N 1 0 341.480 3.582 40 0 EHABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000000001315 563211369 /nfs/dbraw/zinc/21/13/69/563211369.db2.gz IUTYUDPWXQZWTH-YOFSQIOKSA-N 1 0 335.447 3.987 40 0 EHABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCCCCC1 ZINC000000212253 563261223 /nfs/dbraw/zinc/26/12/23/563261223.db2.gz AMOVUYFZCHTGNU-KRWDZBQOSA-N 1 0 334.891 3.955 40 0 EHABRO CC[NH+](CC)C[C@@H](Oc1ccccc1OC)C(=O)c1ccccc1 ZINC000001706435 563405696 /nfs/dbraw/zinc/40/56/96/563405696.db2.gz BNVUDMKWTPDKAX-LJQANCHMSA-N 1 0 327.424 3.667 40 0 EHABRO C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CC[NH+]=C5CC[C@]4(C)[C@H]3CC[C@]21C ZINC000006268589 563563275 /nfs/dbraw/zinc/56/32/75/563563275.db2.gz IYTWAYCUKKPIHQ-OASUUKCRSA-N 1 0 328.500 3.982 40 0 in-vitro EHABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008326335 563626807 /nfs/dbraw/zinc/62/68/07/563626807.db2.gz FHBXMYORIMAJEK-KRWDZBQOSA-N 1 0 349.858 3.788 40 0 EHABRO Cc1nc2cc(-c3ccco3)nn2c(NCC(C)(C)C[NH+](C)C)c1C ZINC000012743682 563669794 /nfs/dbraw/zinc/66/97/94/563669794.db2.gz GHQFQDPKIZBLNL-UHFFFAOYSA-N 1 0 341.459 3.606 40 0 EHABRO CC(C)(C)c1ccc(CCC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013612114 563703575 /nfs/dbraw/zinc/70/35/75/563703575.db2.gz RBBAPTTZNGTKCZ-UHFFFAOYSA-N 1 0 330.516 3.909 40 0 EHABRO CC(C)(C)CC(=O)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019082654 563853547 /nfs/dbraw/zinc/85/35/47/563853547.db2.gz PSAKFRMXGVIDOJ-QWFCFKBJSA-N 1 0 328.500 3.949 40 0 EHABRO Cc1cnc(-c2nc([C@H]3CCC[N@H+](Cc4ccccc4C)C3)no2)cn1 ZINC000019237186 563855406 /nfs/dbraw/zinc/85/54/06/563855406.db2.gz SFZRCYUQOPFDDH-KRWDZBQOSA-N 1 0 349.438 3.523 40 0 EHABRO CC(C)C(NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)C(C)C ZINC000039767348 563900473 /nfs/dbraw/zinc/90/04/73/563900473.db2.gz XWGCZRCLHKTXKC-UHFFFAOYSA-N 1 0 334.479 3.835 40 0 EHABRO C[C@H](CNC(=S)Nc1ccc(F)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000032555865 563913884 /nfs/dbraw/zinc/91/38/84/563913884.db2.gz MTXCBTXXMODSJQ-GFCCVEGCSA-N 1 0 343.899 3.886 40 0 EHABRO Clc1nc2cc3c(cc2cc1C[NH2+]CCc1ccccc1)OCO3 ZINC000013535461 563929484 /nfs/dbraw/zinc/92/94/84/563929484.db2.gz XHHCNIIFALBHLH-UHFFFAOYSA-N 1 0 340.810 3.949 40 0 EHABRO COC(=O)[C@@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072341115 563966419 /nfs/dbraw/zinc/96/64/19/563966419.db2.gz FGXSYQLGFKLQMK-LVCYWYKZSA-N 1 0 341.451 3.508 40 0 EHABRO Cc1ncsc1C[N@H+]1Cc2cccn2C[C@@H](CCOCC2CC2)C1 ZINC000585095603 563971318 /nfs/dbraw/zinc/97/13/18/563971318.db2.gz ZSQZCJBLCBHZMV-KRWDZBQOSA-N 1 0 345.512 3.702 40 0 EHABRO O=C(N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1)C1(F)CC1 ZINC000585100419 563971339 /nfs/dbraw/zinc/97/13/39/563971339.db2.gz UCEOTGOBDJCUFW-LJQANCHMSA-N 1 0 348.437 3.675 40 0 EHABRO Cc1cccc(CO[C@H]2CSC3(C[NH+](Cc4cccs4)C3)C2)n1 ZINC000585103662 563971442 /nfs/dbraw/zinc/97/14/42/563971442.db2.gz CGPZOLXFAXRHCT-MRXNPFEDSA-N 1 0 346.521 3.728 40 0 EHABRO Cc1nc([C@H]2C[C@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3O2)sc1C ZINC000096045998 563977957 /nfs/dbraw/zinc/97/79/57/563977957.db2.gz XXYJMIXPPTZZKK-YESZJQIVSA-N 1 0 329.469 3.507 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)s1 ZINC000096047779 563978386 /nfs/dbraw/zinc/97/83/86/563978386.db2.gz MMBRXBWGXZKXHO-QGZVFWFLSA-N 1 0 328.481 3.990 40 0 EHABRO O=C1C[C@@]2(CC[N@H+](Cc3cccs3)C2)CN1c1cccc(F)c1 ZINC000096050712 563978515 /nfs/dbraw/zinc/97/85/15/563978515.db2.gz UOOZOFXDBYSZMD-GOSISDBHSA-N 1 0 330.428 3.516 40 0 EHABRO c1cc(C[NH+]2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)cs1 ZINC000096106083 563979220 /nfs/dbraw/zinc/97/92/20/563979220.db2.gz UAJGLAVHAGDFRY-GOSISDBHSA-N 1 0 344.480 3.593 40 0 EHABRO O=C(c1cccc(Cl)c1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096159388 563979790 /nfs/dbraw/zinc/97/97/90/563979790.db2.gz UMYABWLPSVSZPH-UHFFFAOYSA-N 1 0 332.875 3.821 40 0 EHABRO Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccco3)[C@H]2C1 ZINC000107746097 563984167 /nfs/dbraw/zinc/98/41/67/563984167.db2.gz QBOZYILEXJSWSU-SZMVWBNQSA-N 1 0 342.439 3.554 40 0 EHABRO COc1cccc(-c2noc([C@H]3CC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000072369862 563991000 /nfs/dbraw/zinc/99/10/00/563991000.db2.gz SXOFTQNAYDPANS-SFHVURJKSA-N 1 0 349.434 3.777 40 0 EHABRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)cc1 ZINC000049168812 564032511 /nfs/dbraw/zinc/03/25/11/564032511.db2.gz DGLZYGYWNQHBTH-ZDUSSCGKSA-N 1 0 346.356 3.966 40 0 biogenic,in-vitro EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(OC)c1 ZINC000225580809 564048000 /nfs/dbraw/zinc/04/80/00/564048000.db2.gz CETYISPNECPYQM-MRXNPFEDSA-N 1 0 335.517 3.636 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1c(F)cccc1F ZINC000225582403 564048006 /nfs/dbraw/zinc/04/80/06/564048006.db2.gz LVOANNZBEYEXKS-ZDUSSCGKSA-N 1 0 341.471 3.906 40 0 EHABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)ccn1 ZINC000257323105 564055463 /nfs/dbraw/zinc/05/54/63/564055463.db2.gz WIUJKCAPYJNWQF-FQEVSTJZSA-N 1 0 348.450 3.602 40 0 EHABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@@H+]2C2CCOCC2)nc1 ZINC000257333510 564055613 /nfs/dbraw/zinc/05/56/13/564055613.db2.gz YBVZQGPHXVFTAO-GOSISDBHSA-N 1 0 327.428 3.669 40 0 EHABRO Cc1ncsc1C[N@H+]1CCC[C@H]1c1cccc(-c2cncn2C)n1 ZINC000257334816 564055662 /nfs/dbraw/zinc/05/56/62/564055662.db2.gz YHMIXYQJKYHLSW-INIZCTEOSA-N 1 0 339.468 3.584 40 0 EHABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3ccc4ccccc4n3)CCC[C@@]21C ZINC000257339946 564055789 /nfs/dbraw/zinc/05/57/89/564055789.db2.gz ZDWPASPQRZBQLC-FPOVZHCZSA-N 1 0 337.467 3.714 40 0 EHABRO CCOc1ccc(C[NH+]2CCC(C)(c3nccs3)CC2)cc1CO ZINC000257344324 564055829 /nfs/dbraw/zinc/05/58/29/564055829.db2.gz ZWSCWHHFGFSWOQ-UHFFFAOYSA-N 1 0 346.496 3.588 40 0 EHABRO C[C@]12C[C@@H](c3ccccc3)N(C(=O)c3ccccn3)[C@H]1CCCCC[NH2+]2 ZINC000019713507 564058001 /nfs/dbraw/zinc/05/80/01/564058001.db2.gz GIRNVQHTXVIDRB-ONTIZHBOSA-N 1 0 349.478 3.960 40 0 EHABRO Fc1cccc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306129804 564062195 /nfs/dbraw/zinc/06/21/95/564062195.db2.gz INLOTNQKIDUMJG-MOPGFXCFSA-N 1 0 347.437 3.994 40 0 EHABRO c1cc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)cs1 ZINC000306138284 564062344 /nfs/dbraw/zinc/06/23/44/564062344.db2.gz RUEIFCZMGVIEFB-QZTJIDSGSA-N 1 0 335.476 3.916 40 0 EHABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)s1 ZINC000306143342 564062379 /nfs/dbraw/zinc/06/23/79/564062379.db2.gz XZQWBHARQRYLHK-WBVHZDCISA-N 1 0 336.464 3.544 40 0 EHABRO c1csc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328963859 564070961 /nfs/dbraw/zinc/07/09/61/564070961.db2.gz BSAKUDMHKMCXEU-UHFFFAOYSA-N 1 0 328.485 3.616 40 0 EHABRO CC(C)(C)Nc1nc(NCc2cc(F)cc(F)c2)cc(C2CC2)[nH+]1 ZINC000328967210 564071037 /nfs/dbraw/zinc/07/10/37/564071037.db2.gz CQVCQTQNPCZUAH-UHFFFAOYSA-N 1 0 332.398 3.877 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000016606737 564090642 /nfs/dbraw/zinc/09/06/42/564090642.db2.gz UCYSKLHQNBHXCM-ILZDJORESA-N 1 0 326.484 3.512 40 0 EHABRO CC(C)(C)c1ccc(CCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000010434375 564127817 /nfs/dbraw/zinc/12/78/17/564127817.db2.gz VDVLTZBWGFMFOQ-UHFFFAOYSA-N 1 0 330.516 3.909 40 0 EHABRO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@H]3CCCC[C@@H]32)cc1 ZINC000252515467 564133805 /nfs/dbraw/zinc/13/38/05/564133805.db2.gz KHCKVAHSJRUZNI-XSDIEEQYSA-N 1 0 328.500 3.731 40 0 EHABRO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000057989849 214468301 /nfs/dbraw/zinc/46/83/01/214468301.db2.gz YTXKCDZSBCXIHC-INIZCTEOSA-N 1 0 338.451 3.782 40 0 EHABRO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755556 213753756 /nfs/dbraw/zinc/75/37/56/213753756.db2.gz KQOGJARNBFKSCA-UHFFFAOYSA-N 1 0 344.846 3.521 40 0 EHABRO O=C(Cc1cccc(Cl)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000067906053 215247211 /nfs/dbraw/zinc/24/72/11/215247211.db2.gz UMZWGSJICLQUSM-UHFFFAOYSA-N 1 0 342.870 3.795 40 0 EHABRO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000035426102 213027733 /nfs/dbraw/zinc/02/77/33/213027733.db2.gz XNLRJOWZNSVXSG-HNNXBMFYSA-N 1 0 327.432 3.643 40 0 biogenic,in-vitro EHABRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000035446657 213029469 /nfs/dbraw/zinc/02/94/69/213029469.db2.gz CZCVZFBZFBXGGJ-INIZCTEOSA-N 1 0 334.423 3.511 40 0 biogenic,in-vitro EHABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000072355666 216163718 /nfs/dbraw/zinc/16/37/18/216163718.db2.gz SFMLPNLRJJQLNJ-GOSISDBHSA-N 1 0 333.439 3.562 40 0 EHABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378665 216181333 /nfs/dbraw/zinc/18/13/33/216181333.db2.gz VBOUGGBPGJGUSF-GOSISDBHSA-N 1 0 333.439 3.562 40 0 EHABRO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[NH2+]C1 ZINC000072391937 216191304 /nfs/dbraw/zinc/19/13/04/216191304.db2.gz JYKUODXHOSGJOL-HXUWFJFHSA-N 1 0 342.508 3.710 40 0 EHABRO Cc1cc(C)cc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225726420 242004881 /nfs/dbraw/zinc/00/48/81/242004881.db2.gz FYHNNORIXHVHPI-IRXDYDNUSA-N 1 0 333.545 3.958 40 0 EHABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000257229961 244209438 /nfs/dbraw/zinc/20/94/38/244209438.db2.gz GADLWIVPOWZNGZ-OAHLLOKOSA-N 1 0 349.413 3.888 40 0 EHABRO CC[NH+]1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000020192863 212109316 /nfs/dbraw/zinc/10/93/16/212109316.db2.gz FFUNCPDGSUPTDM-NRFANRHFSA-N 1 0 334.467 3.598 40 0 EHABRO CC(C)n1cc(-c2nccnc2C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257258534 244291291 /nfs/dbraw/zinc/29/12/91/244291291.db2.gz KUKQGHHTGCBKPB-INIZCTEOSA-N 1 0 327.476 3.584 40 0 EHABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000257264160 244355807 /nfs/dbraw/zinc/35/58/07/244355807.db2.gz LTEFHVCQBQVKFY-IBGZPJMESA-N 1 0 338.499 3.708 40 0 EHABRO CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@@H+]2Cc1ccncc1 ZINC000257315423 244501466 /nfs/dbraw/zinc/50/14/66/244501466.db2.gz VBGMRNSPPYGRCA-FDFHNCONSA-N 1 0 349.478 3.798 40 0 EHABRO CC(C)(C)C[NH+]1CCC(c2cncc(Nc3ccccn3)n2)CC1 ZINC000257331939 244552940 /nfs/dbraw/zinc/55/29/40/244552940.db2.gz XUZDAXBBTVLTHO-UHFFFAOYSA-N 1 0 325.460 3.841 40 0 EHABRO Cc1[nH]c2ccccc2c1Cc1cc(N[C@@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000019655572 212053148 /nfs/dbraw/zinc/05/31/48/212053148.db2.gz JWUQNZJJSQNHLW-MRXNPFEDSA-N 1 0 349.482 3.672 40 0 EHABRO C[NH+](C)CCN(Cc1ccncc1)Cc1ccccc1C(F)(F)F ZINC000019582720 212047705 /nfs/dbraw/zinc/04/77/05/212047705.db2.gz YTTQCDPJPKFTIW-UHFFFAOYSA-N 1 0 337.389 3.664 40 0 EHABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019557584 212042492 /nfs/dbraw/zinc/04/24/92/212042492.db2.gz AUMKXFZCRHJWFM-WOZUAGRISA-N 1 0 327.468 3.904 40 0 EHABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344685 212017550 /nfs/dbraw/zinc/01/75/50/212017550.db2.gz MRCAFUMHGYKXIU-ZDUSSCGKSA-N 1 0 329.400 3.927 40 0 EHABRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000012292455 211335056 /nfs/dbraw/zinc/33/50/56/211335056.db2.gz YWYREWVIGHWIDF-IBGZPJMESA-N 1 0 345.870 3.665 40 0 EHABRO C[N@H+](CCN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918352 221203998 /nfs/dbraw/zinc/20/39/98/221203998.db2.gz NDAWUPLIPPNPGL-KGIOUCCPSA-N 1 0 348.575 3.649 40 0 EHABRO C[N@H+](CCO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918443 221204022 /nfs/dbraw/zinc/20/40/22/221204022.db2.gz NINCEUANGIAEBE-ILEJNFISSA-N 1 0 349.559 3.683 40 0 EHABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2ccccc2)c1 ZINC000257262416 536022627 /nfs/dbraw/zinc/02/26/27/536022627.db2.gz LLHQTRNCSZCMDB-UHFFFAOYSA-N 1 0 345.446 3.740 40 0 EHABRO O=C(CCc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447536 563602370 /nfs/dbraw/zinc/60/23/70/563602370.db2.gz AJUJCKLDQKEAJD-UHFFFAOYSA-N 1 0 336.479 3.922 40 0 EHABRO CCOc1c(Br)cc(C[NH2+]C2CCCC2)cc1OC ZINC000008253332 563624738 /nfs/dbraw/zinc/62/47/38/563624738.db2.gz HTCFSISNEUAVRK-UHFFFAOYSA-N 1 0 328.250 3.889 40 0 EHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc3c(cc2C)OCO3)on1 ZINC000019125598 563854041 /nfs/dbraw/zinc/85/40/41/563854041.db2.gz RDAKGGNTVPVRCO-WMLDXEAASA-N 1 0 328.412 3.521 40 0 EHABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000044884835 563927414 /nfs/dbraw/zinc/92/74/14/563927414.db2.gz KEQSSNRKEIOQLF-SFHVURJKSA-N 1 0 346.515 3.816 40 0 EHABRO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044912327 563928309 /nfs/dbraw/zinc/92/83/09/563928309.db2.gz NMKNOZZMCXGZKE-LJQANCHMSA-N 1 0 340.442 3.663 40 0 EHABRO C[C@H](CC(=O)c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000061860612 563951240 /nfs/dbraw/zinc/95/12/40/563951240.db2.gz IUUAHALRMYQMQD-MRXNPFEDSA-N 1 0 326.415 3.609 40 0 EHABRO CC(C)C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100632 563971349 /nfs/dbraw/zinc/97/13/49/563971349.db2.gz QXVHTVYFHBPGAB-FQEVSTJZSA-N 1 0 332.463 3.829 40 0 EHABRO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@@H+]4C)CC3)oc21 ZINC000585099977 563971449 /nfs/dbraw/zinc/97/14/49/563971449.db2.gz BUTAKFOHVOQPSV-HXUWFJFHSA-N 1 0 342.439 3.532 40 0 EHABRO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(F)cc1Cl ZINC000585109132 563971675 /nfs/dbraw/zinc/97/16/75/563971675.db2.gz XNYRNYBAQQTPPV-IRXDYDNUSA-N 1 0 338.854 3.700 40 0 EHABRO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccco4)C[C@H]3O2)n1 ZINC000096046390 563978091 /nfs/dbraw/zinc/97/80/91/563978091.db2.gz GUUZZHYFEFPYEL-JCGIZDLHSA-N 1 0 327.428 3.545 40 0 EHABRO Fc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)cc1 ZINC000096047781 563978327 /nfs/dbraw/zinc/97/83/27/563978327.db2.gz QQQLWNIRENULMJ-SFHVURJKSA-N 1 0 326.415 3.759 40 0 EHABRO c1coc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)c1 ZINC000096047843 563978363 /nfs/dbraw/zinc/97/83/63/563978363.db2.gz VAQLFXSRGFRUCA-IBGZPJMESA-N 1 0 327.424 3.620 40 0 EHABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1cccs1)C2 ZINC000096050611 563978527 /nfs/dbraw/zinc/97/85/27/563978527.db2.gz OUMSEOHVYSPQCX-IBGZPJMESA-N 1 0 344.455 3.512 40 0 EHABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096050615 563978549 /nfs/dbraw/zinc/97/85/49/563978549.db2.gz AIBQLIQQLHMOJE-IBGZPJMESA-N 1 0 344.455 3.512 40 0 EHABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@@H]12 ZINC000096058444 563978804 /nfs/dbraw/zinc/97/88/04/563978804.db2.gz MCCIKYFKNXEUPM-UXHICEINSA-N 1 0 340.492 3.513 40 0 EHABRO c1csc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2ccsc2)C3)c1 ZINC000096062392 563978981 /nfs/dbraw/zinc/97/89/81/563978981.db2.gz GVZVYQXXWZSODW-GOSISDBHSA-N 1 0 348.537 3.534 40 0 EHABRO O=C(c1ccccc1F)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096156945 563979758 /nfs/dbraw/zinc/97/97/58/563979758.db2.gz HDGHTLLMODIPBE-UHFFFAOYSA-N 1 0 344.817 3.761 40 0 EHABRO c1cncc(COC[C@@H]2COCCC23CC[NH+](C2CCCC2)CC3)c1 ZINC000096208415 563980167 /nfs/dbraw/zinc/98/01/67/563980167.db2.gz RQRZIYAUXUCNBX-IBGZPJMESA-N 1 0 344.499 3.660 40 0 EHABRO CC(C)C[NH+]1CCC2(C[C@@H](CC(=O)N(C)C)c3ccc(F)cc32)CC1 ZINC000096241830 563980499 /nfs/dbraw/zinc/98/04/99/563980499.db2.gz QBFSCGMNJHRDKN-MRXNPFEDSA-N 1 0 346.490 3.781 40 0 EHABRO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)c1 ZINC000585288700 563982053 /nfs/dbraw/zinc/98/20/53/563982053.db2.gz HYWOHYXDHWFJBL-PWRODBHTSA-N 1 0 343.442 3.627 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107730578 563984121 /nfs/dbraw/zinc/98/41/21/563984121.db2.gz DPHIXUKXHVKHPN-MJGOQNOKSA-N 1 0 344.480 3.654 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000107728360 563984151 /nfs/dbraw/zinc/98/41/51/563984151.db2.gz PWISKJJIVVAGDI-IEBWSBKVSA-N 1 0 330.403 3.573 40 0 EHABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)co1 ZINC000107752077 563984154 /nfs/dbraw/zinc/98/41/54/563984154.db2.gz ZPCCGJGMBOWHNR-UXHICEINSA-N 1 0 333.472 3.858 40 0 EHABRO c1ccc(OCC[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369826 563990980 /nfs/dbraw/zinc/99/09/80/563990980.db2.gz UTQWPTJYMWRNEY-KRWDZBQOSA-N 1 0 335.407 3.605 40 0 EHABRO CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000006629552 563992948 /nfs/dbraw/zinc/99/29/48/563992948.db2.gz NOAJXDOALBDWGR-LFIBNONCSA-N 1 0 341.436 3.935 40 0 EHABRO CCn1c[n+](C[C@H](O)COc2ccc(C(C)C)cc2)c2ccccc21 ZINC000000316235 563996782 /nfs/dbraw/zinc/99/67/82/563996782.db2.gz VGORMHDAQFJLOW-SFHVURJKSA-N 1 0 339.459 3.512 40 0 EHABRO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260408606 563998094 /nfs/dbraw/zinc/99/80/94/563998094.db2.gz BZOPGCRCZISMFU-RTBURBONSA-N 1 0 346.515 3.923 40 0 EHABRO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)c1ccccc1 ZINC000257343216 563999666 /nfs/dbraw/zinc/99/96/66/563999666.db2.gz ZRYFMUPVGTTZOK-JOCHJYFZSA-N 1 0 348.446 3.826 40 0 EHABRO CCN(C(=O)Cc1ccc(F)cc1)[C@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000019695644 564023697 /nfs/dbraw/zinc/02/36/97/564023697.db2.gz KILRTRDLMQIIET-GOSISDBHSA-N 1 0 332.463 3.624 40 0 EHABRO Clc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cccnc4)C3)o2)cc1 ZINC000049169437 564032518 /nfs/dbraw/zinc/03/25/18/564032518.db2.gz DDCGGVQRCXENJK-HNNXBMFYSA-N 1 0 340.814 3.775 40 0 biogenic,in-vitro EHABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000224637775 564043356 /nfs/dbraw/zinc/04/33/56/564043356.db2.gz CZBKIWBTWXPRQW-UHFFFAOYSA-N 1 0 338.451 3.529 40 0 EHABRO O=C(CCc1c(Cl)cccc1Cl)NCCC[NH+]1CCCCC1 ZINC000225353587 564046119 /nfs/dbraw/zinc/04/61/19/564046119.db2.gz ACBLBWGYDGOEGU-UHFFFAOYSA-N 1 0 343.298 3.918 40 0 EHABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225606395 564048309 /nfs/dbraw/zinc/04/83/09/564048309.db2.gz QBEXZVVNGVISLP-HXUWFJFHSA-N 1 0 348.487 3.551 40 0 EHABRO Cc1noc(C)c1-c1cc(C2CC[NH+](C3CCOCC3)CC2)ccn1 ZINC000257301494 564055089 /nfs/dbraw/zinc/05/50/89/564055089.db2.gz RYRQLMSGBNLZKZ-UHFFFAOYSA-N 1 0 341.455 3.712 40 0 EHABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)ccn1 ZINC000257316708 564055339 /nfs/dbraw/zinc/05/53/39/564055339.db2.gz VGQPKWWNVYQMTI-CTDFXDFQSA-N 1 0 335.451 3.520 40 0 EHABRO c1coc(C[N@@H+]2CC[C@]3(CN(Cc4ccccc4)c4cccnc43)C2)c1 ZINC000306132540 564062233 /nfs/dbraw/zinc/06/22/33/564062233.db2.gz LLQCXQYMFOAXGE-JOCHJYFZSA-N 1 0 345.446 3.839 40 0 EHABRO CC[C@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328977178 564071162 /nfs/dbraw/zinc/07/11/62/564071162.db2.gz FRVHEETXMSRGQS-LBPRGKRZSA-N 1 0 330.863 3.674 40 0 EHABRO O=C(OCc1ccccc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000575447508 564079798 /nfs/dbraw/zinc/07/97/98/564079798.db2.gz AUGRQMMVNGVQLT-UXHICEINSA-N 1 0 336.435 3.530 40 0 EHABRO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000584567012 564085905 /nfs/dbraw/zinc/08/59/05/564085905.db2.gz WTPAXDRULIZRDJ-YALNPMBYSA-N 1 0 337.847 3.666 40 0 EHABRO [NH3+][C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000004202946 210145522 /nfs/dbraw/zinc/14/55/22/210145522.db2.gz JGIVCDBPSWLOBH-HNNXBMFYSA-N 1 0 336.435 3.749 40 0 EHABRO C[NH+]1CCC(SC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)CC1 ZINC000001710814 209784967 /nfs/dbraw/zinc/78/49/67/209784967.db2.gz DPJQXPARYDNCFD-HXUWFJFHSA-N 1 0 347.524 3.809 40 0 EHABRO O=C([C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCC1 ZINC000038832670 213226682 /nfs/dbraw/zinc/22/66/82/213226682.db2.gz TZXPGJYTIYEZHS-ZDUSSCGKSA-N 1 0 341.282 3.828 40 0 EHABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389973 216189118 /nfs/dbraw/zinc/18/91/18/216189118.db2.gz JMEPCOKGZJETAP-MRXNPFEDSA-N 1 0 338.386 3.650 40 0 EHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1F ZINC000022913872 212332390 /nfs/dbraw/zinc/33/23/90/212332390.db2.gz FKHFIJBVWCUUPB-IBGZPJMESA-N 1 0 327.447 3.707 40 0 EHABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000022075089 212276935 /nfs/dbraw/zinc/27/69/35/212276935.db2.gz BAMNDCQODHKJIX-UHFFFAOYSA-N 1 0 342.483 3.706 40 0 EHABRO Cc1nccc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257215952 244167411 /nfs/dbraw/zinc/16/74/11/244167411.db2.gz CSKDPYODKXOKSX-OAHLLOKOSA-N 1 0 325.441 3.574 40 0 EHABRO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2ccncc2C)n1 ZINC000257227182 244203364 /nfs/dbraw/zinc/20/33/64/244203364.db2.gz FOARKMRVOGGNNF-GOSISDBHSA-N 1 0 349.438 3.789 40 0 EHABRO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)ccn1 ZINC000257275682 244392303 /nfs/dbraw/zinc/39/23/03/244392303.db2.gz NQLOCIRZCJTFQW-QGZVFWFLSA-N 1 0 348.454 3.631 40 0 EHABRO C[N@H+](CCn1cncc1-c1cnn(-c2ccccc2)c1)C1CCCC1 ZINC000019719633 212057314 /nfs/dbraw/zinc/05/73/14/212057314.db2.gz HDPCWJGPDJMTSV-UHFFFAOYSA-N 1 0 335.455 3.610 40 0 EHABRO c1ncn(CCC[NH+]2CCCCC2)c1-c1c[nH]nc1-c1ccccc1 ZINC000019719561 212057620 /nfs/dbraw/zinc/05/76/20/212057620.db2.gz MMXYJOXLTWZIHO-UHFFFAOYSA-N 1 0 335.455 3.816 40 0 EHABRO c1ncn(CCC[NH+]2CCCCC2)c1-c1cncn1Cc1ccccc1 ZINC000019719341 212056868 /nfs/dbraw/zinc/05/68/68/212056868.db2.gz LSGSZXICWRRURB-UHFFFAOYSA-N 1 0 349.482 3.671 40 0 EHABRO C[C@@H]1CCCC[N@@H+]1CC(C)(C)NC(=O)c1cc(-c2cccs2)on1 ZINC000019496359 212032738 /nfs/dbraw/zinc/03/27/38/212032738.db2.gz XTRSLEARKFBKTN-CYBMUJFWSA-N 1 0 347.484 3.786 40 0 EHABRO c1ccc(-c2noc([C@@H]3C[N@H+](CC4CCCCC4)CCO3)n2)cc1 ZINC000019374353 212023816 /nfs/dbraw/zinc/02/38/16/212023816.db2.gz NXFVVEVOMDRHDM-KRWDZBQOSA-N 1 0 327.428 3.690 40 0 EHABRO O=C(NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1)C1CC1 ZINC000019369194 212022872 /nfs/dbraw/zinc/02/28/72/212022872.db2.gz MYDFMZTYPKODNB-NRFANRHFSA-N 1 0 340.511 3.951 40 0 EHABRO Nc1cc2cc(F)ccc2nc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000019338924 212017952 /nfs/dbraw/zinc/01/79/52/212017952.db2.gz FFNQFJMZMVOCDX-UHFFFAOYSA-N 1 0 336.414 3.731 40 0 EHABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnc(C)nc2)cc1 ZINC000019287289 212009738 /nfs/dbraw/zinc/00/97/38/212009738.db2.gz VODOIXKHYYPKKX-WOZUAGRISA-N 1 0 337.467 3.856 40 0 EHABRO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000012360880 211355284 /nfs/dbraw/zinc/35/52/84/211355284.db2.gz RNVFYZLIGFWXDE-UHFFFAOYSA-N 1 0 347.890 3.617 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)c(OC)c1 ZINC000012222589 211323740 /nfs/dbraw/zinc/32/37/40/211323740.db2.gz MWQVMWPZEPGFAO-SFHVURJKSA-N 1 0 337.423 3.917 40 0 EHABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012119060 211297798 /nfs/dbraw/zinc/29/77/98/211297798.db2.gz OYQVAVKSYBRXCY-OAHLLOKOSA-N 1 0 326.371 3.571 40 0 EHABRO C[n+]1cccc(C(=O)NC2CCCCC2)c1/C=C/c1ccc(F)cc1 ZINC000005017011 210362252 /nfs/dbraw/zinc/36/22/52/210362252.db2.gz DCSWGEMAQUWBFL-SDNWHVSQSA-O 1 0 339.434 3.883 40 0 EHABRO C[NH+](C)C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934887 221206367 /nfs/dbraw/zinc/20/63/67/221206367.db2.gz JZXWQNLDFVFNTR-HMJACCDDSA-N 1 0 345.527 3.667 40 0 EHABRO CC(C)Oc1cccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000225737549 535050309 /nfs/dbraw/zinc/05/03/09/535050309.db2.gz AVQILOGLBPSMDE-MRXNPFEDSA-N 1 0 349.544 3.882 40 0 EHABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1 ZINC000257221855 536039657 /nfs/dbraw/zinc/03/96/57/536039657.db2.gz DQVARZAVGZHXTI-FQEVSTJZSA-N 1 0 349.478 3.539 40 0 EHABRO CC(C)C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019086180 563853497 /nfs/dbraw/zinc/85/34/97/563853497.db2.gz HFFKDSXHMWVPSG-UHFFFAOYSA-N 1 0 348.918 3.998 40 0 EHABRO Cc1cccc(-c2cc(C[NH2+]Cc3cccc(F)c3)c3nnnn3c2)c1 ZINC000019235305 563855207 /nfs/dbraw/zinc/85/52/07/563855207.db2.gz FDQYGBNFGPEZTJ-UHFFFAOYSA-N 1 0 347.397 3.529 40 0 EHABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccccc2Cl)C1 ZINC000044080784 563926164 /nfs/dbraw/zinc/92/61/64/563926164.db2.gz QQBQNRYSUGDSKW-CYBMUJFWSA-N 1 0 325.909 3.748 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)CC2CCCCC2)c2ccccn2)CC1 ZINC000257305558 563970416 /nfs/dbraw/zinc/97/04/16/563970416.db2.gz SQNURBFQUCIBTH-WFXMLNOXSA-N 1 0 343.515 3.974 40 0 EHABRO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@@H+](CC(C)C)CC3)cc1 ZINC000585100842 563971468 /nfs/dbraw/zinc/97/14/68/563971468.db2.gz YOYBREPCKLVCBP-NRFANRHFSA-N 1 0 328.500 3.998 40 0 EHABRO c1cncc(COCC[C@@H]2CCOC23CC[NH+](C2CCCC2)CC3)c1 ZINC000585104966 563971593 /nfs/dbraw/zinc/97/15/93/563971593.db2.gz MWJDLVIXOKWXLE-LJQANCHMSA-N 1 0 344.499 3.802 40 0 EHABRO COc1ccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)cc1 ZINC000096047612 563978252 /nfs/dbraw/zinc/97/82/52/563978252.db2.gz YKCPKELHLDNUBK-MJGOQNOKSA-N 1 0 344.480 3.602 40 0 EHABRO Fc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096047576 563978293 /nfs/dbraw/zinc/97/82/93/563978293.db2.gz DCSMHJYMKBDLGL-SJLPKXTDSA-N 1 0 332.444 3.733 40 0 EHABRO Fc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)cc1 ZINC000096047780 563978370 /nfs/dbraw/zinc/97/83/70/563978370.db2.gz QQQLWNIRENULMJ-GOSISDBHSA-N 1 0 326.415 3.759 40 0 EHABRO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096048736 563978388 /nfs/dbraw/zinc/97/83/88/563978388.db2.gz RQYGAIHPDANFEQ-KRWDZBQOSA-N 1 0 332.494 3.829 40 0 EHABRO Cc1occc1C(=O)N1CCC2(CC([N@H+](C)Cc3ccco3)C2)CC1 ZINC000096159255 563979784 /nfs/dbraw/zinc/97/97/84/563979784.db2.gz LGXLWZGNNPPVJI-UHFFFAOYSA-N 1 0 342.439 3.698 40 0 EHABRO c1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)cs1 ZINC000096206100 563980126 /nfs/dbraw/zinc/98/01/26/563980126.db2.gz UCCQBDWQTKSKTN-MJGOQNOKSA-N 1 0 343.496 3.626 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCc3ccccc3F)[C@H]2O)c1 ZINC000585288506 563982054 /nfs/dbraw/zinc/98/20/54/563982054.db2.gz CNKJSRJOVSOINE-PWRODBHTSA-N 1 0 343.442 3.627 40 0 EHABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+][C@H](CO)CC3CCCCC3)cc12 ZINC000585293411 563982193 /nfs/dbraw/zinc/98/21/93/563982193.db2.gz WFGMATAFVGARLA-SFHVURJKSA-N 1 0 342.483 3.978 40 0 EHABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CC[N@H+](CC1CCCC1)C2 ZINC000108527123 563984278 /nfs/dbraw/zinc/98/42/78/563984278.db2.gz GYKSRAGTFGLAPU-WMZOPIPTSA-N 1 0 340.458 3.583 40 0 EHABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216248 563985513 /nfs/dbraw/zinc/98/55/13/563985513.db2.gz OQFIYKSUWYUJNN-HXUWFJFHSA-N 1 0 337.467 3.645 40 0 EHABRO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCCC1 ZINC000005480349 564005982 /nfs/dbraw/zinc/00/59/82/564005982.db2.gz KSOGJTLYJTWZOO-DIGXMAGLSA-N 1 0 335.532 3.846 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000000557469 564012704 /nfs/dbraw/zinc/01/27/04/564012704.db2.gz KQGCDHIAHFZEKP-UHFFFAOYSA-N 1 0 342.439 3.798 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000005822935 564014286 /nfs/dbraw/zinc/01/42/86/564014286.db2.gz FRDXKIWBZRRCDF-UHFFFAOYSA-N 1 0 347.509 3.717 40 0 EHABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)cc1 ZINC000049170197 564032638 /nfs/dbraw/zinc/03/26/38/564032638.db2.gz GQOLTPTZDMIVDF-INIZCTEOSA-N 1 0 340.471 3.925 40 0 biogenic,in-vitro EHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225602217 564048239 /nfs/dbraw/zinc/04/82/39/564048239.db2.gz BNOLJANVSRFANS-OXJNMPFZSA-N 1 0 348.487 3.693 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000248122761 564053001 /nfs/dbraw/zinc/05/30/01/564053001.db2.gz NMVMOJUPFNJQDD-DJIMGWMZSA-N 1 0 344.480 3.714 40 0 EHABRO CCC(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257285231 564054687 /nfs/dbraw/zinc/05/46/87/564054687.db2.gz PGEYLXHHUCCOFB-CQSZACIVSA-N 1 0 327.403 3.999 40 0 EHABRO Cc1cccnc1C[N@@H+]1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257309202 564055232 /nfs/dbraw/zinc/05/52/32/564055232.db2.gz TZYDYVHYPAMEJR-LJQANCHMSA-N 1 0 347.462 3.629 40 0 EHABRO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000001475853 564065571 /nfs/dbraw/zinc/06/55/71/564065571.db2.gz PTIKSCXGHSGHDV-LJQANCHMSA-N 1 0 325.452 3.608 40 0 EHABRO COc1ccc2c(c1)CCN(c1cc(NC(C)C)[nH+]c(C(C)C)n1)C2 ZINC000329013988 564071555 /nfs/dbraw/zinc/07/15/55/564071555.db2.gz MTEBQDUYWUTCCT-UHFFFAOYSA-N 1 0 340.471 3.992 40 0 EHABRO CC[C@H](C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc(C)[nH+]1 ZINC000329056049 564071980 /nfs/dbraw/zinc/07/19/80/564071980.db2.gz VQNDOZYMPCHOBP-LBPRGKRZSA-N 1 0 330.863 3.633 40 0 EHABRO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010333419 564127780 /nfs/dbraw/zinc/12/77/80/564127780.db2.gz MNSMXQHNRMKZLV-UHFFFAOYSA-N 1 0 338.451 3.563 40 0 EHABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccccc2)C3)cc1 ZINC000096296305 564146583 /nfs/dbraw/zinc/14/65/83/564146583.db2.gz IFNDPIRIPBTTMY-IBGZPJMESA-N 1 0 333.435 3.547 40 0 biogenic,in-vitro EHABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000040373235 213293670 /nfs/dbraw/zinc/29/36/70/213293670.db2.gz OKDQYRMAQYYREX-BJLQDIEVSA-N 1 0 349.515 3.829 40 0 EHABRO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038848720 213227777 /nfs/dbraw/zinc/22/77/77/213227777.db2.gz ZOCXZFNMIHBPET-LJQANCHMSA-N 1 0 340.442 3.663 40 0 EHABRO Cc1cc(C)n(-c2cccc(C[N@@H+](C)[C@H](C)Cc3ccccn3)c2)n1 ZINC000036740656 213116218 /nfs/dbraw/zinc/11/62/18/213116218.db2.gz GGEKULQEEUDGCO-QGZVFWFLSA-N 1 0 334.467 3.947 40 0 EHABRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C=O)ccc21 ZINC000034007291 212972582 /nfs/dbraw/zinc/97/25/82/212972582.db2.gz GRNCGIVYWGYYLT-FQEVSTJZSA-N 1 0 327.399 3.754 40 0 in-vitro EHABRO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072360098 216165601 /nfs/dbraw/zinc/16/56/01/216165601.db2.gz QBIWAXRTLOYPDU-GOSISDBHSA-N 1 0 346.438 3.656 40 0 EHABRO CCc1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072350487 216162609 /nfs/dbraw/zinc/16/26/09/216162609.db2.gz NEBSZSYDLJGHRH-SFHVURJKSA-N 1 0 347.466 3.604 40 0 EHABRO c1ccc(Oc2cncc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072384261 216185350 /nfs/dbraw/zinc/18/53/50/216185350.db2.gz JHQDBWKUDVFDTA-GOSISDBHSA-N 1 0 325.412 3.585 40 0 EHABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390024 216189056 /nfs/dbraw/zinc/18/90/56/216189056.db2.gz HFKSSBWFECCKJH-HNNXBMFYSA-N 1 0 338.386 3.650 40 0 EHABRO O=C(NCCSC1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073583582 216396734 /nfs/dbraw/zinc/39/67/34/216396734.db2.gz UQMUDYPPDIUKSD-UHFFFAOYSA-N 1 0 332.513 3.688 40 0 EHABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225730072 242007137 /nfs/dbraw/zinc/00/71/37/242007137.db2.gz MLCWSIJXDOOUBR-FQEVSTJZSA-N 1 0 348.487 3.695 40 0 EHABRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000020492399 212139250 /nfs/dbraw/zinc/13/92/50/212139250.db2.gz JDLQQHONOGBRSU-IBGZPJMESA-N 1 0 346.515 3.761 40 0 EHABRO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCc1ccncc1)CS2 ZINC000253599806 244031741 /nfs/dbraw/zinc/03/17/41/244031741.db2.gz UWNVKLGLKYJLPD-MRXNPFEDSA-N 1 0 346.521 3.728 40 0 EHABRO Cc1nc([C@]2(C)CCC[N@H+](Cc3cccnc3)C2)c2sccn12 ZINC000257204243 244127723 /nfs/dbraw/zinc/12/77/23/244127723.db2.gz ATRSLNBTSUPJOD-GOSISDBHSA-N 1 0 326.469 3.653 40 0 EHABRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)n1 ZINC000257235573 244226529 /nfs/dbraw/zinc/22/65/29/244226529.db2.gz GYKSLDSLOBHAEJ-SFHVURJKSA-N 1 0 346.438 3.656 40 0 EHABRO Cc1[nH]c2c(cccc2C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1C ZINC000019576914 212045321 /nfs/dbraw/zinc/04/53/21/212045321.db2.gz YICYLENDKWILLI-CQSZACIVSA-N 1 0 327.472 3.779 40 0 EHABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019557578 212042368 /nfs/dbraw/zinc/04/23/68/212042368.db2.gz AUMKXFZCRHJWFM-TUFLPTIASA-N 1 0 327.468 3.904 40 0 EHABRO CC(C)c1ccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019453292 212027847 /nfs/dbraw/zinc/02/78/47/212027847.db2.gz DHHIPJIRFSCLHO-HXUWFJFHSA-N 1 0 336.483 3.583 40 0 EHABRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cccs1 ZINC000019375789 212024473 /nfs/dbraw/zinc/02/44/73/212024473.db2.gz PQTUVGLKKFMAKS-CJNGLKHVSA-N 1 0 327.453 3.537 40 0 EHABRO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc(-c2ccncc2)[nH]1 ZINC000019372029 212022680 /nfs/dbraw/zinc/02/26/80/212022680.db2.gz ARGQKDOQZUJYHH-IBGZPJMESA-N 1 0 346.434 3.559 40 0 EHABRO Fc1ccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019333899 212016780 /nfs/dbraw/zinc/01/67/80/212016780.db2.gz FPANQQCMQALYCS-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO Cc1ccc(CN(CC[NH+](C)C)Cc2c(C)nn(C(C)C)c2C)o1 ZINC000019216489 212005880 /nfs/dbraw/zinc/00/58/80/212005880.db2.gz XBDFCLGPUBIQCL-UHFFFAOYSA-N 1 0 332.492 3.546 40 0 EHABRO CC[C@@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1C ZINC000095095387 218280566 /nfs/dbraw/zinc/28/05/66/218280566.db2.gz NHUVTQSIUVEJDW-HUUCEWRRSA-N 1 0 329.444 3.998 40 0 EHABRO CC[C@H](C)Oc1c(C)cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1C ZINC000095095390 218280591 /nfs/dbraw/zinc/28/05/91/218280591.db2.gz NHUVTQSIUVEJDW-GJZGRUSLSA-N 1 0 329.444 3.998 40 0 EHABRO C[NH2+]CCCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000008377230 210943554 /nfs/dbraw/zinc/94/35/54/210943554.db2.gz DNKUJSXRMVRYAD-UHFFFAOYSA-N 1 0 348.874 3.627 40 0 EHABRO O=C(CC[N@@H+]1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(F)cc1 ZINC000053073945 132185676 /nfs/dbraw/zinc/18/56/76/132185676.db2.gz DOHBWZBXSGIRIR-LJQANCHMSA-N 1 0 338.426 3.536 40 0 EHABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000005670640 563544835 /nfs/dbraw/zinc/54/48/35/563544835.db2.gz GPXNHBGCMKQUQP-BLLLJJGKSA-N 1 0 341.282 3.988 40 0 EHABRO Cc1cc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc(C)c1Cl ZINC000006008641 563557017 /nfs/dbraw/zinc/55/70/17/563557017.db2.gz SOLPFLKUJFUZFL-INIZCTEOSA-N 1 0 325.880 3.961 40 0 EHABRO Cc1cc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)cc(C)c1Cl ZINC000006008637 563557070 /nfs/dbraw/zinc/55/70/70/563557070.db2.gz SOLPFLKUJFUZFL-MRXNPFEDSA-N 1 0 325.880 3.961 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccc(C)cc1)C1CCCCC1 ZINC000006382253 563566553 /nfs/dbraw/zinc/56/65/53/563566553.db2.gz XAJLHVCJQBUMBE-NRFANRHFSA-N 1 0 347.499 3.648 40 0 EHABRO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000008337130 563627456 /nfs/dbraw/zinc/62/74/56/563627456.db2.gz KXTZJQLMZASCQK-MRXNPFEDSA-N 1 0 349.858 3.788 40 0 EHABRO Clc1ncccc1-c1noc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000013265807 563693139 /nfs/dbraw/zinc/69/31/39/563693139.db2.gz QVJFQLVCYIEWOD-JSGCOSHPSA-N 1 0 332.835 3.940 40 0 EHABRO S=C(NCCC[NH+]1CCCCCC1)Nc1ccccc1Cl ZINC000061246987 563950490 /nfs/dbraw/zinc/95/04/90/563950490.db2.gz JAMWRVWNBVHLGH-UHFFFAOYSA-N 1 0 325.909 3.893 40 0 EHABRO Cc1ccc(Oc2cc(F)ccc2O[C@@H]2CCC[C@@H]([NH3+])[C@H]2O)cc1 ZINC000299851063 563964108 /nfs/dbraw/zinc/96/41/08/563964108.db2.gz VZTYUGZGPUTTMS-SZVBFZGTSA-N 1 0 331.387 3.546 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000257228097 563967360 /nfs/dbraw/zinc/96/73/60/563967360.db2.gz FSGZPJWEYRTKGC-ZWOKBUDYSA-N 1 0 329.488 3.584 40 0 EHABRO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@H+](CC2CC2)CC3)cc1 ZINC000585100210 563971371 /nfs/dbraw/zinc/97/13/71/563971371.db2.gz HPMWYELRSDEMKI-OAQYLSRUSA-N 1 0 326.484 3.752 40 0 EHABRO Cc1cccnc1C[NH+]1CCC2(CC(NC(=O)OCC(C)C)C2)CC1 ZINC000585103956 563971548 /nfs/dbraw/zinc/97/15/48/563971548.db2.gz UKNBCQUIOXEHOZ-UHFFFAOYSA-N 1 0 345.487 3.517 40 0 EHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)s1 ZINC000585105297 563971619 /nfs/dbraw/zinc/97/16/19/563971619.db2.gz SNIMVYZBYRIOFM-MRXNPFEDSA-N 1 0 346.521 3.728 40 0 EHABRO c1csc(C[N@H+]2CCC3(C2)CCN(Cc2nccs2)CC3)c1 ZINC000096046527 563978068 /nfs/dbraw/zinc/97/80/68/563978068.db2.gz FYBRYTMQEYKKFN-UHFFFAOYSA-N 1 0 333.526 3.693 40 0 EHABRO COc1ccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)cc1 ZINC000096047611 563978258 /nfs/dbraw/zinc/97/82/58/563978258.db2.gz YKCPKELHLDNUBK-PKOBYXMFSA-N 1 0 344.480 3.602 40 0 EHABRO Fc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)c1 ZINC000096047587 563978301 /nfs/dbraw/zinc/97/83/01/563978301.db2.gz PWGBGNBWEKZWBV-ROUUACIJSA-N 1 0 332.444 3.733 40 0 EHABRO c1cc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)co1 ZINC000096047847 563978329 /nfs/dbraw/zinc/97/83/29/563978329.db2.gz NEBKXEOKKZAGQC-IBGZPJMESA-N 1 0 327.424 3.620 40 0 EHABRO c1cc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)cs1 ZINC000096049312 563978424 /nfs/dbraw/zinc/97/84/24/563978424.db2.gz GFSVHQFVJQHMPG-UHFFFAOYSA-N 1 0 327.497 3.774 40 0 EHABRO Cc1occc1C(=O)N1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC000096051579 563978556 /nfs/dbraw/zinc/97/85/56/563978556.db2.gz SMGBWZGSDYYRFH-GOSISDBHSA-N 1 0 342.439 3.698 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)s1 ZINC000096052493 563978656 /nfs/dbraw/zinc/97/86/56/563978656.db2.gz ZIQQBMPZMMBLIZ-UHFFFAOYSA-N 1 0 326.465 3.567 40 0 EHABRO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)s1 ZINC000096057910 563978839 /nfs/dbraw/zinc/97/88/39/563978839.db2.gz QZXGLPPBRSWYGA-IPMKNSEASA-N 1 0 335.513 3.995 40 0 EHABRO CC(=O)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096079597 563979148 /nfs/dbraw/zinc/97/91/48/563979148.db2.gz QXQWKLINDDWBFT-UHFFFAOYSA-N 1 0 326.484 3.573 40 0 EHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)cc1 ZINC000096216656 563980344 /nfs/dbraw/zinc/98/03/44/563980344.db2.gz VFXBYIJWMFHSBX-NRFANRHFSA-N 1 0 337.467 3.583 40 0 EHABRO Cc1cccc(C(=O)N2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC000096227980 563980447 /nfs/dbraw/zinc/98/04/47/563980447.db2.gz HVIBLBJUXJGAKR-UHFFFAOYSA-N 1 0 349.478 3.661 40 0 EHABRO Cc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585290103 563982019 /nfs/dbraw/zinc/98/20/19/563982019.db2.gz SBVVCOMJRGRSOT-PWRODBHTSA-N 1 0 343.442 3.627 40 0 EHABRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)cc1 ZINC000585288706 563982089 /nfs/dbraw/zinc/98/20/89/563982089.db2.gz IGXVQRVPCUVTBL-CEWLAPEOSA-N 1 0 325.452 3.754 40 0 EHABRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccco4)[C@H]3C2)o1 ZINC000107746125 563984127 /nfs/dbraw/zinc/98/41/27/563984127.db2.gz DXSBUYCZZPYIQT-SZMVWBNQSA-N 1 0 342.439 3.554 40 0 EHABRO Cc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000005969160 564014373 /nfs/dbraw/zinc/01/43/73/564014373.db2.gz YICCTGRAWLZCJD-UHFFFAOYSA-N 1 0 338.451 3.917 40 0 EHABRO COc1ccc(CC[N@@H+](Cc2ccncc2)CC2CC2)cc1OC ZINC000013989502 564020774 /nfs/dbraw/zinc/02/07/74/564020774.db2.gz UDVOSTUMSRIZIS-UHFFFAOYSA-N 1 0 326.440 3.554 40 0 EHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169278 564032556 /nfs/dbraw/zinc/03/25/56/564032556.db2.gz FWYWISSAGDPNPY-KRWDZBQOSA-N 1 0 335.407 3.735 40 0 biogenic,in-vitro EHABRO FC(F)(F)c1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1 ZINC000225410233 564046514 /nfs/dbraw/zinc/04/65/14/564046514.db2.gz IQGAUCUTBPGEGC-UHFFFAOYSA-N 1 0 345.434 3.868 40 0 EHABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225650072 564048989 /nfs/dbraw/zinc/04/89/89/564048989.db2.gz CTGQLKWUCQNXFF-LJQANCHMSA-N 1 0 336.476 3.551 40 0 EHABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)ccn1 ZINC000257323106 564055438 /nfs/dbraw/zinc/05/54/38/564055438.db2.gz WIUJKCAPYJNWQF-HXUWFJFHSA-N 1 0 348.450 3.602 40 0 EHABRO CN1C[C@H]2[N@H+](Cc3ccsc3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306143715 564062365 /nfs/dbraw/zinc/06/23/65/564062365.db2.gz YKHGBASRRORODF-QUCCMNQESA-N 1 0 340.492 3.513 40 0 EHABRO CCc1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000329036449 564071763 /nfs/dbraw/zinc/07/17/63/564071763.db2.gz RIVFCPISRDWGQB-ZDUSSCGKSA-N 1 0 344.890 3.887 40 0 EHABRO O=C1N2CCN(Cc3cccc(Cl)c3)C[C@@H]2CN1C1CCCCC1 ZINC000085436203 564073180 /nfs/dbraw/zinc/07/31/80/564073180.db2.gz DGXHAJAPSZNYKO-GOSISDBHSA-N 1 0 347.890 3.595 40 0 biogenic,in-vitro EHABRO S=C(Nc1ccc(Cl)c(Cl)c1)NC12CC[NH+](CC1)CC2 ZINC000027642721 564079172 /nfs/dbraw/zinc/07/91/72/564079172.db2.gz SIBIIBYAOKAUHR-UHFFFAOYSA-N 1 0 330.284 3.518 40 0 EHABRO CCN(C)[C@@H]1C[N@H+](Cc2c(C)nn(CC)c2C)C2(C1)CCCCC2 ZINC000019703798 564128036 /nfs/dbraw/zinc/12/80/36/564128036.db2.gz PEKIEJFESGIXMZ-SFHVURJKSA-N 1 0 332.536 3.749 40 0 EHABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000044841652 564128540 /nfs/dbraw/zinc/12/85/40/564128540.db2.gz GISGQULYQJUEDR-UYAOXDASSA-N 1 0 346.515 3.923 40 0 EHABRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)NC1CCC(C(F)F)CC1 ZINC000528011205 1031591094 /nfs/dbraw/zinc/59/10/94/1031591094.db2.gz OMJVNWIEDXELBW-ZBCRRDGASA-N 1 0 343.462 3.517 40 0 EHABRO CC[C@@]1(C)C[C@](CC(=O)O[C@@H](C)C[NH+](C)C)(c2ccccc2)CCO1 ZINC000004696775 210250830 /nfs/dbraw/zinc/25/08/30/210250830.db2.gz BQVOKFAZPLBWCA-YYWHXJBOSA-N 1 0 347.499 3.787 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)s1 ZINC000097953899 219065287 /nfs/dbraw/zinc/06/52/87/219065287.db2.gz DXFGISWPCUOKSF-BMGDILEWSA-N 1 0 329.469 3.507 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)CCC2CCCC2)c2ccccn2)CC1 ZINC000100750333 219105920 /nfs/dbraw/zinc/10/59/20/219105920.db2.gz XUJRTCRKLHILED-UEXGIBASSA-N 1 0 343.515 3.974 40 0 EHABRO C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CCC[NH2+][C@H]5CC[C@]4(C)[C@H]3CC[C@]21C ZINC000104389292 219383994 /nfs/dbraw/zinc/38/39/94/219383994.db2.gz VTUJCRYRYIZIRS-DNAOUPSLSA-N 1 0 344.543 3.889 40 0 EHABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3F)CC2)cc1 ZINC000039765496 213242392 /nfs/dbraw/zinc/24/23/92/213242392.db2.gz AYYXVAOFPKRWKJ-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO c1cc(C2CC[NH+](C3CCCCC3)CC2)nc(Nc2cncnc2)n1 ZINC000072354957 216164471 /nfs/dbraw/zinc/16/44/71/216164471.db2.gz HFCBMMYWKHMQPY-UHFFFAOYSA-N 1 0 338.459 3.522 40 0 EHABRO Cc1nccn1-c1cccc([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072376601 216179031 /nfs/dbraw/zinc/17/90/31/216179031.db2.gz RBDLYZJTVAISNT-FQEVSTJZSA-N 1 0 346.478 3.998 40 0 EHABRO O=C(CCc1ccccc1F)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189921 212411835 /nfs/dbraw/zinc/41/18/35/212411835.db2.gz NRPKPBBXMCFYGC-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000022523917 212304257 /nfs/dbraw/zinc/30/42/57/212304257.db2.gz RXZKIHHYUJKCKH-RTBURBONSA-N 1 0 346.515 3.842 40 0 EHABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Cl)c1OCC ZINC000022076038 212277011 /nfs/dbraw/zinc/27/70/11/212277011.db2.gz MEMMLLJYEXWWSY-UHFFFAOYSA-N 1 0 328.884 3.569 40 0 EHABRO Cc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000021973048 212267365 /nfs/dbraw/zinc/26/73/65/212267365.db2.gz FGCHJIBBRHZKNB-UHFFFAOYSA-N 1 0 336.479 3.840 40 0 EHABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225730708 242007600 /nfs/dbraw/zinc/00/76/00/242007600.db2.gz BTOGOJWWEWXADI-LJQANCHMSA-N 1 0 336.476 3.551 40 0 EHABRO Cc1cncc(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)n1 ZINC000257263136 244353052 /nfs/dbraw/zinc/35/30/52/244353052.db2.gz LOOPLQNZDSZACV-UHFFFAOYSA-N 1 0 345.450 3.622 40 0 EHABRO Cc1nc(-c2ccnn2C(C)C)cc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257301524 244464378 /nfs/dbraw/zinc/46/43/78/244464378.db2.gz RYVMPNJAGGFDPY-UHFFFAOYSA-N 1 0 327.476 3.817 40 0 EHABRO CN(C)c1ccc(C(=O)N2CCC(c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000019584774 212047291 /nfs/dbraw/zinc/04/72/91/212047291.db2.gz PJQBSJLOWAHCGX-UHFFFAOYSA-N 1 0 348.450 3.649 40 0 EHABRO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000019576607 212045037 /nfs/dbraw/zinc/04/50/37/212045037.db2.gz SLPQPXGRPCKFMA-UHFFFAOYSA-N 1 0 331.419 3.716 40 0 EHABRO CC(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019081682 211999790 /nfs/dbraw/zinc/99/97/90/211999790.db2.gz YSZWAGIRXKRNQD-KSZLIROESA-N 1 0 332.463 3.698 40 0 EHABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000012362941 211355694 /nfs/dbraw/zinc/35/56/94/211355694.db2.gz VSFDQGYMQOQTAE-MRXNPFEDSA-N 1 0 345.462 3.539 40 0 EHABRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1O ZINC000012366527 211357130 /nfs/dbraw/zinc/35/71/30/211357130.db2.gz HWJMEERSPCPQEA-DOTOQJQBSA-N 1 0 330.428 3.588 40 0 EHABRO COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc1 ZINC000012252288 211330571 /nfs/dbraw/zinc/33/05/71/211330571.db2.gz VASHUKHXPVYRBE-PMSBKCLSSA-N 1 0 328.500 3.782 40 0 EHABRO Cc1cc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C)c1Cl ZINC000012169952 211310865 /nfs/dbraw/zinc/31/08/65/211310865.db2.gz LTOMHKXZZHIXOP-HEHGZKQESA-N 1 0 325.880 3.674 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)c(OC)c1 ZINC000012222588 211323515 /nfs/dbraw/zinc/32/35/15/211323515.db2.gz MWQVMWPZEPGFAO-GOSISDBHSA-N 1 0 337.423 3.917 40 0 EHABRO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccc(F)cc2)C3)nc1 ZINC000012135246 211301060 /nfs/dbraw/zinc/30/10/60/211301060.db2.gz WNMWATLEGSGWTC-HTZLVSCSSA-N 1 0 340.442 3.649 40 0 EHABRO Cn1ccnc1CN(Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116749 211296269 /nfs/dbraw/zinc/29/62/69/211296269.db2.gz AWSRLVIDUUVGFT-UHFFFAOYSA-N 1 0 340.515 3.732 40 0 EHABRO CCOc1cc([C@H](C[N+](C)=O)c2c[nH]c3ccccc32)ccc1O ZINC000094992740 218271646 /nfs/dbraw/zinc/27/16/46/218271646.db2.gz TUUYXUOJCGJDMY-INIZCTEOSA-O 1 0 325.388 3.813 40 0 EHABRO C[C@@H]1[C@@H]2C[C@H](CN1C(=O)OC(C)(C)C)C[N@H+](Cc1ccccc1)C2 ZINC000095093764 218281108 /nfs/dbraw/zinc/28/11/08/218281108.db2.gz YYUADVVEJKUGRU-BPQIPLTHSA-N 1 0 330.472 3.764 40 0 EHABRO O[C@@H](C[C@H]1CCC[C@@H](C[C@H](O)c2ccccc2)[NH2+]1)c1ccccc1 ZINC000004974919 210344537 /nfs/dbraw/zinc/34/45/37/210344537.db2.gz UMXDEQATKLAHCQ-WOZUAGRISA-N 1 0 325.452 3.745 40 0 EHABRO CCSc1nnc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1C(C)C ZINC000004932398 210328108 /nfs/dbraw/zinc/32/81/08/210328108.db2.gz ARYYLAWPHJAILY-MRXNPFEDSA-N 1 0 345.516 3.746 40 0 EHABRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000228923509 257844339 /nfs/dbraw/zinc/84/43/39/257844339.db2.gz BDKABTORALMGOP-UHFFFAOYSA-N 1 0 340.267 3.662 40 0 EHABRO CC1(C)Oc2c(cccc2C(F)(F)F)[C@H]2O[C@H]3CC[NH2+][C@H]3C[C@@H]21 ZINC000257229894 535004021 /nfs/dbraw/zinc/00/40/21/535004021.db2.gz FZWUAQLDOXDHEB-XDQVBPFNSA-N 1 0 327.346 3.685 40 0 EHABRO CC[NH+](CC)CC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000001565069 563392578 /nfs/dbraw/zinc/39/25/78/563392578.db2.gz MPIZHXYXPMULTR-IBGZPJMESA-N 1 0 346.858 3.702 40 0 EHABRO O=[S@](OCC[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000001665088 563400608 /nfs/dbraw/zinc/40/06/08/563400608.db2.gz ZXMOSQSEGWJUAA-QHCPKHFHSA-N 1 0 329.465 3.552 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1cccc(C)c1)C1CCCCC1 ZINC000001710824 563406209 /nfs/dbraw/zinc/40/62/09/563406209.db2.gz UORFAMZRWXNUHF-OAQYLSRUSA-N 1 0 347.499 3.648 40 0 EHABRO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000008337042 563627227 /nfs/dbraw/zinc/62/72/27/563627227.db2.gz QPJNEHKIHSXZOK-MRXNPFEDSA-N 1 0 337.822 3.919 40 0 EHABRO CCOc1cccc(C[NH2+][C@H](CC)CO)c1OCc1ccccc1 ZINC000008337128 563627494 /nfs/dbraw/zinc/62/74/94/563627494.db2.gz SFRFBFNQZASCNW-GOSISDBHSA-N 1 0 329.440 3.525 40 0 EHABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000253608514 563950432 /nfs/dbraw/zinc/95/04/32/563950432.db2.gz PSKUZPOGYZMETL-XRNRSJMDSA-N 1 0 325.537 3.803 40 0 EHABRO O=C1N(CC2CCCCC2)C[C@@]12CCC[N@@H+](CC1CC(F)(F)C1)C2 ZINC000585099645 563971415 /nfs/dbraw/zinc/97/14/15/563971415.db2.gz ULGAGRLMEOCHRF-SFHVURJKSA-N 1 0 340.458 3.536 40 0 EHABRO Cc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)c1 ZINC000585105479 563971554 /nfs/dbraw/zinc/97/15/54/563971554.db2.gz XNALOHWDHQCIQV-IBGZPJMESA-N 1 0 340.492 3.667 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2nccs2)CC3)o1 ZINC000096046616 563978063 /nfs/dbraw/zinc/97/80/63/563978063.db2.gz WALQKOWLFXKYQR-UHFFFAOYSA-N 1 0 331.485 3.533 40 0 EHABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]21 ZINC000096058327 563978853 /nfs/dbraw/zinc/97/88/53/563978853.db2.gz UQTUZXSFTSWMOC-FHWLQOOXSA-N 1 0 340.492 3.999 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)o1 ZINC000096061435 563979006 /nfs/dbraw/zinc/97/90/06/563979006.db2.gz RAOGJRSTRYRSGE-LJQANCHMSA-N 1 0 338.451 3.569 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3)C[C@@H]21 ZINC000096081859 563979110 /nfs/dbraw/zinc/97/91/10/563979110.db2.gz MXPXKLFLAOYKER-YSIASYRMSA-N 1 0 338.451 3.652 40 0 EHABRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000096100280 563979184 /nfs/dbraw/zinc/97/91/84/563979184.db2.gz LUUARNPEMWZOJU-GOSISDBHSA-N 1 0 340.492 3.586 40 0 EHABRO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2cccnc2)C3)c1 ZINC000096206239 563980134 /nfs/dbraw/zinc/98/01/34/563980134.db2.gz GAVMLAPYLYLYSN-RTWAWAEBSA-N 1 0 337.467 3.604 40 0 EHABRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000096263805 563980663 /nfs/dbraw/zinc/98/06/63/563980663.db2.gz BSYWQJMZNJLTJH-MOPGFXCFSA-N 1 0 329.447 3.859 40 0 EHABRO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCc1cccs1 ZINC000008337088 564016129 /nfs/dbraw/zinc/01/61/29/564016129.db2.gz NXXUTEKIASANAB-OAHLLOKOSA-N 1 0 335.469 3.586 40 0 EHABRO C[C@H]1[C@H](NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)CCC[C@@H]1C ZINC000014670674 564023673 /nfs/dbraw/zinc/02/36/73/564023673.db2.gz HAXAGOICPJHJRB-WAOWUJCRSA-N 1 0 342.527 3.882 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(OC)c2OC)cc1 ZINC000190573026 564025195 /nfs/dbraw/zinc/02/51/95/564025195.db2.gz XABWDZOYARZTTR-UHFFFAOYSA-N 1 0 342.439 3.798 40 0 EHABRO Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000224516797 564043066 /nfs/dbraw/zinc/04/30/66/564043066.db2.gz LCZJNUFHRURLOZ-UHFFFAOYSA-N 1 0 336.479 3.758 40 0 EHABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225693090 564049437 /nfs/dbraw/zinc/04/94/37/564049437.db2.gz WJUYIBVQUGJNTA-LJQANCHMSA-N 1 0 336.476 3.551 40 0 EHABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3ccncc3)C2)n1 ZINC000257279313 564054584 /nfs/dbraw/zinc/05/45/84/564054584.db2.gz OGAKEWQIIGAXBZ-SFHVURJKSA-N 1 0 348.450 3.813 40 0 EHABRO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](C3CCC3)C[C@@H]21 ZINC000306129939 564062153 /nfs/dbraw/zinc/06/21/53/564062153.db2.gz IRFNKESBWFMDJM-AEFFLSMTSA-N 1 0 345.489 3.523 40 0 EHABRO CC[C@H](C)Nc1cc(N2CCc3cc(OC)ccc3C2)nc(C)[nH+]1 ZINC000328964113 564070964 /nfs/dbraw/zinc/07/09/64/564070964.db2.gz BTCNUEGJIFRFBQ-ZDUSSCGKSA-N 1 0 326.444 3.567 40 0 EHABRO CC[NH+](CC)Cc1cc(Br)ccc1Oc1ncccn1 ZINC000575422128 564079185 /nfs/dbraw/zinc/07/91/85/564079185.db2.gz FVYSAHPHJXTHPE-UHFFFAOYSA-N 1 0 336.233 3.873 40 0 EHABRO COc1ccc(CN2C(=O)CCCC[C@H]3[N@@H+](C(C)C)CC[C@]32C)cc1 ZINC000019713769 564128125 /nfs/dbraw/zinc/12/81/25/564128125.db2.gz GHQAWXDVZFBUPN-TZIWHRDSSA-N 1 0 344.499 3.839 40 0 EHABRO COc1ccc2c(c1)nc1n2[C@@H](C[NH+](C2CCC2)C2CCC2)COC1 ZINC000096112399 564145409 /nfs/dbraw/zinc/14/54/09/564145409.db2.gz HFUKEPXJKRXVCG-INIZCTEOSA-N 1 0 341.455 3.523 40 0 biogenic,in-vitro EHABRO Cc1cccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)n1 ZINC000306128669 568420017 /nfs/dbraw/zinc/42/00/17/568420017.db2.gz HHUPPPUIGJYJJO-RTBURBONSA-N 1 0 344.462 3.558 40 0 EHABRO CCOC(=O)[C@@H]1CC2(C[NH2+]1)CCC(O[Si](C)(C)C(C)(C)C)CC2 ZINC000201747482 1120364422 /nfs/dbraw/zinc/36/44/22/1120364422.db2.gz XAYBFASIKQZINL-CSLYMUCUSA-N 1 0 341.568 3.862 40 0 EHABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)n1 ZINC000306128668 1137871330 /nfs/dbraw/zinc/87/13/30/1137871330.db2.gz HHUPPPUIGJYJJO-RBUKOAKNSA-N 1 0 344.462 3.558 40 0 EHABRO C[NH+](C)CCCN(Cc1ccco1)Cc1c[nH]nc1-c1cccs1 ZINC000057810869 214454256 /nfs/dbraw/zinc/45/42/56/214454256.db2.gz HCXHEQQDRBXHNA-UHFFFAOYSA-N 1 0 344.484 3.685 40 0 EHABRO CCOC(=O)c1cnc2ccc(OCCC[NH+](CC)CC)cc2c1 ZINC000001691103 209781498 /nfs/dbraw/zinc/78/14/98/209781498.db2.gz CQMNEVMEGBBHMB-UHFFFAOYSA-N 1 0 330.428 3.522 40 0 EHABRO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCCCCC1 ZINC000039757889 213242218 /nfs/dbraw/zinc/24/22/18/213242218.db2.gz NPZYDSVYTSYUJV-UHFFFAOYSA-N 1 0 334.891 3.955 40 0 EHABRO COc1ccc2[nH]c([C@H]3CC[N@H+](CCCc4ccccc4)C3)nc2c1 ZINC000035446766 213029394 /nfs/dbraw/zinc/02/93/94/213029394.db2.gz RYQOVKWELRHSDR-KRWDZBQOSA-N 1 0 335.451 3.994 40 0 biogenic,in-vitro EHABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC000072330691 216155482 /nfs/dbraw/zinc/15/54/82/216155482.db2.gz DRPSISGYYCGIDG-UFYCRDLUSA-N 1 0 346.540 3.965 40 0 EHABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000072335288 216157098 /nfs/dbraw/zinc/15/70/98/216157098.db2.gz RVWHIDJMYMUWOP-AEFFLSMTSA-N 1 0 337.467 3.854 40 0 EHABRO CN(C)c1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCC[NH2+]2)n1 ZINC000072354546 216163957 /nfs/dbraw/zinc/16/39/57/216163957.db2.gz OWBMQAMYWCGVDX-CQSZACIVSA-N 1 0 336.361 3.653 40 0 EHABRO Cc1ccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)CC[NH2+]C3)c2)cc1 ZINC000072391947 216191277 /nfs/dbraw/zinc/19/12/77/216191277.db2.gz KHKAIXCBZTVWJY-QFIPXVFZSA-N 1 0 336.479 3.709 40 0 EHABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC[NH2+]C1 ZINC000072391955 216191521 /nfs/dbraw/zinc/19/15/21/216191521.db2.gz MQUBHIIIXMKEHA-QFIPXVFZSA-N 1 0 336.479 3.791 40 0 EHABRO CCN(CC)CC[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000022871024 212330970 /nfs/dbraw/zinc/33/09/70/212330970.db2.gz LWFOWNOBPVMQDT-OAQYLSRUSA-N 1 0 326.484 3.910 40 0 EHABRO Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)c(C)c1 ZINC000022407982 212295603 /nfs/dbraw/zinc/29/56/03/212295603.db2.gz JGDKPFIMCOAULM-QFIPXVFZSA-N 1 0 335.471 3.954 40 0 EHABRO Clc1ccc(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)c(Cl)c1 ZINC000217563659 241258825 /nfs/dbraw/zinc/25/88/25/241258825.db2.gz AMEWFKVQXYDZQG-AWEZNQCLSA-N 1 0 348.237 3.913 40 0 EHABRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000020492396 212139201 /nfs/dbraw/zinc/13/92/01/212139201.db2.gz JDLQQHONOGBRSU-LJQANCHMSA-N 1 0 346.515 3.761 40 0 EHABRO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000257271556 244379158 /nfs/dbraw/zinc/37/91/58/244379158.db2.gz MYUVDHKCRDHDGV-INIZCTEOSA-N 1 0 331.423 3.749 40 0 EHABRO CCCn1nc(C)c(-c2cncn2C[C@@H](C)[NH+]2CCC(C)CC2)c1C ZINC000019654636 212053311 /nfs/dbraw/zinc/05/33/11/212053311.db2.gz NQMZBGRHHBECSO-MRXNPFEDSA-N 1 0 343.519 3.894 40 0 EHABRO COCCC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccn1 ZINC000019593275 212050483 /nfs/dbraw/zinc/05/04/83/212050483.db2.gz IXXKLQDHJIYBKR-UHFFFAOYSA-N 1 0 336.439 3.510 40 0 EHABRO C[NH+](C)CCn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 ZINC000019583305 212047207 /nfs/dbraw/zinc/04/72/07/212047207.db2.gz ZQLHPLDUZJSANY-UHFFFAOYSA-N 1 0 345.805 3.621 40 0 EHABRO Cc1oc2ccc(O)cc2c1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000019581574 212047001 /nfs/dbraw/zinc/04/70/01/212047001.db2.gz CQUNNAWXZXCRRN-ZIAGYGMSSA-N 1 0 344.455 3.545 40 0 EHABRO C[C@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019495818 212032060 /nfs/dbraw/zinc/03/20/60/212032060.db2.gz FVEFMSZTHXCPMG-ZMHJYQQXSA-N 1 0 326.484 3.511 40 0 EHABRO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000079438510 217224933 /nfs/dbraw/zinc/22/49/33/217224933.db2.gz FBHMIRRWYJBWRH-CHWSQXEVSA-N 1 0 325.478 3.583 40 0 EHABRO O=C1CCCN1C[C@@H]1CCC[N@@H+](CC2(c3ccc(Cl)cc3)CC2)C1 ZINC000012241527 211327671 /nfs/dbraw/zinc/32/76/71/211327671.db2.gz YQCHPNQKFOWKEX-MRXNPFEDSA-N 1 0 346.902 3.706 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000012170338 211310763 /nfs/dbraw/zinc/31/07/63/211310763.db2.gz FROLMVAMIZKMMK-STJITEESSA-N 1 0 325.537 3.947 40 0 EHABRO Cc1ccc(CN(Cc2nccn2C)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116743 211296360 /nfs/dbraw/zinc/29/63/60/211296360.db2.gz NWKUKWCBRVWYJC-UHFFFAOYSA-N 1 0 344.503 3.633 40 0 EHABRO Cc1ccc(CN(Cc2[nH]cnc2C)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116744 211295366 /nfs/dbraw/zinc/29/53/66/211295366.db2.gz IFWLLSJHQCZISO-UHFFFAOYSA-N 1 0 344.503 3.931 40 0 EHABRO C[C@@H]1CCc2c(sc3nc(C(C)(C)C)nc(N4CC[NH2+]CC4)c23)C1 ZINC000004910656 210320439 /nfs/dbraw/zinc/32/04/39/210320439.db2.gz PIIXAPBAWUQZCF-GFCCVEGCSA-N 1 0 344.528 3.523 40 0 EHABRO Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000009062564 257862075 /nfs/dbraw/zinc/86/20/75/257862075.db2.gz NKICBAHJHBSFAN-UHFFFAOYSA-N 1 0 336.479 3.832 40 0 EHABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2ccc(F)cc2Cl)n1 ZINC000257290857 536052669 /nfs/dbraw/zinc/05/26/69/536052669.db2.gz QEPUYEVOFFHDNC-QGZVFWFLSA-N 1 0 348.853 3.668 40 0 EHABRO CCOc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3CC)c(=O)c2c1 ZINC000000948999 563366401 /nfs/dbraw/zinc/36/64/01/563366401.db2.gz XUEDCICPHLYDKR-OAHLLOKOSA-N 1 0 328.456 4.000 40 0 EHABRO COc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(C(C)(C)C)c1 ZINC000001475476 563391007 /nfs/dbraw/zinc/39/10/07/563391007.db2.gz PVRPRVBIJMPCRR-KRWDZBQOSA-N 1 0 349.515 3.997 40 0 EHABRO C[NH+]1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000019362664 563855836 /nfs/dbraw/zinc/85/58/36/563855836.db2.gz WEYVCQFUGFRXOM-UHFFFAOYSA-N 1 0 339.508 3.927 40 0 world EHABRO O=C(C[NH2+]Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000066212191 563962186 /nfs/dbraw/zinc/96/21/86/563962186.db2.gz XCURTGZCAFFMRY-UHFFFAOYSA-N 1 0 346.430 3.994 40 0 EHABRO Cc1nc([C@@H]2C[C@@H]3CC[N@H+](Cc4cccc5ccccc54)C[C@H]3O2)no1 ZINC000096046414 563978084 /nfs/dbraw/zinc/97/80/84/563978084.db2.gz KRJVBHFXKNIJND-FFZOFVMBSA-N 1 0 349.434 3.883 40 0 EHABRO FC1(F)CC[N@H+](Cc2ccccn2)C[C@]12CCN(c1ccccc1)C2 ZINC000096051111 563978524 /nfs/dbraw/zinc/97/85/24/563978524.db2.gz REVJAPRIEKJSAO-IBGZPJMESA-N 1 0 343.421 3.819 40 0 EHABRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccco4)[C@@H]3C2)o1 ZINC000096054594 563978704 /nfs/dbraw/zinc/97/87/04/563978704.db2.gz DXSBUYCZZPYIQT-JQHSSLGASA-N 1 0 342.439 3.554 40 0 EHABRO c1csc(C[NH+]2CCC3(CO[C@H](COc4cccnc4)C3)CC2)c1 ZINC000096106080 563979249 /nfs/dbraw/zinc/97/92/49/563979249.db2.gz OQBGMIYQGFRIKZ-KRWDZBQOSA-N 1 0 344.480 3.593 40 0 EHABRO CCO[C@@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)c2ccc(C)cc21 ZINC000096241837 563980554 /nfs/dbraw/zinc/98/05/54/563980554.db2.gz MSHGQDJNNMWQBM-HXUWFJFHSA-N 1 0 339.483 3.744 40 0 EHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3C)CC2)c1 ZINC000009063014 564016573 /nfs/dbraw/zinc/01/65/73/564016573.db2.gz IBHHDOMIRNSDII-UHFFFAOYSA-N 1 0 336.479 3.832 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1F ZINC000222693663 564037495 /nfs/dbraw/zinc/03/74/95/564037495.db2.gz PCBZYQGHVKPQKD-AWEZNQCLSA-N 1 0 326.843 3.864 40 0 EHABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCCCC1 ZINC000225330073 564046001 /nfs/dbraw/zinc/04/60/01/564046001.db2.gz MJALRFVVZKKJGG-UHFFFAOYSA-N 1 0 343.298 3.918 40 0 EHABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225650168 564048997 /nfs/dbraw/zinc/04/89/97/564048997.db2.gz JQAFXIPRPGLKAD-FQEVSTJZSA-N 1 0 348.487 3.695 40 0 EHABRO C[NH+]1CCC(N2CCC[C@@H]2c2ncc(Cc3ccccc3F)o2)CC1 ZINC000257296352 564055004 /nfs/dbraw/zinc/05/50/04/564055004.db2.gz RCJRTGKRQNAIRS-LJQANCHMSA-N 1 0 343.446 3.636 40 0 EHABRO C[N@@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cscn1 ZINC000257308255 564055198 /nfs/dbraw/zinc/05/51/98/564055198.db2.gz TWBYNXVUIANOMD-OKZBNKHCSA-N 1 0 341.480 3.583 40 0 EHABRO c1csc([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257323054 564055447 /nfs/dbraw/zinc/05/54/47/564055447.db2.gz WIOQDTAZAVEWEJ-KRWDZBQOSA-N 1 0 336.464 3.980 40 0 EHABRO Cc1cc2nc([C@@H]3CCC[N@@H+](C[C@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000012667439 564127878 /nfs/dbraw/zinc/12/78/78/564127878.db2.gz FFJUBRKZDFQDBJ-MAUKXSAKSA-N 1 0 349.482 3.603 40 0 EHABRO Cc1ccccc1C[NH2+]C[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096269384 564146205 /nfs/dbraw/zinc/14/62/05/564146205.db2.gz NSCLPRJRMDBYLZ-IBGZPJMESA-N 1 0 333.435 3.547 40 0 biogenic,in-vitro EHABRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714533 564150415 /nfs/dbraw/zinc/15/04/15/564150415.db2.gz AYRHIEIVWIXGOF-RCLSDMTESA-N 1 0 328.500 3.901 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000260529605 1017048844 /nfs/dbraw/zinc/04/88/44/1017048844.db2.gz RXZKIHHYUJKCKH-RBUKOAKNSA-N 1 0 346.515 3.842 40 0 EHABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)c(F)c1 ZINC000061247012 214658696 /nfs/dbraw/zinc/65/86/96/214658696.db2.gz OJNFTWZMHQCPAZ-UHFFFAOYSA-N 1 0 327.444 3.517 40 0 EHABRO CCC(=O)N(CCC[NH+](C)C)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004215098 210145819 /nfs/dbraw/zinc/14/58/19/210145819.db2.gz PSSJKANPSRTRNS-UHFFFAOYSA-N 1 0 347.484 3.513 40 0 EHABRO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@H+](Cc3cccs3)[C@@H]2C1 ZINC000072330639 216155408 /nfs/dbraw/zinc/15/54/08/216155408.db2.gz WXCOREGQRFIJLD-FUHWJXTLSA-N 1 0 332.513 3.751 40 0 EHABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072345881 216159474 /nfs/dbraw/zinc/15/94/74/216159474.db2.gz HAIBHZOCHPGERW-HNNXBMFYSA-N 1 0 340.446 3.987 40 0 EHABRO C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NC2(C)CCC2)C1 ZINC000072352601 216163048 /nfs/dbraw/zinc/16/30/48/216163048.db2.gz IDWRRYXNOQIPFU-ZDUSSCGKSA-N 1 0 328.481 3.993 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)cc1 ZINC000072378694 216181830 /nfs/dbraw/zinc/18/18/30/216181830.db2.gz LHPRIICSQIXILS-IBGZPJMESA-N 1 0 334.423 3.613 40 0 EHABRO Fc1ccc(C2CC[NH2+]CC2)c(COc2ccc3c(c2)OCO3)c1 ZINC000022007560 212270242 /nfs/dbraw/zinc/27/02/42/212270242.db2.gz CSKMWOAKBALBOD-UHFFFAOYSA-N 1 0 329.371 3.600 40 0 EHABRO Cc1cnc([C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)s1 ZINC000257245025 244254892 /nfs/dbraw/zinc/25/48/92/244254892.db2.gz INVABXNQKBGMFD-KRWDZBQOSA-N 1 0 343.496 3.533 40 0 EHABRO c1cnc(Nc2ccc([C@H]3CCCC[N@H+]3Cc3ccncc3)cn2)nc1 ZINC000257231812 244217959 /nfs/dbraw/zinc/21/79/59/244217959.db2.gz GIHJAAVJNYDAQG-GOSISDBHSA-N 1 0 346.438 3.737 40 0 EHABRO CS[C@H]1CCCCCCCC[C@H]2COC[C@@H]2[C@@H]1[NH+]1CCOCC1 ZINC000020111419 212102280 /nfs/dbraw/zinc/10/22/80/212102280.db2.gz BAGWWHWHYXXQCV-VJANTYMQSA-N 1 0 341.561 3.816 40 0 EHABRO C[N@@H+]1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCCN2C(=O)c1ccccn1 ZINC000257248303 244262204 /nfs/dbraw/zinc/26/22/04/244262204.db2.gz JDAQVHXDNYXYON-JBACZVJFSA-N 1 0 349.478 3.564 40 0 EHABRO C[NH+](C)C1(Cn2cncc2-c2cnn(-c3ccccc3)c2)CCCC1 ZINC000019719701 212057654 /nfs/dbraw/zinc/05/76/54/212057654.db2.gz RUTPSRACONEGHS-UHFFFAOYSA-N 1 0 335.455 3.610 40 0 EHABRO CCn1nc(C)c(-c2cncn2C[C@H](C)[NH+]2CCC(C)CC2)c1C ZINC000019719610 212057245 /nfs/dbraw/zinc/05/72/45/212057245.db2.gz OMGHVVCZXJSYIW-HNNXBMFYSA-N 1 0 329.492 3.504 40 0 EHABRO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@@H+]2CC(C)(C)C)n1 ZINC000019690971 212055341 /nfs/dbraw/zinc/05/53/41/212055341.db2.gz WXALDVNCAZOLMM-KRWDZBQOSA-N 1 0 325.460 3.612 40 0 EHABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000019461049 212030764 /nfs/dbraw/zinc/03/07/64/212030764.db2.gz WPQXVXCKHAHIJC-UHFFFAOYSA-N 1 0 338.499 3.788 40 0 EHABRO Fc1ccccc1C[NH+]1CCC(c2nnc(-c3ccncc3)o2)CC1 ZINC000019348927 212019671 /nfs/dbraw/zinc/01/96/71/212019671.db2.gz BRSSAQPYMWCTSH-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO Fc1ccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019341472 212018335 /nfs/dbraw/zinc/01/83/35/212018335.db2.gz DCFXZFMOLDCXAC-UHFFFAOYSA-N 1 0 338.386 3.650 40 0 EHABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4cccnc4)CC3)o2)s1 ZINC000019217864 212005056 /nfs/dbraw/zinc/00/50/56/212005056.db2.gz GEXXVJAMKJSMRY-UHFFFAOYSA-N 1 0 340.452 3.881 40 0 EHABRO Cc1cccc(C2(O)CC[NH+](Cc3ccccc3-n3cccn3)CC2)c1 ZINC000012328802 211348535 /nfs/dbraw/zinc/34/85/35/211348535.db2.gz QRHOTTOZKMCLAD-UHFFFAOYSA-N 1 0 347.462 3.664 40 0 EHABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(Cl)c(Cl)c2)on1 ZINC000012366564 211357262 /nfs/dbraw/zinc/35/72/62/211357262.db2.gz LREHOHDDBZUMLB-MLGOLLRUSA-N 1 0 341.238 3.637 40 0 EHABRO O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009062638 211037632 /nfs/dbraw/zinc/03/76/32/211037632.db2.gz CCNKDCUBFVUSRV-GMBSWORKSA-N 1 0 346.902 3.857 40 0 EHABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)CC2CCCCC2)n1 ZINC000257260511 536039677 /nfs/dbraw/zinc/03/96/77/536039677.db2.gz LDEVUFYZTDTIFH-IBGZPJMESA-N 1 0 329.488 3.777 40 0 EHABRO CCCC[NH2+][C@H](c1ccc(OC)cc1)[C@H](O)c1ccc(OC)cc1 ZINC000001667063 563401055 /nfs/dbraw/zinc/40/10/55/563401055.db2.gz KKNCJFHFHVEYGP-WOJBJXKFSA-N 1 0 329.440 3.868 40 0 EHABRO CC[NH+](CC)CCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001668773 563401422 /nfs/dbraw/zinc/40/14/22/563401422.db2.gz OFYQRWBTZQABFW-RTWAWAEBSA-N 1 0 326.484 3.783 40 0 EHABRO Cc1cc(OC(C)C)cc(C)c1C(=O)OC[C@@H](C)C[NH+]1CCCC1 ZINC000001712590 563406137 /nfs/dbraw/zinc/40/61/37/563406137.db2.gz UTKSDNCXIRMQFY-HNNXBMFYSA-N 1 0 333.472 3.979 40 0 EHABRO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cc1O ZINC000012187039 563655434 /nfs/dbraw/zinc/65/54/34/563655434.db2.gz DPPBGYIFDFNOIS-GOSISDBHSA-N 1 0 345.414 3.721 40 0 EHABRO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000057989852 563936139 /nfs/dbraw/zinc/93/61/39/563936139.db2.gz YTXKCDZSBCXIHC-MRXNPFEDSA-N 1 0 338.451 3.782 40 0 EHABRO c1csc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)c1 ZINC000585104414 563971605 /nfs/dbraw/zinc/97/16/05/563971605.db2.gz IEFUGNSCPWWULJ-QGZVFWFLSA-N 1 0 335.513 3.936 40 0 EHABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC000096029447 563977917 /nfs/dbraw/zinc/97/79/17/563977917.db2.gz RHHUBUVWRCQLHM-UHFFFAOYSA-N 1 0 338.879 3.859 40 0 EHABRO O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096046556 563978123 /nfs/dbraw/zinc/97/81/23/563978123.db2.gz SRUICLYTNYTANR-UHFFFAOYSA-N 1 0 346.521 3.938 40 0 EHABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1cccs1)CC2 ZINC000096049267 563978460 /nfs/dbraw/zinc/97/84/60/563978460.db2.gz XPCAEPMQENJNDV-UHFFFAOYSA-N 1 0 334.529 3.999 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)o1 ZINC000096050863 563978465 /nfs/dbraw/zinc/97/84/65/563978465.db2.gz LQGNXUNGMQBUDQ-SFHVURJKSA-N 1 0 330.453 3.587 40 0 EHABRO Fc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053870 563978731 /nfs/dbraw/zinc/97/87/31/563978731.db2.gz PNYZITIRFMNGIG-HDICACEKSA-N 1 0 328.406 3.529 40 0 EHABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1cccs1)CC2 ZINC000096061431 563978899 /nfs/dbraw/zinc/97/88/99/563978899.db2.gz ATHBREHGDHGTNP-SFHVURJKSA-N 1 0 340.492 3.729 40 0 EHABRO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096070607 563978973 /nfs/dbraw/zinc/97/89/73/563978973.db2.gz WJWSWQRMTOIPKG-RRFJBIMHSA-N 1 0 345.468 3.669 40 0 EHABRO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2cccnc2)C3)cs1 ZINC000096111028 563979323 /nfs/dbraw/zinc/97/93/23/563979323.db2.gz VQVNILFHMWGYON-MJGOQNOKSA-N 1 0 343.496 3.665 40 0 EHABRO Cc1ccc(CN2CCC[C@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)o1 ZINC000096215874 563980295 /nfs/dbraw/zinc/98/02/95/563980295.db2.gz SCYCQSCMSOPXBO-FQEVSTJZSA-N 1 0 328.456 3.978 40 0 EHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ccccn2)C3)cc1 ZINC000096216652 563980336 /nfs/dbraw/zinc/98/03/36/563980336.db2.gz VFXBYIJWMFHSBX-OAQYLSRUSA-N 1 0 337.467 3.583 40 0 EHABRO Cc1noc(C)c1CN1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096215996 563980382 /nfs/dbraw/zinc/98/03/82/563980382.db2.gz OEJCXJUMWYHSFS-OAQYLSRUSA-N 1 0 339.483 3.780 40 0 EHABRO Cc1cccc(C[NH+]2CCC3(C[C@@H](Nc4ccccn4)CO3)CC2)c1 ZINC000096221369 563980430 /nfs/dbraw/zinc/98/04/30/563980430.db2.gz GJGYNYBAKZMIHI-LJQANCHMSA-N 1 0 337.467 3.626 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]Cc3cccc(F)c3F)[C@H]2O)c1 ZINC000585288535 563982063 /nfs/dbraw/zinc/98/20/63/563982063.db2.gz DAFITUOKGPDFLB-NLWGTHIKSA-N 1 0 347.405 3.724 40 0 EHABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260408598 563998113 /nfs/dbraw/zinc/99/81/13/563998113.db2.gz BZOPGCRCZISMFU-MOPGFXCFSA-N 1 0 346.515 3.923 40 0 EHABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000156331158 564008967 /nfs/dbraw/zinc/00/89/67/564008967.db2.gz AGZNNJLUQBSMLD-ZDUSSCGKSA-N 1 0 340.920 3.669 40 0 EHABRO CC(C)(C)c1nnc([C@H]2CC[N@H+](Cc3cnc4ccccc4c3)C2)o1 ZINC000049170608 564032609 /nfs/dbraw/zinc/03/26/09/564032609.db2.gz LIKKUJDYEDEMGC-INIZCTEOSA-N 1 0 336.439 3.905 40 0 biogenic,in-vitro EHABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)cc1C ZINC000225372240 564046249 /nfs/dbraw/zinc/04/62/49/564046249.db2.gz GCLPZMRZGVJPDK-SFHVURJKSA-N 1 0 332.488 3.778 40 0 EHABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000225587377 564048087 /nfs/dbraw/zinc/04/80/87/564048087.db2.gz SLTIVVLTHYEAFS-ZDUSSCGKSA-N 1 0 344.377 3.831 40 0 EHABRO CCOC1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCCC1 ZINC000225706555 564049606 /nfs/dbraw/zinc/04/96/06/564049606.db2.gz OZGRXRVLYPNCEO-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000029904300 564049724 /nfs/dbraw/zinc/04/97/24/564049724.db2.gz JDNYPYFUNPVVQH-UHFFFAOYSA-N 1 0 338.451 3.854 40 0 EHABRO CO[C@H]1CCCOC12CC[NH+](Cc1c(C)[nH]c3ccc(F)cc31)CC2 ZINC000257298461 564055023 /nfs/dbraw/zinc/05/50/23/564055023.db2.gz RLSYRZPQVKLKKQ-IBGZPJMESA-N 1 0 346.446 3.775 40 0 EHABRO CNc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2scnc2C)n1 ZINC000257302107 564055083 /nfs/dbraw/zinc/05/50/83/564055083.db2.gz SBOMVIBNZZAMGX-MRXNPFEDSA-N 1 0 330.501 3.876 40 0 EHABRO CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cscn2)n1 ZINC000257333119 564055577 /nfs/dbraw/zinc/05/55/77/564055577.db2.gz YAFQIBSMZRGFBN-QGZVFWFLSA-N 1 0 330.501 3.591 40 0 EHABRO c1coc(C[N@@H+]2CC[C@@]3(CCn4c(-c5cccs5)cnc43)C2)c1 ZINC000306132140 564062134 /nfs/dbraw/zinc/06/21/34/564062134.db2.gz KZZSDZCQYUTEDL-GOSISDBHSA-N 1 0 325.437 3.752 40 0 EHABRO CC[C@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C)[nH+]1 ZINC000328975448 564071118 /nfs/dbraw/zinc/07/11/18/564071118.db2.gz FKOMKYHTCLJQNL-KBPBESRZSA-N 1 0 340.471 3.611 40 0 EHABRO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+](CC)C2CCCCC2)cc1 ZINC000016739470 564085452 /nfs/dbraw/zinc/08/54/52/564085452.db2.gz NZZGMYGYXVRAOT-SFHVURJKSA-N 1 0 333.472 3.674 40 0 EHABRO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCCCCC1 ZINC000009063388 564127614 /nfs/dbraw/zinc/12/76/14/564127614.db2.gz FZQRCPUZVIWROC-UHFFFAOYSA-N 1 0 334.891 3.955 40 0 EHABRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2)c1 ZINC000016352407 564177019 /nfs/dbraw/zinc/17/70/19/564177019.db2.gz ZGSJHDUHKWWBFB-RTBURBONSA-N 1 0 327.424 3.574 40 0 EHABRO Cc1cccc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306128666 1137871343 /nfs/dbraw/zinc/87/13/43/1137871343.db2.gz HHUPPPUIGJYJJO-MOPGFXCFSA-N 1 0 344.462 3.558 40 0 EHABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCCC1 ZINC000044948009 213685232 /nfs/dbraw/zinc/68/52/32/213685232.db2.gz CCOBBNSZLFABQA-FQEVSTJZSA-N 1 0 340.467 3.599 40 0 EHABRO [NH3+]C[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000001576546 209761588 /nfs/dbraw/zinc/76/15/88/209761588.db2.gz GARRZRFRVPZILZ-QXGXAUQUSA-N 1 0 329.869 3.797 40 0 EHABRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038835081 213228713 /nfs/dbraw/zinc/22/87/13/213228713.db2.gz VIPJPXOKWALQGW-INIZCTEOSA-N 1 0 342.414 3.685 40 0 EHABRO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000038834332 213228209 /nfs/dbraw/zinc/22/82/09/213228209.db2.gz HNOBEUVOVKRPEA-GOSISDBHSA-N 1 0 338.451 3.936 40 0 EHABRO Cc1ccc2oc([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446503 213028853 /nfs/dbraw/zinc/02/88/53/213028853.db2.gz JTKBQYJHIPZJQZ-HNNXBMFYSA-N 1 0 336.391 3.854 40 0 biogenic,in-vitro EHABRO O=C(OCc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072202918 216069204 /nfs/dbraw/zinc/06/92/04/216069204.db2.gz WJKNNTIIIZOBGQ-KRWDZBQOSA-N 1 0 345.389 3.920 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@H]2c2cncc(Nc3ccccn3)n2)cc1 ZINC000072376234 216178464 /nfs/dbraw/zinc/17/84/64/216178464.db2.gz JHWSFZBWNTYAFM-IBGZPJMESA-N 1 0 345.450 3.995 40 0 EHABRO Fc1ccc(Oc2cncc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072384259 216185662 /nfs/dbraw/zinc/18/56/62/216185662.db2.gz WGKIOWXGOQSYCG-GOSISDBHSA-N 1 0 343.402 3.724 40 0 EHABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000022529505 212305449 /nfs/dbraw/zinc/30/54/49/212305449.db2.gz UGSHBJFKUCTFFG-IBGZPJMESA-N 1 0 346.515 3.699 40 0 EHABRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000022074796 212275777 /nfs/dbraw/zinc/27/57/77/212275777.db2.gz SVQJPDQLOBRMGP-OAHLLOKOSA-N 1 0 326.223 3.825 40 0 EHABRO c1ccc(C[N@@H+]2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257223891 244195259 /nfs/dbraw/zinc/19/52/59/244195259.db2.gz DZJQASZLWSBTIC-SFHVURJKSA-N 1 0 345.450 3.995 40 0 EHABRO Cc1cncc([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257241340 244244738 /nfs/dbraw/zinc/24/47/38/244244738.db2.gz HXRXVMKGHYTYOF-QGZVFWFLSA-N 1 0 333.439 3.555 40 0 EHABRO CCCn1nc(C)c(-c2cncn2C[C@@H](C)[NH+]2CCCCC2)c1C ZINC000019654559 212053239 /nfs/dbraw/zinc/05/32/39/212053239.db2.gz PRKIZDUHAILHNZ-OAHLLOKOSA-N 1 0 329.492 3.648 40 0 EHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000019557581 212043115 /nfs/dbraw/zinc/04/31/15/212043115.db2.gz AUMKXFZCRHJWFM-CGXNFDGLSA-N 1 0 327.468 3.904 40 0 EHABRO CC(C)[C@@H]([NH2+]CC1CCCCC1)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019445659 212029068 /nfs/dbraw/zinc/02/90/68/212029068.db2.gz RADZMAVYXCMYAD-LJQANCHMSA-N 1 0 340.471 3.699 40 0 EHABRO c1ccc([C@@H]2CCC[N@@H+](Cc3ccnc(-c4ccncc4)n3)C2)cc1 ZINC000019369956 212023077 /nfs/dbraw/zinc/02/30/77/212023077.db2.gz FAPXUJBGSISSIZ-LJQANCHMSA-N 1 0 330.435 3.918 40 0 EHABRO O=C(c1cc2c(cccc2F)[nH]1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019345279 212019301 /nfs/dbraw/zinc/01/93/01/212019301.db2.gz FHFWZBNEGIYITE-HNNXBMFYSA-N 1 0 343.446 3.788 40 0 EHABRO O=c1[nH]cc(-c2ccc(F)cc2)cc1C[NH2+]Cc1ccccc1F ZINC000019349550 212019141 /nfs/dbraw/zinc/01/91/41/212019141.db2.gz TVDDZBPEJQSRHT-UHFFFAOYSA-N 1 0 326.346 3.610 40 0 EHABRO Cc1cc2cc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)ccc2o1 ZINC000012198409 211318345 /nfs/dbraw/zinc/31/83/45/211318345.db2.gz IWRFPNNFUREMND-SFHVURJKSA-N 1 0 340.398 3.913 40 0 EHABRO CCCn1ncc(C[NH+]2CCC(c3cc4cccnc4[nH]3)CC2)c1C ZINC000012133382 211301127 /nfs/dbraw/zinc/30/11/27/211301127.db2.gz HUCWZEJIGYQIAO-UHFFFAOYSA-N 1 0 337.471 3.857 40 0 EHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2c[nH]nc2-c2ccccc2)on1 ZINC000012128414 211300058 /nfs/dbraw/zinc/30/00/58/211300058.db2.gz MUSPUMYCMICZBW-QFBILLFUSA-N 1 0 336.439 3.874 40 0 EHABRO Cc1ccc(CN(Cc2ncc[nH]2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116745 211296526 /nfs/dbraw/zinc/29/65/26/211296526.db2.gz KXEDECGRWFXRRH-UHFFFAOYSA-N 1 0 330.476 3.623 40 0 EHABRO COc1ccc([C@@](C)(O)[C@@H](c2ccccc2)[C@@H]2CCCC[NH2+]2)cc1 ZINC000004782912 210277587 /nfs/dbraw/zinc/27/75/87/210277587.db2.gz HGOAFHCXOPDXNZ-PCCBWWKXSA-N 1 0 325.452 3.829 40 0 EHABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219614 257686565 /nfs/dbraw/zinc/68/65/65/257686565.db2.gz GHFLHNDZNPBCJE-FQEVSTJZSA-N 1 0 337.467 3.564 40 0 EHABRO O=C(Nc1cccnc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063395 257862496 /nfs/dbraw/zinc/86/24/96/257862496.db2.gz TZLWJLXIXROITA-UHFFFAOYSA-N 1 0 329.831 3.586 40 0 EHABRO CC1CC[NH+](CCCNC(=S)Nc2ccccc2Cl)CC1 ZINC000018168902 563850043 /nfs/dbraw/zinc/85/00/43/563850043.db2.gz ZHUQPOPQSBQBCT-UHFFFAOYSA-N 1 0 325.909 3.748 40 0 EHABRO [NH3+]C[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000005707025 563546592 /nfs/dbraw/zinc/54/65/92/563546592.db2.gz GARRZRFRVPZILZ-DKPVMLCSSA-N 1 0 329.869 3.797 40 0 EHABRO COc1ccc([C@@](O)(C[NH2+]C2CCCCC2)c2ccccc2)cc1 ZINC000006484476 563569198 /nfs/dbraw/zinc/56/91/98/563569198.db2.gz DNIJICOBSXATPD-OAQYLSRUSA-N 1 0 325.452 3.853 40 0 EHABRO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCc1ccccc1 ZINC000008337087 563627517 /nfs/dbraw/zinc/62/75/17/563627517.db2.gz KPCULODWBBTYEA-GOSISDBHSA-N 1 0 329.440 3.525 40 0 EHABRO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008337122 563627547 /nfs/dbraw/zinc/62/75/47/563627547.db2.gz SYNWNJLMFGJBPI-QGZVFWFLSA-N 1 0 349.858 3.788 40 0 EHABRO CCn1cncc1C[N@H+](CCCn1ccnc1)Cc1ccc(C)s1 ZINC000043277893 563925629 /nfs/dbraw/zinc/92/56/29/563925629.db2.gz XKCPDWFSOSTELA-UHFFFAOYSA-N 1 0 343.500 3.562 40 0 EHABRO Cc1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000046103175 563929445 /nfs/dbraw/zinc/92/94/45/563929445.db2.gz ABUAGNCXMZDIAC-UHFFFAOYSA-N 1 0 339.508 3.730 40 0 EHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 ZINC000257330094 563970618 /nfs/dbraw/zinc/97/06/18/563970618.db2.gz XMTNOSDZYDYGKA-MBOZVWFJSA-N 1 0 343.515 3.797 40 0 EHABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100790 563971494 /nfs/dbraw/zinc/97/14/94/563971494.db2.gz WSFJDOUUTOEEBZ-KBXCAEBGSA-N 1 0 335.517 3.597 40 0 EHABRO O=C(c1ccsc1)N1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC000096046654 563978094 /nfs/dbraw/zinc/97/80/94/563978094.db2.gz HLYVPOZTXJMKGH-UHFFFAOYSA-N 1 0 346.521 3.938 40 0 EHABRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096048743 563978356 /nfs/dbraw/zinc/97/83/56/563978356.db2.gz PGCPLEKOECIORY-LJQANCHMSA-N 1 0 344.455 3.906 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096048251 563978379 /nfs/dbraw/zinc/97/83/79/563978379.db2.gz DPHIXUKXHVKHPN-PKOBYXMFSA-N 1 0 344.480 3.654 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)o1 ZINC000096050570 563978428 /nfs/dbraw/zinc/97/84/28/563978428.db2.gz VDBOJIMCTRWGRT-OAQYLSRUSA-N 1 0 338.451 3.521 40 0 EHABRO FC1(F)CC[N@H+](Cc2ccsc2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051126 563978521 /nfs/dbraw/zinc/97/85/21/563978521.db2.gz RCIRRBSPFNUFDV-QGZVFWFLSA-N 1 0 349.450 3.881 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096215872 563980314 /nfs/dbraw/zinc/98/03/14/563980314.db2.gz RFZRQIIELBVARG-GOSISDBHSA-N 1 0 331.485 3.533 40 0 EHABRO Cc1ccccc1NC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1Cc1ccccc1 ZINC000096261356 563980659 /nfs/dbraw/zinc/98/06/59/563980659.db2.gz HWZWQGAITGKJKA-UXHICEINSA-N 1 0 337.467 3.774 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCc3ccccc3C)[C@H]2O)c1 ZINC000585289267 563981996 /nfs/dbraw/zinc/98/19/96/563981996.db2.gz OYWGIDCPYOCCPB-BHDDXSALSA-N 1 0 339.479 3.797 40 0 EHABRO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)c1 ZINC000585289340 563982034 /nfs/dbraw/zinc/98/20/34/563982034.db2.gz PZUNBCDXJJSODO-BHDDXSALSA-N 1 0 339.479 3.797 40 0 EHABRO COc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000009063463 564016621 /nfs/dbraw/zinc/01/66/21/564016621.db2.gz IOBLTIGDUMYKGQ-UHFFFAOYSA-N 1 0 342.414 3.685 40 0 EHABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000222639744 564037254 /nfs/dbraw/zinc/03/72/54/564037254.db2.gz SDTFOIJEYRQYHR-CQSZACIVSA-N 1 0 338.879 3.591 40 0 EHABRO C[C@@H]1CCC[N@H+](CCCNC(=O)C2(c3ccccc3)CCCC2)C1 ZINC000224425431 564042695 /nfs/dbraw/zinc/04/26/95/564042695.db2.gz GYZGKQIJWQNWME-GOSISDBHSA-N 1 0 328.500 3.737 40 0 EHABRO Cc1cc(C)cc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c1 ZINC000225215637 564045453 /nfs/dbraw/zinc/04/54/53/564045453.db2.gz VLUYFEDNNQHFFC-UHFFFAOYSA-N 1 0 349.569 3.513 40 0 EHABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225693127 564049470 /nfs/dbraw/zinc/04/94/70/564049470.db2.gz WJUYIBVQUGJNTA-IBGZPJMESA-N 1 0 336.476 3.551 40 0 EHABRO COc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1C(C)C ZINC000260801764 564052613 /nfs/dbraw/zinc/05/26/13/564052613.db2.gz LXOMFUQKBQPOML-INIZCTEOSA-N 1 0 346.515 3.979 40 0 EHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812444 564052625 /nfs/dbraw/zinc/05/26/25/564052625.db2.gz BNOLJANVSRFANS-UZLBHIALSA-N 1 0 348.487 3.693 40 0 EHABRO COC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260818183 564052658 /nfs/dbraw/zinc/05/26/58/564052658.db2.gz WVTPXWAGCIVBIE-MRXNPFEDSA-N 1 0 348.487 3.693 40 0 EHABRO Cc1nc(COCC[C@H]2C[N@@H+](C3CCCC3)Cc3ccnn32)cs1 ZINC000248034275 564052931 /nfs/dbraw/zinc/05/29/31/564052931.db2.gz MXLTXBXUZHJFPC-SFHVURJKSA-N 1 0 346.500 3.554 40 0 EHABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257332567 564055624 /nfs/dbraw/zinc/05/56/24/564055624.db2.gz XXWPFDNHXZXDIV-OAQYLSRUSA-N 1 0 348.450 3.536 40 0 EHABRO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](CC2CCCCC2)C1 ZINC000015674908 564070535 /nfs/dbraw/zinc/07/05/35/564070535.db2.gz CQDGOWMPOOFBMD-SJORKVTESA-N 1 0 345.418 3.564 40 0 biogenic,in-vitro EHABRO CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@H](C)CC)[nH+]1 ZINC000329047243 564071933 /nfs/dbraw/zinc/07/19/33/564071933.db2.gz UFRDPROLGLNJRP-OAHLLOKOSA-N 1 0 338.499 3.969 40 0 EHABRO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCCC[C@H]3N2)cc1 ZINC000238808733 564087941 /nfs/dbraw/zinc/08/79/41/564087941.db2.gz ORASFJUSJVJPBV-FGTMMUONSA-N 1 0 346.471 3.888 40 0 EHABRO Cc1nc2sccn2c1CN1CCCCC[C@@H]2[N@H+](C)CC[C@@]21C ZINC000019713351 564128089 /nfs/dbraw/zinc/12/80/89/564128089.db2.gz ZJQXLAIVJMOZCH-WMZOPIPTSA-N 1 0 332.517 3.543 40 0 EHABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccc(-c2ccccn2)cc1 ZINC000019712586 564128105 /nfs/dbraw/zinc/12/81/05/564128105.db2.gz WNENZXUDPJMBIS-FGZHOGPDSA-N 1 0 349.478 3.724 40 0 EHABRO CCc1ccc2occ(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2c1 ZINC000027587538 564132345 /nfs/dbraw/zinc/13/23/45/564132345.db2.gz DZPQWWLPEHLMOM-UHFFFAOYSA-N 1 0 342.483 3.963 40 0 EHABRO C[NH+]1CCC(OC(=O)C(Cl)(c2ccccc2)c2ccccc2)CC1 ZINC000067665340 215177497 /nfs/dbraw/zinc/17/74/97/215177497.db2.gz GTBMJPGBWMJLAY-UHFFFAOYSA-N 1 0 343.854 3.806 40 0 in-vitro EHABRO O=C1C(c2ccccc2)N(c2ccccc2)C(=O)[C@@H]1C[NH+]1CCCC1 ZINC000104269458 219368521 /nfs/dbraw/zinc/36/85/21/219368521.db2.gz OFEASNCDEQSCSK-GOSISDBHSA-N 1 0 334.419 3.672 40 0 EHABRO O[C@@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000040373041 213292877 /nfs/dbraw/zinc/29/28/77/213292877.db2.gz BYAFBBIJEKEDLZ-OAQYLSRUSA-N 1 0 339.479 3.682 40 0 EHABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000035590831 213039923 /nfs/dbraw/zinc/03/99/23/213039923.db2.gz FFWOYTOSUZFZMF-BJLQDIEVSA-N 1 0 349.515 3.544 40 0 EHABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1F ZINC000035288578 213018163 /nfs/dbraw/zinc/01/81/63/213018163.db2.gz ADVCJNUBJAULPW-AYHJJNSGSA-N 1 0 338.426 3.751 40 0 EHABRO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)n1 ZINC000072375925 216179391 /nfs/dbraw/zinc/17/93/91/216179391.db2.gz AOBZKNIXHNUIGM-MRXNPFEDSA-N 1 0 325.460 3.820 40 0 EHABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072379065 216180176 /nfs/dbraw/zinc/18/01/76/216180176.db2.gz GQGPIJRMKWJHAL-GOSISDBHSA-N 1 0 347.466 3.604 40 0 EHABRO Fc1ccc(Oc2cncc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072384258 216185510 /nfs/dbraw/zinc/18/55/10/216185510.db2.gz WGKIOWXGOQSYCG-SFHVURJKSA-N 1 0 343.402 3.724 40 0 EHABRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 ZINC000072390040 216189459 /nfs/dbraw/zinc/18/94/59/216189459.db2.gz ACAIHUAVHMLIAE-QGZVFWFLSA-N 1 0 334.423 3.820 40 0 EHABRO O=C(NCCC[NH+]1CCCCCC1)C1(c2ccccc2)CCCC1 ZINC000225155032 241805137 /nfs/dbraw/zinc/80/51/37/241805137.db2.gz LZCAJDCJEXAMGY-UHFFFAOYSA-N 1 0 328.500 3.881 40 0 EHABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225730107 242008323 /nfs/dbraw/zinc/00/83/23/242008323.db2.gz MLCWSIJXDOOUBR-HXUWFJFHSA-N 1 0 348.487 3.695 40 0 EHABRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000020494142 212140771 /nfs/dbraw/zinc/14/07/71/212140771.db2.gz KBJSVNGKCNXFSI-IBGZPJMESA-N 1 0 346.515 3.617 40 0 EHABRO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000253599265 244032003 /nfs/dbraw/zinc/03/20/03/244032003.db2.gz NCVANPLLFSUNST-MRXNPFEDSA-N 1 0 346.521 3.728 40 0 EHABRO Cc1nc(C2(C)CC[NH+](Cc3cccnc3)CC2)c2sccn12 ZINC000257258470 244291167 /nfs/dbraw/zinc/29/11/67/244291167.db2.gz KUBDAFMLCRKNKT-UHFFFAOYSA-N 1 0 326.469 3.653 40 0 EHABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccc2ccccc21 ZINC000257270152 244373065 /nfs/dbraw/zinc/37/30/65/244373065.db2.gz MSZGGKPSQMFKNL-YNFBMLRVSA-N 1 0 349.478 3.712 40 0 EHABRO C[C@@H](Cn1cncc1-c1cnn(Cc2ccccc2)c1)[NH+]1CCCCC1 ZINC000019719421 212056593 /nfs/dbraw/zinc/05/65/93/212056593.db2.gz NGADIRCEOBGSQL-SFHVURJKSA-N 1 0 349.482 3.669 40 0 EHABRO Cn1nccc1C[NH+]1CCC(c2ccc(Cc3ccccc3)cn2)CC1 ZINC000019690539 212055385 /nfs/dbraw/zinc/05/53/85/212055385.db2.gz HDRRMSJHJRCEQE-UHFFFAOYSA-N 1 0 346.478 3.786 40 0 EHABRO C[N@@H+](Cc1c2cccnc2[nH]c1-c1ccco1)C[C@@H](O)c1ccccc1 ZINC000019586382 212049595 /nfs/dbraw/zinc/04/95/95/212049595.db2.gz VPVVMGPLEUXTFB-GOSISDBHSA-N 1 0 347.418 3.988 40 0 EHABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cccnc1 ZINC000019590196 212049348 /nfs/dbraw/zinc/04/93/48/212049348.db2.gz WROKQPMXFVXEID-NJDAHSKKSA-N 1 0 349.478 3.564 40 0 EHABRO C[NH+](C)CCN(Cc1cccs1)CC1=Cc2ccccc2OC1 ZINC000019582658 212047361 /nfs/dbraw/zinc/04/73/61/212047361.db2.gz HUDOMHSOFULODC-UHFFFAOYSA-N 1 0 328.481 3.588 40 0 EHABRO Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000019563202 212044440 /nfs/dbraw/zinc/04/44/40/212044440.db2.gz SGQYTKBMAFDGCA-UHFFFAOYSA-N 1 0 340.452 3.881 40 0 EHABRO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019495815 212032442 /nfs/dbraw/zinc/03/24/42/212032442.db2.gz FVEFMSZTHXCPMG-ZKIDJSGLSA-N 1 0 326.484 3.511 40 0 EHABRO C[C@H]1CCCC[N@@H+]1CC(C)(C)NC(=O)c1cc(-c2cccs2)on1 ZINC000019496360 212031933 /nfs/dbraw/zinc/03/19/33/212031933.db2.gz XTRSLEARKFBKTN-ZDUSSCGKSA-N 1 0 347.484 3.786 40 0 EHABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000019373266 212024113 /nfs/dbraw/zinc/02/41/13/212024113.db2.gz YNWHHUBZZXPXGT-INIZCTEOSA-N 1 0 331.423 3.749 40 0 EHABRO c1csc(-c2noc([C@H]3CC[N@@H+](CCc4ccccc4)C3)n2)c1 ZINC000019371217 212022843 /nfs/dbraw/zinc/02/28/43/212022843.db2.gz KKGJXXVJQALWNZ-HNNXBMFYSA-N 1 0 325.437 3.830 40 0 EHABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000012362938 211355453 /nfs/dbraw/zinc/35/54/53/211355453.db2.gz VSFDQGYMQOQTAE-INIZCTEOSA-N 1 0 345.462 3.539 40 0 EHABRO OCCCn1cc(C[NH2+]C2(c3cccc(F)c3)CC2)c2ccccc21 ZINC000012361994 211355176 /nfs/dbraw/zinc/35/51/76/211355176.db2.gz NZCBOPOSZHGTJE-UHFFFAOYSA-N 1 0 338.426 3.942 40 0 EHABRO OCCOc1ccccc1[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000006580602 210657021 /nfs/dbraw/zinc/65/70/21/210657021.db2.gz NGZRVPZBAAAMOZ-FQEVSTJZSA-N 1 0 325.452 3.827 40 0 EHABRO CCOC(=O)CCCCCC[NH+](C)CCCCCCC(=O)OCC ZINC000004975022 210344573 /nfs/dbraw/zinc/34/45/73/210344573.db2.gz BCGGMLNFYJCSJP-UHFFFAOYSA-N 1 0 343.508 3.945 40 0 EHABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000118913988 221203145 /nfs/dbraw/zinc/20/31/45/221203145.db2.gz GLWKVBMAXIHLJD-QYLGYJGISA-N 1 0 349.559 3.732 40 0 EHABRO O=C(Nc1c(F)cccc1F)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039772153 257854618 /nfs/dbraw/zinc/85/46/18/257854618.db2.gz VRRIQOKEDIFOPH-UHFFFAOYSA-N 1 0 348.368 3.955 40 0 EHABRO CCOc1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000225400402 535469186 /nfs/dbraw/zinc/46/91/86/535469186.db2.gz DQFJLZYUXMSSCD-UHFFFAOYSA-N 1 0 335.517 3.638 40 0 EHABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225714424 535545373 /nfs/dbraw/zinc/54/53/73/535545373.db2.gz LFLBFALXLKGSKE-UZLBHIALSA-N 1 0 348.487 3.551 40 0 EHABRO O=C(CCC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000000001910 563211342 /nfs/dbraw/zinc/21/13/42/563211342.db2.gz FEFFZKPQSVTBAY-UHFFFAOYSA-N 1 0 341.426 3.772 40 0 in-vitro EHABRO CCOc1ccc2[nH]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000000948994 563366309 /nfs/dbraw/zinc/36/63/09/563366309.db2.gz PYTQTWIMKSSPDX-UHFFFAOYSA-N 1 0 328.456 4.000 40 0 EHABRO C[NH+]1CCC(SC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 ZINC000005599831 563542141 /nfs/dbraw/zinc/54/21/41/563542141.db2.gz DPJQXPARYDNCFD-FQEVSTJZSA-N 1 0 347.524 3.809 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@H]1CCCC[C@H]1C(=O)C1CCCCC1 ZINC000006382270 563566533 /nfs/dbraw/zinc/56/65/33/563566533.db2.gz GCSXQKJRCSGYPB-MSOLQXFVSA-N 1 0 337.504 3.827 40 0 EHABRO O=C(N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1)C1(F)CC1 ZINC000585100371 563971358 /nfs/dbraw/zinc/97/13/58/563971358.db2.gz JOSOCOULMRAKRM-LJQANCHMSA-N 1 0 348.437 3.675 40 0 EHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2ccccn2)co1 ZINC000585105165 563971574 /nfs/dbraw/zinc/97/15/74/563971574.db2.gz PIIGTHSNDXHTBO-SFHVURJKSA-N 1 0 342.439 3.515 40 0 EHABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096050612 563978529 /nfs/dbraw/zinc/97/85/29/563978529.db2.gz OUMSEOHVYSPQCX-LJQANCHMSA-N 1 0 344.455 3.512 40 0 EHABRO Cc1ncsc1C[N@@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC000096111040 563979284 /nfs/dbraw/zinc/97/92/84/563979284.db2.gz CBXZOCSLLNJLJR-MJGOQNOKSA-N 1 0 343.496 3.665 40 0 EHABRO COc1ccc(C[C@H]2C[N@@H+](Cc3nc(C)cs3)CC[C@H]2OC)cc1 ZINC000096110264 563979298 /nfs/dbraw/zinc/97/92/98/563979298.db2.gz JFQZITPXYUVWRP-FUHWJXTLSA-N 1 0 346.496 3.540 40 0 EHABRO Cc1ccncc1COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000096206329 563980155 /nfs/dbraw/zinc/98/01/55/563980155.db2.gz SQQZFUIVSRLSOA-CTNGQTDRSA-N 1 0 337.467 3.604 40 0 EHABRO Cc1ccsc1C[NH+]1CCC2(CC[C@@H](c3nc(C)no3)O2)CC1 ZINC000096219215 563980415 /nfs/dbraw/zinc/98/04/15/563980415.db2.gz JXIYZQSZTSJTIM-AWEZNQCLSA-N 1 0 333.457 3.634 40 0 EHABRO CC(C)C(=O)N1C[C@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000096244862 563980549 /nfs/dbraw/zinc/98/05/49/563980549.db2.gz ZMBLHFXFTKSPET-IFMALSPDSA-N 1 0 348.490 3.617 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2F)[C@H]1O ZINC000585289281 563982005 /nfs/dbraw/zinc/98/20/05/563982005.db2.gz OZDXZZOVLMJZLW-DFQSSKMNSA-N 1 0 329.415 3.585 40 0 EHABRO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1cccs1 ZINC000008254746 564016004 /nfs/dbraw/zinc/01/60/04/564016004.db2.gz NBBFJKGVFWHOND-INIZCTEOSA-N 1 0 347.480 3.994 40 0 EHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1c(F)cccc1F ZINC000225582381 564047996 /nfs/dbraw/zinc/04/79/96/564047996.db2.gz LVOANNZBEYEXKS-CYBMUJFWSA-N 1 0 341.471 3.906 40 0 EHABRO COC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225599744 564048205 /nfs/dbraw/zinc/04/82/05/564048205.db2.gz WVTPXWAGCIVBIE-INIZCTEOSA-N 1 0 348.487 3.693 40 0 EHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)s1 ZINC000248119192 564052987 /nfs/dbraw/zinc/05/29/87/564052987.db2.gz ULHVZKGBOYPKKL-BPQIPLTHSA-N 1 0 344.480 3.510 40 0 EHABRO c1cncc(COCC[C@@H]2CCOC23CC[NH+](CC2CCC2)CC3)c1 ZINC000248338222 564053172 /nfs/dbraw/zinc/05/31/72/564053172.db2.gz RCOZJPJAHMDCKU-HXUWFJFHSA-N 1 0 344.499 3.660 40 0 EHABRO CC[C@@H](C)Nc1nc(NCc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329031820 564071757 /nfs/dbraw/zinc/07/17/57/564071757.db2.gz QLVKVMVDSMQJBD-GFCCVEGCSA-N 1 0 330.863 3.674 40 0 EHABRO COc1ccccc1CNc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000329038681 564071793 /nfs/dbraw/zinc/07/17/93/564071793.db2.gz RUMKRWOUFHCYTQ-UHFFFAOYSA-N 1 0 326.444 3.607 40 0 EHABRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714502 564150407 /nfs/dbraw/zinc/15/04/07/564150407.db2.gz AYRHIEIVWIXGOF-JKBKZWBZSA-N 1 0 328.500 3.901 40 0 EHABRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)NC1CCC(C(F)F)CC1 ZINC000528011204 1031590551 /nfs/dbraw/zinc/59/05/51/1031590551.db2.gz OMJVNWIEDXELBW-XUJLQICISA-N 1 0 343.462 3.517 40 0 EHABRO O=C(Cc1cccc(Cl)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000067901960 215246695 /nfs/dbraw/zinc/24/66/95/215246695.db2.gz NAGAFMLIHSGDHR-UHFFFAOYSA-N 1 0 342.870 3.795 40 0 EHABRO O=C(Nc1ccccc1F)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039768845 213242654 /nfs/dbraw/zinc/24/26/54/213242654.db2.gz FOGWBBZAQBSZKQ-UHFFFAOYSA-N 1 0 330.378 3.816 40 0 EHABRO O[C@H](C[N@@H+]1CCC[C@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000036743825 213115885 /nfs/dbraw/zinc/11/58/85/213115885.db2.gz YEDVRDIEBWBOLX-WMLDXEAASA-N 1 0 335.444 3.712 40 0 EHABRO Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446599 213029161 /nfs/dbraw/zinc/02/91/61/213029161.db2.gz VREBLQOOFYXCOJ-LBPRGKRZSA-N 1 0 331.341 3.970 40 0 biogenic,in-vitro EHABRO Cc1cccc(-c2cncc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072359745 216166512 /nfs/dbraw/zinc/16/65/12/216166512.db2.gz KNCMBTPKODJUAW-GOSISDBHSA-N 1 0 337.467 3.810 40 0 EHABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+](CC4CC4)C3)n2)n1 ZINC000072375998 216179218 /nfs/dbraw/zinc/17/92/18/216179218.db2.gz QCOJYBGPKICFPR-KRWDZBQOSA-N 1 0 337.471 3.821 40 0 EHABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4cccs4)C3)n2)c1 ZINC000072369860 216178083 /nfs/dbraw/zinc/17/80/83/216178083.db2.gz JABXVNZVZOFMOL-AWEZNQCLSA-N 1 0 341.436 3.796 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390027 216189020 /nfs/dbraw/zinc/18/90/20/216189020.db2.gz WQDUFNWPQZWUQW-KRWDZBQOSA-N 1 0 334.423 3.554 40 0 EHABRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1cccs1 ZINC000072392387 216191607 /nfs/dbraw/zinc/19/16/07/216191607.db2.gz VYGLHJCVTGZZOH-ZDUSSCGKSA-N 1 0 335.436 3.704 40 0 EHABRO C[NH+](C)CCN(Cc1ccncc1)Cc1ccc(Cl)c(Cl)c1 ZINC000022913781 212333409 /nfs/dbraw/zinc/33/34/09/212333409.db2.gz CSCYDNUDYZZEEU-UHFFFAOYSA-N 1 0 338.282 3.952 40 0 EHABRO Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)c(C)c1 ZINC000022407985 212295820 /nfs/dbraw/zinc/29/58/20/212295820.db2.gz JGDKPFIMCOAULM-JOCHJYFZSA-N 1 0 335.471 3.954 40 0 EHABRO Clc1ccc(-c2ccc3nnc(C4CC[NH2+]CC4)n3n2)c(Cl)c1 ZINC000217559467 241258711 /nfs/dbraw/zinc/25/87/11/241258711.db2.gz RGXQCXUWMUFVKE-UHFFFAOYSA-N 1 0 348.237 3.565 40 0 EHABRO C[NH+]1CCC(Oc2ccc(NC(=O)NC3CCCCC3)cc2)CC1 ZINC000225757974 242021460 /nfs/dbraw/zinc/02/14/60/242021460.db2.gz ASNUYFIZVHATQO-UHFFFAOYSA-N 1 0 331.460 3.614 40 0 EHABRO CC[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000226774386 242115246 /nfs/dbraw/zinc/11/52/46/242115246.db2.gz XYPATBBNUHJUMW-UHFFFAOYSA-N 1 0 337.628 3.953 40 0 EHABRO C[N@@H+]1CCC[C@@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257224016 244194622 /nfs/dbraw/zinc/19/46/22/244194622.db2.gz DZXWBBBBKKOZNX-OAHLLOKOSA-N 1 0 329.444 3.550 40 0 EHABRO CC[NH+]1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000020192572 212109214 /nfs/dbraw/zinc/10/92/14/212109214.db2.gz SVZFZLJWUPBJMM-OAQYLSRUSA-N 1 0 334.467 3.598 40 0 EHABRO CC[N@H+](C)[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C2(C1)CCCCC2 ZINC000257250687 244268904 /nfs/dbraw/zinc/26/89/04/244268904.db2.gz JNNRMYHROIPIBF-SFHVURJKSA-N 1 0 332.463 3.624 40 0 EHABRO Cc1cc(C)n(CCC[N@@H+](C)Cc2cnn(-c3ccc(C)cc3)c2)n1 ZINC000019719791 212057177 /nfs/dbraw/zinc/05/71/77/212057177.db2.gz ICLMZKIMJAFNLW-UHFFFAOYSA-N 1 0 337.471 3.516 40 0 EHABRO C[N@H+](CCc1ccncc1)Cc1c2cccnc2[nH]c1-c1ccco1 ZINC000019586291 212048106 /nfs/dbraw/zinc/04/81/06/212048106.db2.gz LVQKJNFYOXWZIT-UHFFFAOYSA-N 1 0 332.407 3.892 40 0 EHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2c1cc(C)cc2C ZINC000012362798 211355733 /nfs/dbraw/zinc/35/57/33/211355733.db2.gz HAFYZYPMHWKTMJ-KRWDZBQOSA-N 1 0 341.499 3.626 40 0 EHABRO c1ccc(C[C@H]2C[N@@H+](CC3CC3)CC[C@@H]2OCC2CCOCC2)cc1 ZINC000096209853 218686596 /nfs/dbraw/zinc/68/65/96/218686596.db2.gz FLEBJYZHURQOMB-VXKWHMMOSA-N 1 0 343.511 3.773 40 0 EHABRO Cc1ccc(NC(=O)C[N@@H+](C)C2CCCCC2)cc1Br ZINC000005000516 210356213 /nfs/dbraw/zinc/35/62/13/210356213.db2.gz OEMAMHMFZNHULL-UHFFFAOYSA-N 1 0 339.277 3.961 40 0 EHABRO CCCCC[NH2+]CC(=O)Nc1ccc(C(=O)OCCCCC)cc1 ZINC000004792045 210278193 /nfs/dbraw/zinc/27/81/93/210278193.db2.gz MSQKACYLCKHUSF-UHFFFAOYSA-N 1 0 334.460 3.752 40 0 EHABRO C[NH+](C)C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934886 221205882 /nfs/dbraw/zinc/20/58/82/221205882.db2.gz JZXWQNLDFVFNTR-MSBDTSEGSA-N 1 0 345.527 3.667 40 0 EHABRO CC(C)(C)OC(=O)NCC1(Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000255187078 534876564 /nfs/dbraw/zinc/87/65/64/534876564.db2.gz BDTIRFWCAXPAJH-UHFFFAOYSA-N 1 0 338.879 3.777 40 0 EHABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2ccc(Cl)c(F)c2)n1 ZINC000257243345 536051534 /nfs/dbraw/zinc/05/15/34/536051534.db2.gz IGNKKWLYUHAQEA-QGZVFWFLSA-N 1 0 348.853 3.668 40 0 EHABRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008326289 563626873 /nfs/dbraw/zinc/62/68/73/563626873.db2.gz NJGPHHGTSGQFDU-INIZCTEOSA-N 1 0 349.858 3.788 40 0 EHABRO CC1CC[NH+](CCCNC(=S)Nc2cccc(Cl)c2)CC1 ZINC000018168923 563850358 /nfs/dbraw/zinc/85/03/58/563850358.db2.gz PETKBHMDYIZNLW-UHFFFAOYSA-N 1 0 325.909 3.748 40 0 EHABRO Cc1ccc(C)c([C@H](O)CN2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000019131999 563854494 /nfs/dbraw/zinc/85/44/94/563854494.db2.gz JDLHDBRUAOZPLI-OAQYLSRUSA-N 1 0 330.516 3.533 40 0 EHABRO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039760947 563900422 /nfs/dbraw/zinc/90/04/22/563900422.db2.gz DCERCURDTVEYNX-UHFFFAOYSA-N 1 0 340.442 3.663 40 0 EHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc2ccccc2o1 ZINC000046374677 563929578 /nfs/dbraw/zinc/92/95/78/563929578.db2.gz JXKANLVLUKHTME-UHFFFAOYSA-N 1 0 334.419 3.959 40 0 EHABRO C[NH+]1CCC(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000074921047 563967036 /nfs/dbraw/zinc/96/70/36/563967036.db2.gz NEURVCPDMRYARS-UHFFFAOYSA-N 1 0 338.451 3.936 40 0 EHABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100703 563971405 /nfs/dbraw/zinc/97/14/05/563971405.db2.gz UEYQEEUUTFWMIQ-OAQYLSRUSA-N 1 0 326.484 3.542 40 0 EHABRO COc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 ZINC000095533081 563977598 /nfs/dbraw/zinc/97/75/98/563977598.db2.gz SAAKIWVYERLGFF-ULQDDVLXSA-N 1 0 349.515 3.710 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)o1 ZINC000096049416 563978463 /nfs/dbraw/zinc/97/84/63/563978463.db2.gz NEBYDFNYXLUVEQ-UHFFFAOYSA-N 1 0 338.451 3.745 40 0 EHABRO Cc1cccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)c1 ZINC000096087431 563979146 /nfs/dbraw/zinc/97/91/46/563979146.db2.gz NGJOMPWCGAIAJZ-OAQYLSRUSA-N 1 0 348.490 3.976 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)s1 ZINC000096199589 563980098 /nfs/dbraw/zinc/98/00/98/563980098.db2.gz XGOAXWXMNBVDHR-SFHVURJKSA-N 1 0 340.492 3.695 40 0 EHABRO CCNC(=O)C[C@H]1CC2(CC[NH+](CC(C)C)CC2)c2cc(F)ccc21 ZINC000096241824 563980538 /nfs/dbraw/zinc/98/05/38/563980538.db2.gz VDTWSCOJYJUBKF-INIZCTEOSA-N 1 0 346.490 3.829 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([N@H+](C)Cc2ccccc2)[C@H]1O ZINC000585288711 563982057 /nfs/dbraw/zinc/98/20/57/563982057.db2.gz ILKAUEWYYUXZMW-CEWLAPEOSA-N 1 0 325.452 3.788 40 0 EHABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216249 563985484 /nfs/dbraw/zinc/98/54/84/563985484.db2.gz OQFIYKSUWYUJNN-FQEVSTJZSA-N 1 0 337.467 3.645 40 0 EHABRO O=C(NCCC[NH+]1CCCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000010450026 564017434 /nfs/dbraw/zinc/01/74/34/564017434.db2.gz JREXSOXESYJABB-DYTRJAOYSA-N 1 0 334.463 3.829 40 0 EHABRO Clc1nc2cc3c(cc2cc1C[NH2+]Cc1cccs1)OCO3 ZINC000013534809 564020108 /nfs/dbraw/zinc/02/01/08/564020108.db2.gz GIXDVXCTHHYLEK-UHFFFAOYSA-N 1 0 332.812 3.968 40 0 EHABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3cccs3)C2)o1 ZINC000049170052 564032627 /nfs/dbraw/zinc/03/26/27/564032627.db2.gz JXWOJOLXKLLUIF-ZDUSSCGKSA-N 1 0 341.436 3.796 40 0 biogenic,in-vitro EHABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225587292 564048047 /nfs/dbraw/zinc/04/80/47/564048047.db2.gz JOFNPZKRMNGYKC-ZDUSSCGKSA-N 1 0 344.377 3.688 40 0 EHABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000260815120 564052618 /nfs/dbraw/zinc/05/26/18/564052618.db2.gz SDTFOIJEYRQYHR-AWEZNQCLSA-N 1 0 338.879 3.591 40 0 EHABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000248120008 564052972 /nfs/dbraw/zinc/05/29/72/564052972.db2.gz MXPXKLFLAOYKER-MISYRCLQSA-N 1 0 338.451 3.652 40 0 EHABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3ccncc3)C2)n1 ZINC000257279312 564054624 /nfs/dbraw/zinc/05/46/24/564054624.db2.gz OGAKEWQIIGAXBZ-GOSISDBHSA-N 1 0 348.450 3.813 40 0 EHABRO Cc1cnc2n1C[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)C2 ZINC000257286733 564054735 /nfs/dbraw/zinc/05/47/35/564054735.db2.gz PMUNLUZCLPDHNN-KRWDZBQOSA-N 1 0 337.448 3.579 40 0 EHABRO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000257335121 564055679 /nfs/dbraw/zinc/05/56/79/564055679.db2.gz YISZPKXGVDYBIH-OAHLLOKOSA-N 1 0 326.419 3.867 40 0 EHABRO c1csc(-c2cnc3n2CC[C@]32CC[N@@H+](Cc3nccs3)C2)c1 ZINC000306137996 564062229 /nfs/dbraw/zinc/06/22/29/564062229.db2.gz RLXUFSXEWWXGDF-KRWDZBQOSA-N 1 0 342.493 3.616 40 0 EHABRO c1csc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306139515 564062309 /nfs/dbraw/zinc/06/23/09/564062309.db2.gz SZFJIVDQMYWURB-SJORKVTESA-N 1 0 335.476 3.916 40 0 EHABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000009062884 564127631 /nfs/dbraw/zinc/12/76/31/564127631.db2.gz IXIDRBJNTMXFSW-UHFFFAOYSA-N 1 0 348.490 3.792 40 0 EHABRO Cc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111113 564127655 /nfs/dbraw/zinc/12/76/55/564127655.db2.gz MGEWXJVSEQTNID-KRWDZBQOSA-N 1 0 334.529 3.858 40 0 EHABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000036067890 564128473 /nfs/dbraw/zinc/12/84/73/564128473.db2.gz XUYKJJGQDOBIFX-BJLQDIEVSA-N 1 0 346.515 3.637 40 0 EHABRO Cc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000107873927 564128728 /nfs/dbraw/zinc/12/87/28/564128728.db2.gz MEPAQEPBRLKEFE-UHFFFAOYSA-N 1 0 343.858 3.653 40 0 EHABRO O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000068927202 215347135 /nfs/dbraw/zinc/34/71/35/215347135.db2.gz FTBNMFHXAHSKOZ-IPMKNSEASA-N 1 0 326.484 3.594 40 0 EHABRO COc1ccc([C@](O)(C[NH2+]C2CCCCC2)c2ccccc2)cc1 ZINC000001843034 209798120 /nfs/dbraw/zinc/79/81/20/209798120.db2.gz DNIJICOBSXATPD-NRFANRHFSA-N 1 0 325.452 3.853 40 0 EHABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000036740547 213116202 /nfs/dbraw/zinc/11/62/02/213116202.db2.gz TVDYNGVTKIDZNB-UHFFFAOYSA-N 1 0 338.499 3.788 40 0 EHABRO C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072203343 216068840 /nfs/dbraw/zinc/06/88/40/216068840.db2.gz GQFJNTBRETZRAV-AWEZNQCLSA-N 1 0 339.867 3.566 40 0 EHABRO CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000072330385 216155470 /nfs/dbraw/zinc/15/54/70/216155470.db2.gz WKUPEBRNSDFFTQ-XLIONFOSSA-N 1 0 331.504 3.653 40 0 EHABRO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000072359069 216165740 /nfs/dbraw/zinc/16/57/40/216165740.db2.gz RYALPRMANCDBAI-MRXNPFEDSA-N 1 0 341.430 3.641 40 0 EHABRO CN(C)c1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCC[NH2+]2)n1 ZINC000072354545 216163604 /nfs/dbraw/zinc/16/36/04/216163604.db2.gz OWBMQAMYWCGVDX-AWEZNQCLSA-N 1 0 336.361 3.653 40 0 EHABRO Cc1nccn1-c1cncc([C@@H]2CCC[N@H+](Cc3cccc(C)c3)C2)n1 ZINC000072355460 216164194 /nfs/dbraw/zinc/16/41/94/216164194.db2.gz RNKSFARSRULMSJ-LJQANCHMSA-N 1 0 347.466 3.659 40 0 EHABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378645 216180544 /nfs/dbraw/zinc/18/05/44/216180544.db2.gz XSMJLORTTPPSQU-KRWDZBQOSA-N 1 0 336.414 3.786 40 0 EHABRO Clc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389912 216189579 /nfs/dbraw/zinc/18/95/79/216189579.db2.gz NZZZRXSRLRHTTG-OAHLLOKOSA-N 1 0 340.814 3.775 40 0 EHABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225726898 242005983 /nfs/dbraw/zinc/00/59/83/242005983.db2.gz WINAROVGAAYKJF-UHFFFAOYSA-N 1 0 336.476 3.551 40 0 EHABRO FC1(F)[C@H]2c3ccccc3[C@@H](N3CC[NH2+]CC3)c3ccccc3[C@H]21 ZINC000238791191 242946963 /nfs/dbraw/zinc/94/69/63/242946963.db2.gz RNCPKPNQPISLFR-BWTSREIZSA-N 1 0 326.390 3.511 40 0 EHABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020492526 212139398 /nfs/dbraw/zinc/13/93/98/212139398.db2.gz XUYKJJGQDOBIFX-QWFCFKBJSA-N 1 0 346.515 3.637 40 0 EHABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020492524 212139166 /nfs/dbraw/zinc/13/91/66/212139166.db2.gz XUYKJJGQDOBIFX-WSTZPKSXSA-N 1 0 346.515 3.637 40 0 EHABRO CSc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019842550 212075362 /nfs/dbraw/zinc/07/53/62/212075362.db2.gz VZRFWQOUJLHFRJ-CEXWTWQISA-N 1 0 328.525 3.738 40 0 EHABRO Fc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000019348838 212020041 /nfs/dbraw/zinc/02/00/41/212020041.db2.gz OABYAYOXLKKKQK-CYBMUJFWSA-N 1 0 329.400 3.927 40 0 EHABRO c1csc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 ZINC000019341476 212017628 /nfs/dbraw/zinc/01/76/28/212017628.db2.gz CJOSPKHTDSKSFE-UHFFFAOYSA-N 1 0 326.425 3.573 40 0 EHABRO C[C@@H]1Cc2cc(C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc2O1 ZINC000012363603 211355942 /nfs/dbraw/zinc/35/59/42/211355942.db2.gz UHKGKNZWYHKNRY-OAHLLOKOSA-N 1 0 341.426 3.633 40 0 EHABRO Cc1ccc2c(CC(=O)N3CCCC[C@@H]3C[NH+]3CCCC3)coc2c1 ZINC000012346170 211354496 /nfs/dbraw/zinc/35/44/96/211354496.db2.gz WQAMDCXDBXPLBO-GOSISDBHSA-N 1 0 340.467 3.761 40 0 EHABRO COc1ccc2cc(C[N@H+](CCO)Cc3cccs3)ccc2c1 ZINC000012327152 211348819 /nfs/dbraw/zinc/34/88/19/211348819.db2.gz DSTKJMRVRLSXND-UHFFFAOYSA-N 1 0 327.449 3.904 40 0 EHABRO C[C@H](c1ccccc1)[N@@H+]1C[C@H](c2ccccc2)[C@H]2C(=O)CCOC[C@H]21 ZINC000095951560 218460051 /nfs/dbraw/zinc/46/00/51/218460051.db2.gz OTTGOHHGLRLZIS-KREFBHGWSA-N 1 0 335.447 3.821 40 0 EHABRO C[NH+](C)CCOc1ccccc1Cc1ccc(Br)cc1 ZINC000001586337 563394676 /nfs/dbraw/zinc/39/46/76/563394676.db2.gz HNAGTWAXQILFLK-UHFFFAOYSA-N 1 0 334.257 3.980 40 0 EHABRO CC[C@@H](OC[C@@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C)c1ccccc1 ZINC000002694706 563445901 /nfs/dbraw/zinc/44/59/01/563445901.db2.gz VLYOFQGVVBQABC-RBUKOAKNSA-N 1 0 349.515 3.529 40 0 EHABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008337056 563627174 /nfs/dbraw/zinc/62/71/74/563627174.db2.gz FHBXMYORIMAJEK-QGZVFWFLSA-N 1 0 349.858 3.788 40 0 EHABRO CCc1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030755382 563910560 /nfs/dbraw/zinc/91/05/60/563910560.db2.gz YRJJWKDSGMBZPK-KURKYZTESA-N 1 0 346.515 3.501 40 0 EHABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(Cl)c2)C1 ZINC000044080858 563926147 /nfs/dbraw/zinc/92/61/47/563926147.db2.gz ZABKVAUWRWODAL-ZDUSSCGKSA-N 1 0 325.909 3.748 40 0 EHABRO CCCCOc1ccc(C(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1 ZINC000073642556 563931379 /nfs/dbraw/zinc/93/13/79/563931379.db2.gz IHUQKGWDKYGOHB-UHFFFAOYSA-N 1 0 337.423 3.527 40 0 EHABRO O=C(N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1)C1(F)CC1 ZINC000585100418 563971352 /nfs/dbraw/zinc/97/13/52/563971352.db2.gz UCEOTGOBDJCUFW-IBGZPJMESA-N 1 0 348.437 3.675 40 0 EHABRO CC(C)C[N@@H+]1CC[C@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585101784 563971476 /nfs/dbraw/zinc/97/14/76/563971476.db2.gz GGTIMJSCWDGDGO-FQEVSTJZSA-N 1 0 348.918 3.996 40 0 EHABRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccco4)[C@@H]3C2)o1 ZINC000096054596 563978680 /nfs/dbraw/zinc/97/86/80/563978680.db2.gz DXSBUYCZZPYIQT-CGTJXYLNSA-N 1 0 342.439 3.554 40 0 EHABRO COc1ccc(C[C@H]2C[N@@H+](Cc3scnc3C)CC[C@@H]2OC)cc1 ZINC000096110577 563979280 /nfs/dbraw/zinc/97/92/80/563979280.db2.gz MXHPXODEVMWDTF-WMZOPIPTSA-N 1 0 346.496 3.540 40 0 EHABRO O=C(C1CCC1)N1CCC2(CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096158410 563979769 /nfs/dbraw/zinc/97/97/69/563979769.db2.gz XBDFVXVAMGEIRQ-UHFFFAOYSA-N 1 0 344.474 3.830 40 0 EHABRO Cc1cc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H](Cc3ccccc3)C2)no1 ZINC000096207097 563980169 /nfs/dbraw/zinc/98/01/69/563980169.db2.gz AUDORJIJZTXRJL-FPOVZHCZSA-N 1 0 340.467 3.843 40 0 EHABRO Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccncc1)CC(C)(C)O2 ZINC000225676638 564049323 /nfs/dbraw/zinc/04/93/23/564049323.db2.gz AQVZALBDBWFAKF-OAHLLOKOSA-N 1 0 327.453 3.979 40 0 EHABRO Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccncc1)CC(C)(C)O2 ZINC000225676613 564049339 /nfs/dbraw/zinc/04/93/39/564049339.db2.gz AQVZALBDBWFAKF-HNNXBMFYSA-N 1 0 327.453 3.979 40 0 EHABRO C[N@H+](CCN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000033901831 564050212 /nfs/dbraw/zinc/05/02/12/564050212.db2.gz NDAWUPLIPPNPGL-JOFXYRRGSA-N 1 0 348.575 3.649 40 0 EHABRO CC(C)n1nccc1-c1cc(CC2CC[NH+](C(C)C)CC2)ncn1 ZINC000257313215 564055316 /nfs/dbraw/zinc/05/53/16/564055316.db2.gz URKSIZNDWPNWAF-UHFFFAOYSA-N 1 0 327.476 3.584 40 0 EHABRO Cc1ccc(C(=O)N2CCC3(CC[N@@H+](C)C3)CC2)cc1C(F)(F)F ZINC000063527706 564066341 /nfs/dbraw/zinc/06/63/41/564066341.db2.gz FHBHQHQFVCBQDV-UHFFFAOYSA-N 1 0 340.389 3.572 40 0 EHABRO CC[C@H](C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C)[nH+]1 ZINC000328975450 564071102 /nfs/dbraw/zinc/07/11/02/564071102.db2.gz FKOMKYHTCLJQNL-UONOGXRCSA-N 1 0 340.471 3.611 40 0 EHABRO Clc1nc2ccccc2nc1N1CC[NH+](C2CCCCC2)CC1 ZINC000013535293 564074275 /nfs/dbraw/zinc/07/42/75/564074275.db2.gz QTXUPZVCXXRNBL-UHFFFAOYSA-N 1 0 330.863 3.738 40 0 EHABRO O=C(OCc1ccccc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000575447510 564079792 /nfs/dbraw/zinc/07/97/92/564079792.db2.gz AUGRQMMVNGVQLT-WOJBJXKFSA-N 1 0 336.435 3.530 40 0 EHABRO CCc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000038751875 564128474 /nfs/dbraw/zinc/12/84/74/564128474.db2.gz YRJJWKDSGMBZPK-OKZBNKHCSA-N 1 0 346.515 3.501 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@@]1(O)CCC[C@H](C)C1 ZINC000004683105 210246056 /nfs/dbraw/zinc/24/60/56/210246056.db2.gz PKMGAMIZEJERMX-FBBABVLZSA-N 1 0 347.499 3.596 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)CC2CCCCC2)c2ccccn2)CC1 ZINC000100750275 219105593 /nfs/dbraw/zinc/10/55/93/219105593.db2.gz SQNURBFQUCIBTH-LVCYWYKZSA-N 1 0 343.515 3.974 40 0 EHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 ZINC000100750224 219106179 /nfs/dbraw/zinc/10/61/79/219106179.db2.gz XMTNOSDZYDYGKA-FUHIMQAGSA-N 1 0 343.515 3.797 40 0 EHABRO COc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100809700 219106941 /nfs/dbraw/zinc/10/69/41/219106941.db2.gz HVINDOBAFOMWHY-IYBDPMFKSA-N 1 0 334.460 3.621 40 0 EHABRO COc1cc(NCCC[C@@H]2CCCC[NH2+]2)c2ncccc2c1OC ZINC000004366667 210180638 /nfs/dbraw/zinc/18/06/38/210180638.db2.gz RMJZVRFCIQFHTR-AWEZNQCLSA-N 1 0 329.444 3.586 40 0 EHABRO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000038858270 213228084 /nfs/dbraw/zinc/22/80/84/213228084.db2.gz PESFOBBSKWJSFO-LJQANCHMSA-N 1 0 336.435 3.740 40 0 EHABRO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000030555753 212701351 /nfs/dbraw/zinc/70/13/51/212701351.db2.gz IKEBPUYKQBPQCB-UHFFFAOYSA-N 1 0 338.451 3.611 40 0 EHABRO c1ccc(CC[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390028 216189952 /nfs/dbraw/zinc/18/99/52/216189952.db2.gz WQDUFNWPQZWUQW-QGZVFWFLSA-N 1 0 334.423 3.554 40 0 EHABRO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CC[NH2+]C1 ZINC000072391950 216190806 /nfs/dbraw/zinc/19/08/06/216190806.db2.gz VTILDBYRFUUVGX-JOCHJYFZSA-N 1 0 336.479 3.648 40 0 EHABRO O[C@@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000022407965 212295956 /nfs/dbraw/zinc/29/59/56/212295956.db2.gz LRUYSYNETWHKFM-HXUWFJFHSA-N 1 0 341.862 3.990 40 0 EHABRO Cc1cc(C)cc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225726362 242005744 /nfs/dbraw/zinc/00/57/44/242005744.db2.gz FYHNNORIXHVHPI-CALCHBBNSA-N 1 0 333.545 3.958 40 0 EHABRO Fc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225742709 242014080 /nfs/dbraw/zinc/01/40/80/242014080.db2.gz VSEWCLBKPOLQRC-UHFFFAOYSA-N 1 0 343.471 3.561 40 0 EHABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020492527 212139563 /nfs/dbraw/zinc/13/95/63/212139563.db2.gz XUYKJJGQDOBIFX-GGPKGHCWSA-N 1 0 346.515 3.637 40 0 EHABRO [NH3+][C@@H](c1cccc(F)c1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000255190558 244048285 /nfs/dbraw/zinc/04/82/85/244048285.db2.gz XZGSYVJDMPZXTO-LJQANCHMSA-N 1 0 342.414 3.874 40 0 EHABRO O=C(c1ccsc1)N1CCC[C@@H]1c1ccc(C[NH+]2CCCC2)cn1 ZINC000257243326 244251577 /nfs/dbraw/zinc/25/15/77/244251577.db2.gz IGKKHZGROKQHBR-GOSISDBHSA-N 1 0 341.480 3.716 40 0 EHABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020049689 212097732 /nfs/dbraw/zinc/09/77/32/212097732.db2.gz VZFWNHMTWRNIDK-IBGZPJMESA-N 1 0 346.515 3.843 40 0 EHABRO CC[N@H+](C)[C@@H]1CN(C(=O)CCc2ccccc2)C2(C1)CCCCC2 ZINC000257264875 244358805 /nfs/dbraw/zinc/35/88/05/244358805.db2.gz LWILLEPVGBKBPW-IBGZPJMESA-N 1 0 328.500 3.875 40 0 EHABRO C[NH+](C)CCCN(Cc1ccccn1)Cc1ccnc2ccccc12 ZINC000019582223 212047045 /nfs/dbraw/zinc/04/70/45/212047045.db2.gz HBTKWZURILGFGE-UHFFFAOYSA-N 1 0 334.467 3.584 40 0 EHABRO Fc1cccc(F)c1Cn1c([C@@H]2CCC[NH2+]C2)cc2cccnc21 ZINC000019292660 212013157 /nfs/dbraw/zinc/01/31/57/212013157.db2.gz HCTZGYGYPGFWDK-CQSZACIVSA-N 1 0 327.378 3.830 40 0 EHABRO CC(=O)N1C[C@H](c2cccc(C)c2)[C@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000019235240 212007264 /nfs/dbraw/zinc/00/72/64/212007264.db2.gz LVCOKZFFAKWEIE-NJDAHSKKSA-N 1 0 326.484 3.574 40 0 EHABRO Fc1ccc(Cn2c3ccccc3nc2OCC2CC[NH2+]CC2)cc1 ZINC000079440612 217225092 /nfs/dbraw/zinc/22/50/92/217225092.db2.gz XNSOJDAOXWFRIJ-UHFFFAOYSA-N 1 0 339.414 3.602 40 0 EHABRO C[C@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000012223518 211325674 /nfs/dbraw/zinc/32/56/74/211325674.db2.gz QUTTUHHKTLFVPP-CYBMUJFWSA-N 1 0 343.393 3.947 40 0 EHABRO Cn1nc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c2cccnc21 ZINC000012186677 211313089 /nfs/dbraw/zinc/31/30/89/211313089.db2.gz RWIMTFPLBYVTHJ-UHFFFAOYSA-N 1 0 342.393 3.626 40 0 EHABRO Cc1ccsc1C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H](C)O ZINC000012147044 211306294 /nfs/dbraw/zinc/30/62/94/211306294.db2.gz WZIVICRJRAVLEV-OAHLLOKOSA-N 1 0 341.480 3.830 40 0 EHABRO Cc1ccc(C(=O)N2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)o1 ZINC000096051592 218541945 /nfs/dbraw/zinc/54/19/45/218541945.db2.gz MVPQXXUPMJQDTA-SFHVURJKSA-N 1 0 342.439 3.698 40 0 EHABRO COc1cccc(N[C@H]2COC3(C2)CC[NH+](CCC(C)C)CC3)c1 ZINC000096221499 218697256 /nfs/dbraw/zinc/69/72/56/218697256.db2.gz OTDSRMKODRYVMJ-GOSISDBHSA-N 1 0 332.488 3.777 40 0 EHABRO C[N@H+](CCN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118922725 221204047 /nfs/dbraw/zinc/20/40/47/221204047.db2.gz NDAWUPLIPPNPGL-ITZNTROMSA-N 1 0 348.575 3.649 40 0 EHABRO CCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](O)c1ccc(OC)cc1 ZINC000001667062 563401064 /nfs/dbraw/zinc/40/10/64/563401064.db2.gz KKNCJFHFHVEYGP-VQTJNVASSA-N 1 0 329.440 3.868 40 0 EHABRO CC(C)(C)OC(=O)N(Cc1ccc(C(N)=[NH2+])cc1)C(=O)OC(C)(C)C ZINC000002525367 563439049 /nfs/dbraw/zinc/43/90/49/563439049.db2.gz OGVNPMYUTVZKML-UHFFFAOYSA-N 1 0 349.431 3.643 40 0 EHABRO CCOc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccccc1 ZINC000008254605 563625114 /nfs/dbraw/zinc/62/51/14/563625114.db2.gz VFEKDVRZMSUCAQ-UHFFFAOYSA-N 1 0 329.440 3.525 40 0 EHABRO C[NH2+]CCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008376954 563628311 /nfs/dbraw/zinc/62/83/11/563628311.db2.gz ZVDOHEICEURCDE-UHFFFAOYSA-N 1 0 348.874 3.627 40 0 EHABRO Cc1ccc(-c2nc(N3CC[NH+](C)CC3)ncc2-c2ccsc2)o1 ZINC000019216675 563854799 /nfs/dbraw/zinc/85/47/99/563854799.db2.gz QNASPADQJOWNIJ-UHFFFAOYSA-N 1 0 340.452 3.525 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccccc2Cl)C1 ZINC000044140354 563926258 /nfs/dbraw/zinc/92/62/58/563926258.db2.gz CQRHCIKLUVEXIY-OKILXGFUSA-N 1 0 339.936 3.994 40 0 EHABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000044884832 563927405 /nfs/dbraw/zinc/92/74/05/563927405.db2.gz KEQSSNRKEIOQLF-GOSISDBHSA-N 1 0 346.515 3.816 40 0 EHABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100074 563971379 /nfs/dbraw/zinc/97/13/79/563971379.db2.gz DYYWATQSCHSRIB-OXQOHEQNSA-N 1 0 332.463 3.971 40 0 EHABRO CC(C)C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100633 563971423 /nfs/dbraw/zinc/97/14/23/563971423.db2.gz QXVHTVYFHBPGAB-HXUWFJFHSA-N 1 0 332.463 3.829 40 0 EHABRO CC(C)C[N@@H+]1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585101820 563971446 /nfs/dbraw/zinc/97/14/46/563971446.db2.gz HLXMPNATYQRNJT-GOSISDBHSA-N 1 0 338.854 3.816 40 0 EHABRO CC1(C(=O)NC2CC3(C2)CC[NH+](Cc2cc(F)ccc2F)CC3)CC1 ZINC000585104056 563971516 /nfs/dbraw/zinc/97/15/16/563971516.db2.gz VPZAFSHMGQQXTC-UHFFFAOYSA-N 1 0 348.437 3.626 40 0 EHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)s1 ZINC000585105230 563971564 /nfs/dbraw/zinc/97/15/64/563971564.db2.gz QZICRAGENJUJRT-MRXNPFEDSA-N 1 0 346.521 3.728 40 0 EHABRO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCOC[C@@H]21 ZINC000095951562 563977817 /nfs/dbraw/zinc/97/78/17/563977817.db2.gz OTTGOHHGLRLZIS-SYNNKVJXSA-N 1 0 335.447 3.821 40 0 EHABRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096100316 563979176 /nfs/dbraw/zinc/97/91/76/563979176.db2.gz FDOWNUZBIYNMOX-FQEVSTJZSA-N 1 0 338.476 3.648 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)s1 ZINC000096100244 563979207 /nfs/dbraw/zinc/97/92/07/563979207.db2.gz DGAMSUDTXBSPRG-SFHVURJKSA-N 1 0 340.492 3.852 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000096158425 563979802 /nfs/dbraw/zinc/97/98/02/563979802.db2.gz AKSKIBKUOKEACR-UHFFFAOYSA-N 1 0 326.484 3.610 40 0 EHABRO Fc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2nccs2)C3)c1 ZINC000096215809 563980280 /nfs/dbraw/zinc/98/02/80/563980280.db2.gz WILAZDUQWKHPQA-LJQANCHMSA-N 1 0 345.487 3.770 40 0 EHABRO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)c1ccccc1 ZINC000257343217 563999656 /nfs/dbraw/zinc/99/96/56/563999656.db2.gz ZRYFMUPVGTTZOK-QFIPXVFZSA-N 1 0 348.446 3.826 40 0 EHABRO Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000009062736 564016544 /nfs/dbraw/zinc/01/65/44/564016544.db2.gz ASNXVBJEQVWXMD-UHFFFAOYSA-N 1 0 340.442 3.663 40 0 EHABRO c1coc(-c2nnc([C@H]3CC[N@@H+](Cc4cnc5ccccc5c4)C3)o2)c1 ZINC000049169469 564032536 /nfs/dbraw/zinc/03/25/36/564032536.db2.gz GPWJCAKQGZLRSY-INIZCTEOSA-N 1 0 346.390 3.867 40 0 biogenic,in-vitro EHABRO CC(C)Oc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000225437260 564046692 /nfs/dbraw/zinc/04/66/92/564046692.db2.gz FXVISAVKWWKCLK-UHFFFAOYSA-N 1 0 349.544 3.882 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(F)c(F)c1 ZINC000225582481 564047998 /nfs/dbraw/zinc/04/79/98/564047998.db2.gz ZHKNSDQMJJYWNK-AWEZNQCLSA-N 1 0 341.471 3.906 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225586903 564048060 /nfs/dbraw/zinc/04/80/60/564048060.db2.gz SADSGNAQDLANDR-BETUJISGSA-N 1 0 344.377 3.544 40 0 EHABRO CC[NH+](CC)CCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1 ZINC000225644197 564048912 /nfs/dbraw/zinc/04/89/12/564048912.db2.gz GKQJICCGCLRFPH-FQEVSTJZSA-N 1 0 348.487 3.551 40 0 EHABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)CCc2cccs2)nc1 ZINC000257318537 564055402 /nfs/dbraw/zinc/05/54/02/564055402.db2.gz VOHUJAWYGDYXLR-SFHVURJKSA-N 1 0 343.496 3.501 40 0 EHABRO Clc1ccc(C[C@H]2CC3(CO2)CC[NH+](Cc2ncc[nH]2)CC3)cc1 ZINC000257333392 564055603 /nfs/dbraw/zinc/05/56/03/564055603.db2.gz YBIQJXBWFMLJSG-KRWDZBQOSA-N 1 0 345.874 3.677 40 0 EHABRO CN1C[C@H]2[N@H+](Cc3ccsc3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306143716 564062362 /nfs/dbraw/zinc/06/23/62/564062362.db2.gz YKHGBASRRORODF-UYAOXDASSA-N 1 0 340.492 3.513 40 0 EHABRO CC(C)(C)c1[nH]c2ncccc2c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248199003 564124552 /nfs/dbraw/zinc/12/45/52/564124552.db2.gz SYCQOPTYMGTNAF-HNNXBMFYSA-N 1 0 326.488 3.531 40 0 EHABRO O=C(OCc1ccccc1)N1CCC2(CC[NH2+]CC2)c2ccccc21 ZINC000521396061 564134127 /nfs/dbraw/zinc/13/41/27/564134127.db2.gz PCJCRPCNVMSXRF-UHFFFAOYSA-N 1 0 336.435 3.855 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000260529599 1017048138 /nfs/dbraw/zinc/04/81/38/1017048138.db2.gz RXZKIHHYUJKCKH-OALUTQOASA-N 1 0 346.515 3.842 40 0 EHABRO Cc1ccc(C(C)C)c(OCC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000060560800 214643330 /nfs/dbraw/zinc/64/33/30/214643330.db2.gz ZKRNJNBMNLYDPR-GOSISDBHSA-N 1 0 346.515 3.735 40 0 EHABRO O=C(Cc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000067901361 215245073 /nfs/dbraw/zinc/24/50/73/215245073.db2.gz LMGCRWKQCRJIOV-UHFFFAOYSA-N 1 0 342.870 3.795 40 0 EHABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530348 213154422 /nfs/dbraw/zinc/15/44/22/213154422.db2.gz PSKUZPOGYZMETL-BOQPXBONSA-N 1 0 325.537 3.803 40 0 EHABRO O[C@@H](C[N@@H+]1CCC[C@H](COc2ccccc2F)C1)c1cccs1 ZINC000036734331 213114277 /nfs/dbraw/zinc/11/42/77/213114277.db2.gz QCNGGSIXHAHXHM-HOCLYGCPSA-N 1 0 335.444 3.712 40 0 EHABRO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](Cc4cccnc4)C3)nc2c1 ZINC000035446702 213029018 /nfs/dbraw/zinc/02/90/18/213029018.db2.gz NAQRYLBQJWTGAH-ZDUSSCGKSA-N 1 0 346.356 3.966 40 0 biogenic,in-vitro EHABRO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccncc4)C3)nc2c1 ZINC000035446705 213028313 /nfs/dbraw/zinc/02/83/13/213028313.db2.gz AIYYPDFZMOZYCY-ZDUSSCGKSA-N 1 0 346.356 3.966 40 0 biogenic,in-vitro EHABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446754 213028287 /nfs/dbraw/zinc/02/82/87/213028287.db2.gz MXFMOTDEWPHQOX-ZDUSSCGKSA-N 1 0 343.377 3.839 40 0 biogenic,in-vitro EHABRO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000035290361 213018718 /nfs/dbraw/zinc/01/87/18/213018718.db2.gz JWBIMEKBVSHDJS-ZNXRZULTSA-N 1 0 329.513 3.829 40 0 EHABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072366771 216172239 /nfs/dbraw/zinc/17/22/39/216172239.db2.gz OHTUGUDILZUIKQ-IBGZPJMESA-N 1 0 348.450 3.921 40 0 EHABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072379061 216180356 /nfs/dbraw/zinc/18/03/56/216180356.db2.gz YYIVOVXIFDUAJS-SFHVURJKSA-N 1 0 333.439 3.562 40 0 EHABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378664 216181897 /nfs/dbraw/zinc/18/18/97/216181897.db2.gz VBOUGGBPGJGUSF-SFHVURJKSA-N 1 0 333.439 3.562 40 0 EHABRO COc1cccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000225901976 242074602 /nfs/dbraw/zinc/07/46/02/242074602.db2.gz VMNRIIVPFVOTEL-SFHVURJKSA-N 1 0 338.451 3.570 40 0 EHABRO Cn1cncc1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257235552 244225758 /nfs/dbraw/zinc/22/57/58/244225758.db2.gz GYHRYLIQBIVGJM-GOSISDBHSA-N 1 0 332.451 3.862 40 0 EHABRO Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCCC[C@@H]32)cn1 ZINC000257238302 244234729 /nfs/dbraw/zinc/23/47/29/244234729.db2.gz HKJJSSSPYMRKGS-ACRUOGEOSA-N 1 0 349.478 3.530 40 0 EHABRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)c2)n1 ZINC000257239240 244239140 /nfs/dbraw/zinc/23/91/40/244239140.db2.gz HOOGPERZHBUJHT-SFHVURJKSA-N 1 0 346.438 3.656 40 0 EHABRO CS[C@@H]1CCCCCCCC[C@H]2COC[C@@H]2[C@@H]1[NH+]1CCOCC1 ZINC000020111417 212102259 /nfs/dbraw/zinc/10/22/59/212102259.db2.gz BAGWWHWHYXXQCV-OKYOBFRVSA-N 1 0 341.561 3.816 40 0 EHABRO O=C(Nc1ccccc1C[NH+]1CCCCC1)c1ccn(C(F)F)n1 ZINC000019349086 212020237 /nfs/dbraw/zinc/02/02/37/212020237.db2.gz ZUFLLEGGEWZMHI-UHFFFAOYSA-N 1 0 334.370 3.516 40 0 EHABRO O[C@@H](C[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1)c1cccs1 ZINC000019294327 212012925 /nfs/dbraw/zinc/01/29/25/212012925.db2.gz LNFHWNFCEUDDAW-HNNXBMFYSA-N 1 0 344.411 3.634 40 0 EHABRO Cc1n(C)c2ccccc2[n+]1CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000013305156 211542525 /nfs/dbraw/zinc/54/25/25/211542525.db2.gz NWAPEPJZJARYHX-VPWXQRGCSA-N 1 0 343.491 3.778 40 0 EHABRO CCCn1nc(C)c(C[N@@H+](Cc2ccc(C)s2)C[C@H](C)O)c1C ZINC000012185892 211314484 /nfs/dbraw/zinc/31/44/84/211314484.db2.gz JEKJMVRPAOWOAL-ZDUSSCGKSA-N 1 0 335.517 3.663 40 0 EHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2c[nH]nc2-c2cccs2)on1 ZINC000012128408 211300376 /nfs/dbraw/zinc/30/03/76/211300376.db2.gz LRDFOUUUCUYWMM-XJKSGUPXSA-N 1 0 342.468 3.936 40 0 EHABRO CC1(C)CC(N(Cc2c[nH]cn2)Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000012116748 211296649 /nfs/dbraw/zinc/29/66/49/211296649.db2.gz WHLACBLPMSCIOC-UHFFFAOYSA-N 1 0 326.488 3.721 40 0 EHABRO COC(=O)C1=CCC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]12 ZINC000001711023 563406145 /nfs/dbraw/zinc/40/61/45/563406145.db2.gz DFDNBRUSLQYVNA-XVGQJIODSA-N 1 0 336.435 3.596 40 0 EHABRO Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408611600 563498000 /nfs/dbraw/zinc/49/80/00/563498000.db2.gz UHGRKZAHYIIXBM-OAQYLSRUSA-N 1 0 334.463 3.658 40 0 EHABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000006356064 563565953 /nfs/dbraw/zinc/56/59/53/563565953.db2.gz WSEOTWCMPKAJSV-PXNSSMCTSA-N 1 0 339.479 3.998 40 0 EHABRO O=C(Cc1ccccc1F)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007696807 563610860 /nfs/dbraw/zinc/61/08/60/563610860.db2.gz FWJPHTJJOQWQNB-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccccc1C ZINC000016362761 563809808 /nfs/dbraw/zinc/80/98/08/563809808.db2.gz DQZHNXOXHDAJSF-UHFFFAOYSA-N 1 0 342.483 3.624 40 0 EHABRO Cc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000044140381 563926261 /nfs/dbraw/zinc/92/62/61/563926261.db2.gz AUXSVIXWZOWMHG-IYBDPMFKSA-N 1 0 333.545 3.958 40 0 EHABRO COc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 ZINC000247930767 563950311 /nfs/dbraw/zinc/95/03/11/563950311.db2.gz SAAKIWVYERLGFF-YESZJQIVSA-N 1 0 349.515 3.710 40 0 EHABRO CC(C)C[N@@H+]1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585101928 563971439 /nfs/dbraw/zinc/97/14/39/563971439.db2.gz LSGKVDWWEUMTIE-OAQYLSRUSA-N 1 0 337.467 3.571 40 0 EHABRO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000585109336 563971684 /nfs/dbraw/zinc/97/16/84/563971684.db2.gz KIAIYSJTLHDETB-SLFFLAALSA-N 1 0 349.478 3.514 40 0 EHABRO OCC[N@H+](Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000095935036 563977794 /nfs/dbraw/zinc/97/77/94/563977794.db2.gz VLOIRQINEHZGIT-XZOQPEGZSA-N 1 0 347.458 3.956 40 0 EHABRO Cc1ccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)o1 ZINC000096215876 563980388 /nfs/dbraw/zinc/98/03/88/563980388.db2.gz SCYCQSCMSOPXBO-HXUWFJFHSA-N 1 0 328.456 3.978 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ccc(C)nn2)C3)cc1 ZINC000096216986 563980440 /nfs/dbraw/zinc/98/04/40/563980440.db2.gz YMCTYLTUQNNHJP-NRFANRHFSA-N 1 0 336.483 3.586 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096221702 563980461 /nfs/dbraw/zinc/98/04/61/563980461.db2.gz XZDMJWQMZSTHJC-HXUWFJFHSA-N 1 0 338.451 3.593 40 0 EHABRO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@@H+](CC(C)C)C1 ZINC000096244672 563980572 /nfs/dbraw/zinc/98/05/72/563980572.db2.gz HSJRCWURDTYYFZ-OAQYLSRUSA-N 1 0 337.467 3.582 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2F)[C@H]1O ZINC000585289057 563981987 /nfs/dbraw/zinc/98/19/87/563981987.db2.gz DUMMLOSVIOQJDQ-CEWLAPEOSA-N 1 0 343.442 3.627 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCc3ccccc3)[C@H]2O)c1 ZINC000585288864 563981991 /nfs/dbraw/zinc/98/19/91/563981991.db2.gz KHABSQBFBZODQS-BHDDXSALSA-N 1 0 339.479 3.878 40 0 EHABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000585288703 563982074 /nfs/dbraw/zinc/98/20/74/563982074.db2.gz IEJGLFASZQVCSB-IPMKNSEASA-N 1 0 349.833 3.930 40 0 EHABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(OC)cc2)cc1 ZINC000000568265 564012750 /nfs/dbraw/zinc/01/27/50/564012750.db2.gz QUQSMGUFMTZWET-UHFFFAOYSA-N 1 0 342.439 3.555 40 0 EHABRO Cc1nc2sc3c(c2c(N2CC[NH2+]CC2)n1)CC[C@@H](C(C)(C)C)C3 ZINC000013564534 564020139 /nfs/dbraw/zinc/02/01/39/564020139.db2.gz GRSYENSKLBCVKD-CYBMUJFWSA-N 1 0 344.528 3.560 40 0 EHABRO c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169676 564032634 /nfs/dbraw/zinc/03/26/34/564032634.db2.gz VIWYZRZPGPTPFE-HNNXBMFYSA-N 1 0 345.406 3.602 40 0 biogenic,in-vitro EHABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225622550 564048547 /nfs/dbraw/zinc/04/85/47/564048547.db2.gz NNDCECONVVSYBQ-LJQANCHMSA-N 1 0 336.476 3.551 40 0 EHABRO Cc1cc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000225651352 564049006 /nfs/dbraw/zinc/04/90/06/564049006.db2.gz KOCRFFDCPWKAGY-UHFFFAOYSA-N 1 0 337.467 3.616 40 0 EHABRO CN(C)c1cc([C@H]2CCCN2C(=O)c2cccc3ncccc32)ccn1 ZINC000257287368 564054769 /nfs/dbraw/zinc/05/47/69/564054769.db2.gz PPPPDVHBYNIRKQ-LJQANCHMSA-N 1 0 346.434 3.673 40 0 EHABRO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000306129941 564062216 /nfs/dbraw/zinc/06/22/16/564062216.db2.gz IRFNKESBWFMDJM-SJLPKXTDSA-N 1 0 345.489 3.523 40 0 EHABRO CCC[NH+]1CCC2(CCc3cnc(NCc4ccccc4)nc32)CC1 ZINC000306140944 564062322 /nfs/dbraw/zinc/06/23/22/564062322.db2.gz VHJCTYKDPUZBJO-UHFFFAOYSA-N 1 0 336.483 3.779 40 0 EHABRO O[C@]1(CN2c3ccccc3Sc3ccccc32)C[NH+]2CCC1CC2 ZINC000044830521 564117944 /nfs/dbraw/zinc/11/79/44/564117944.db2.gz PNBTYAVTIJXSSH-FQEVSTJZSA-N 1 0 338.476 3.746 40 0 EHABRO O=C(c1ccccc1Cl)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238941359 564120139 /nfs/dbraw/zinc/12/01/39/564120139.db2.gz WAGLXGSRBYEBGF-KRWDZBQOSA-N 1 0 340.854 3.613 40 0 EHABRO COc1ccc2c(c1)cc([C@H]1CCC[NH2+]C1)nc2Nc1nccs1 ZINC000257285848 564134853 /nfs/dbraw/zinc/13/48/53/564134853.db2.gz PJDKNQFXQOXMSR-LBPRGKRZSA-N 1 0 340.452 3.911 40 0 EHABRO c1ccc(CO[C@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714622 564150394 /nfs/dbraw/zinc/15/03/94/564150394.db2.gz KHCKVAHSJRUZNI-ANULTFPQSA-N 1 0 328.500 3.731 40 0 EHABRO CCOc1ccc2nccc([C@H](O)[C@@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4CC)c2c1 ZINC000004365656 210180750 /nfs/dbraw/zinc/18/07/50/210180750.db2.gz SUWZHLCNFQWNPE-PBFVBANWSA-N 1 0 340.467 3.787 40 0 in-vitro EHABRO O[C@@H]1Cc2cccnc2C(=C2CC[NH2+]CC2)c2ccc(Cl)cc21 ZINC000003784052 210075152 /nfs/dbraw/zinc/07/51/52/210075152.db2.gz UEQNVDYYIWHWNX-QGZVFWFLSA-N 1 0 326.827 3.510 40 0 in-vitro EHABRO c1c(CC2([NH2+]CC3CCCCC3)COC2)noc1-c1ccccc1 ZINC000067898013 215245964 /nfs/dbraw/zinc/24/59/64/215245964.db2.gz SWCGCBNXHYHGGY-UHFFFAOYSA-N 1 0 326.440 3.823 40 0 biogenic,in-vitro EHABRO Cc1ccc(-c2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)s1 ZINC000036613517 213101613 /nfs/dbraw/zinc/10/16/13/213101613.db2.gz WOXHHABIEJZYHX-UHFFFAOYSA-N 1 0 330.379 3.506 40 0 EHABRO COc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072355490 216164293 /nfs/dbraw/zinc/16/42/93/216164293.db2.gz NSQDAIIUAOYYMH-SFHVURJKSA-N 1 0 334.423 3.613 40 0 EHABRO Cc1cccc(OCC[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369848 216177379 /nfs/dbraw/zinc/17/73/79/216177379.db2.gz GFKKZBDNNMBLLK-GOSISDBHSA-N 1 0 349.434 3.913 40 0 EHABRO Clc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]C4)n3n2)c(Cl)c1 ZINC000217561342 241259345 /nfs/dbraw/zinc/25/93/45/241259345.db2.gz YQHRCHKPPFDSPY-SNVBAGLBSA-N 1 0 348.237 3.565 40 0 EHABRO O=C(Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C(F)(F)F ZINC000225587413 241939406 /nfs/dbraw/zinc/93/94/06/241939406.db2.gz KHGDHURQBDVBRK-UHFFFAOYSA-N 1 0 344.377 3.832 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(Cl)cc2)C1 ZINC000225726753 242004864 /nfs/dbraw/zinc/00/48/64/242004864.db2.gz ZTLCLIFAWUDICC-ZIAGYGMSSA-N 1 0 339.936 3.994 40 0 EHABRO Fc1cccc(Cc2cnc([C@@H]3CC[N@H+](Cc4cncs4)C3)o2)c1 ZINC000257236795 244232011 /nfs/dbraw/zinc/23/20/11/244232011.db2.gz HDVBVXGQQCYLIV-CQSZACIVSA-N 1 0 343.427 3.851 40 0 EHABRO CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cncs2)n1 ZINC000257241769 244245770 /nfs/dbraw/zinc/24/57/70/244245770.db2.gz HZNIRTSXKUKJIE-MRXNPFEDSA-N 1 0 330.501 3.591 40 0 EHABRO CC(=O)Nc1nc2nc(C3CC[NH+](C4CCCC4)CC3)ccc2s1 ZINC000257325810 244534906 /nfs/dbraw/zinc/53/49/06/244534906.db2.gz WUNJBFOHMVPGGS-UHFFFAOYSA-N 1 0 344.484 3.772 40 0 EHABRO Cc1cc(C)n(C2CC[NH+](Cc3cnn(-c4ccc(C)cc4)c3)CC2)n1 ZINC000019658994 212054843 /nfs/dbraw/zinc/05/48/43/212054843.db2.gz SMGMPEAYFTYINQ-UHFFFAOYSA-N 1 0 349.482 3.831 40 0 EHABRO Cc1nc2ccccn2c1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000019659053 212054502 /nfs/dbraw/zinc/05/45/02/212054502.db2.gz HMUXGYZDIAXTMC-UHFFFAOYSA-N 1 0 339.414 3.825 40 0 EHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccccc1F ZINC000019527188 212038390 /nfs/dbraw/zinc/03/83/90/212038390.db2.gz LKVAAVZFHDAWSA-IBGZPJMESA-N 1 0 327.447 3.707 40 0 EHABRO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000019446635 212028205 /nfs/dbraw/zinc/02/82/05/212028205.db2.gz WKUPEBRNSDFFTQ-YLJYHZDGSA-N 1 0 331.504 3.653 40 0 EHABRO c1ccc(CC[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019371244 212022316 /nfs/dbraw/zinc/02/23/16/212022316.db2.gz JGSZFBDGOFHOPG-UHFFFAOYSA-N 1 0 334.423 3.554 40 0 EHABRO O[C@@H](C[NH+]1CCC2(C=Cc3ccccc3O2)CC1)c1ccc(F)cc1 ZINC000012187989 211313774 /nfs/dbraw/zinc/31/37/74/211313774.db2.gz QYPSZQRUUKFIIA-IBGZPJMESA-N 1 0 339.410 3.800 40 0 EHABRO COc1ccc2c(C[N@H+]3[C@@H]4CC[C@H]3Cc3nc(C)ncc34)cn(C)c2c1 ZINC000012143991 211304889 /nfs/dbraw/zinc/30/48/89/211304889.db2.gz QAQYKTIZEKBOIM-MGPUTAFESA-N 1 0 348.450 3.547 40 0 EHABRO C[N@@H+]1CCC[C@@H](CNC(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000009876192 211130029 /nfs/dbraw/zinc/13/00/29/211130029.db2.gz GDDCPOIVCGVKDB-JTQLQIEISA-N 1 0 332.300 3.622 40 0 EHABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(OC)cc1)C2 ZINC000004857093 210303708 /nfs/dbraw/zinc/30/37/08/210303708.db2.gz HPARVONAADRRGI-ALOPSCKCSA-N 1 0 347.528 3.777 40 0 EHABRO Clc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329046575 257902678 /nfs/dbraw/zinc/90/26/78/257902678.db2.gz UCCMJVFPWHNOGJ-UHFFFAOYSA-N 1 0 342.874 3.818 40 0 EHABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2cccs2)n1 ZINC000257217325 536039690 /nfs/dbraw/zinc/03/96/90/536039690.db2.gz CYLZXYWSNSTPGB-ZGKFYVQTSA-N 1 0 341.480 3.582 40 0 EHABRO CC[NH+](CC)C[C@H](O)CNc1ccnc2c(Cl)ccc(Cl)c12 ZINC000001591895 563395119 /nfs/dbraw/zinc/39/51/19/563395119.db2.gz BZWHSBUIROLLNN-LLVKDONJSA-N 1 0 342.270 3.656 40 0 EHABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000006617328 563574698 /nfs/dbraw/zinc/57/46/98/563574698.db2.gz QJAWMQQAZFJDAY-GPQLQYNLSA-N 1 0 343.511 3.637 40 0 EHABRO CC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000008227200 563623891 /nfs/dbraw/zinc/62/38/91/563623891.db2.gz DYSZQZJQJWZYQK-UHFFFAOYSA-N 1 0 337.055 3.720 40 0 EHABRO O[C@@H](CNc1ccnc2cc(Cl)ccc21)C[NH2+]C1CCCCC1 ZINC000031672905 563912943 /nfs/dbraw/zinc/91/29/43/563912943.db2.gz JEWOVFPNPJKWHN-OAHLLOKOSA-N 1 0 333.863 3.583 40 0 EHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000257219655 563967180 /nfs/dbraw/zinc/96/71/80/563967180.db2.gz DHPDZUDBBCOSQP-JFIYKMOQSA-N 1 0 331.504 3.653 40 0 EHABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100072 563971360 /nfs/dbraw/zinc/97/13/60/563971360.db2.gz DYYWATQSCHSRIB-JXFKEZNVSA-N 1 0 332.463 3.971 40 0 EHABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000585104962 563971591 /nfs/dbraw/zinc/97/15/91/563971591.db2.gz MUIKJJFEXXEJKM-GOSISDBHSA-N 1 0 340.467 3.642 40 0 EHABRO CC[C@@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109323 563971660 /nfs/dbraw/zinc/97/16/60/563971660.db2.gz IXQXMAGWGMTXHM-GRGSLBFTSA-N 1 0 328.500 3.965 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)o1 ZINC000096048740 563978341 /nfs/dbraw/zinc/97/83/41/563978341.db2.gz XNHXNTWOQSQUFA-SFHVURJKSA-N 1 0 330.453 3.669 40 0 EHABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2=O)c1 ZINC000096050565 563978461 /nfs/dbraw/zinc/97/84/61/563978461.db2.gz BOIIHJOASWIURE-FQEVSTJZSA-N 1 0 340.492 3.681 40 0 EHABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057059 563978748 /nfs/dbraw/zinc/97/87/48/563978748.db2.gz NAOJBTKWWLSQQV-MJGOQNOKSA-N 1 0 344.480 3.593 40 0 EHABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@H]12 ZINC000096058442 563978778 /nfs/dbraw/zinc/97/87/78/563978778.db2.gz MCCIKYFKNXEUPM-PMACEKPBSA-N 1 0 340.492 3.513 40 0 EHABRO COc1ccc(C[C@H]2C[N@@H+](Cc3scnc3C)CC[C@H]2OC)cc1 ZINC000096110265 563979274 /nfs/dbraw/zinc/97/92/74/563979274.db2.gz MXHPXODEVMWDTF-FUHWJXTLSA-N 1 0 346.496 3.540 40 0 EHABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169336 564032542 /nfs/dbraw/zinc/03/25/42/564032542.db2.gz SGPKYPBONKIIEE-KRWDZBQOSA-N 1 0 335.407 3.735 40 0 biogenic,in-vitro EHABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)ccn1 ZINC000257297511 564054964 /nfs/dbraw/zinc/05/49/64/564054964.db2.gz RHOFZPVZBDCZPI-HXUWFJFHSA-N 1 0 349.478 3.539 40 0 EHABRO C[NH+]1CCC(c2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 ZINC000257297212 564054997 /nfs/dbraw/zinc/05/49/97/564054997.db2.gz RGISPCRJFAUMNQ-UHFFFAOYSA-N 1 0 329.444 3.550 40 0 EHABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)ccn1 ZINC000257316707 564055354 /nfs/dbraw/zinc/05/53/54/564055354.db2.gz VGQPKWWNVYQMTI-CFGKVWFZSA-N 1 0 335.451 3.520 40 0 EHABRO COCc1csc(-c2cccc([C@H]3CCC[N@@H+](C(C)C)C3)n2)n1 ZINC000257334261 564055650 /nfs/dbraw/zinc/05/56/50/564055650.db2.gz YFEPQKWQCZXZAL-AWEZNQCLSA-N 1 0 331.485 3.939 40 0 EHABRO COc1cccc(Cc2cnc([C@@H]3CC[N@H+](Cc4cccnc4)C3)o2)c1 ZINC000257343010 564055840 /nfs/dbraw/zinc/05/58/40/564055840.db2.gz ZRBHFKNYWXJOEY-GOSISDBHSA-N 1 0 349.434 3.659 40 0 EHABRO Clc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328982766 564071198 /nfs/dbraw/zinc/07/11/98/564071198.db2.gz HBRNOOHRXZTFJQ-UHFFFAOYSA-N 1 0 342.874 3.818 40 0 EHABRO OCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000027986985 564073022 /nfs/dbraw/zinc/07/30/22/564073022.db2.gz UBARBHBDGHKPBF-UHFFFAOYSA-N 1 0 341.842 3.665 40 0 EHABRO CCCC[NH+](CCCC)Cc1ccc([C@@H]2C[C@H](C(N)=O)CC2=O)cc1 ZINC000057327822 564091524 /nfs/dbraw/zinc/09/15/24/564091524.db2.gz FXOLDAHPYBOPMB-OALUTQOASA-N 1 0 344.499 3.637 40 0 EHABRO Cc1cc2nc([C@H]3CCC[N@@H+](C[C@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000248330048 564124564 /nfs/dbraw/zinc/12/45/64/564124564.db2.gz FFJUBRKZDFQDBJ-YJBOKZPZSA-N 1 0 349.482 3.603 40 0 EHABRO C[NH+]1CCC(C(=O)c2ncccc2Cc2cccc(Cl)c2)CC1 ZINC000040434667 564128501 /nfs/dbraw/zinc/12/85/01/564128501.db2.gz BZBJLIDSHINWAW-UHFFFAOYSA-N 1 0 328.843 3.850 40 0 EHABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]CC2CCCCC2)OC3)cc1 ZINC000096112937 564145429 /nfs/dbraw/zinc/14/54/29/564145429.db2.gz ZZIHLLZCRVIYPV-SFHVURJKSA-N 1 0 343.446 3.758 40 0 biogenic,in-vitro EHABRO Cc1cccc2c1nc1n2[C@@H](C[NH2+]Cc2c[nH]c3ccccc23)COC1 ZINC000096112643 564145431 /nfs/dbraw/zinc/14/54/31/564145431.db2.gz LFQKYQOQQFBZRJ-INIZCTEOSA-N 1 0 346.434 3.687 40 0 biogenic,in-vitro EHABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000100750266 219105766 /nfs/dbraw/zinc/10/57/66/219105766.db2.gz OHCIOCQBQKAOMS-JTDSTZFVSA-N 1 0 329.488 3.584 40 0 EHABRO COc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000039226990 213232463 /nfs/dbraw/zinc/23/24/63/213232463.db2.gz MEKKHVFSVGPROM-UHFFFAOYSA-N 1 0 337.419 3.695 40 0 EHABRO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000038858273 213229209 /nfs/dbraw/zinc/22/92/09/213229209.db2.gz PESFOBBSKWJSFO-IBGZPJMESA-N 1 0 336.435 3.740 40 0 EHABRO COCC[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359356 216166265 /nfs/dbraw/zinc/16/62/65/216166265.db2.gz BONNLGYYEYUELX-UHFFFAOYSA-N 1 0 331.847 3.623 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cc1 ZINC000072378696 216181942 /nfs/dbraw/zinc/18/19/42/216181942.db2.gz DRNOBJIIXCCZKN-HXUWFJFHSA-N 1 0 348.450 3.921 40 0 EHABRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000022074798 212276734 /nfs/dbraw/zinc/27/67/34/212276734.db2.gz SVQJPDQLOBRMGP-HNNXBMFYSA-N 1 0 326.223 3.825 40 0 EHABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020460632 212133911 /nfs/dbraw/zinc/13/39/11/212133911.db2.gz KQVATVOTYRQDDI-IBGZPJMESA-N 1 0 346.515 3.699 40 0 EHABRO Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257213828 244158983 /nfs/dbraw/zinc/15/89/83/244158983.db2.gz CJFWNJQIXOAYIS-INIZCTEOSA-N 1 0 327.476 3.817 40 0 EHABRO Cc1cc2c[nH+]cn2c([C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 ZINC000257226930 244204758 /nfs/dbraw/zinc/20/47/58/244204758.db2.gz FMTXBGRMBXFLDP-KRWDZBQOSA-N 1 0 338.386 3.544 40 0 EHABRO Cc1nc(Nc2cc([C@H]3CC[N@@H+](C(C)C)C3)nc(C)n2)sc1C ZINC000257221195 244184137 /nfs/dbraw/zinc/18/41/37/244184137.db2.gz DNXQLWPVXCXDPC-AWEZNQCLSA-N 1 0 331.489 3.800 40 0 EHABRO C[N@@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3)c2)C1 ZINC000257232942 244219674 /nfs/dbraw/zinc/21/96/74/244219674.db2.gz GNBHUYHDZMDQJE-KRWDZBQOSA-N 1 0 333.439 3.503 40 0 EHABRO Fc1cccc(C[C@H]2CC3(CO2)CC[NH+](Cc2ccccn2)CC3)c1 ZINC000257237970 244235585 /nfs/dbraw/zinc/23/55/85/244235585.db2.gz HJAZOTILPBYWIL-FQEVSTJZSA-N 1 0 340.442 3.835 40 0 EHABRO C[NH+]1CCC(Cc2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 ZINC000257245954 244258828 /nfs/dbraw/zinc/25/88/28/244258828.db2.gz IRVIAIGHVGMLGL-UHFFFAOYSA-N 1 0 343.471 3.625 40 0 EHABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000020105203 212101279 /nfs/dbraw/zinc/10/12/79/212101279.db2.gz QPDISRAEIPUOIE-INIZCTEOSA-N 1 0 340.920 3.813 40 0 EHABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2)n1 ZINC000257252274 244272464 /nfs/dbraw/zinc/27/24/64/244272464.db2.gz JUEMREGAWUZMTQ-UNMCSNQZSA-N 1 0 349.478 3.546 40 0 EHABRO CC(C)n1nccc1-c1cncc(C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257259453 244292357 /nfs/dbraw/zinc/29/23/57/244292357.db2.gz KYLNIIBRPXKZDO-MRXNPFEDSA-N 1 0 327.476 3.584 40 0 EHABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000019931476 212085961 /nfs/dbraw/zinc/08/59/61/212085961.db2.gz CZYURBYFIAVWGI-HXUWFJFHSA-N 1 0 346.515 3.699 40 0 EHABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000019294087 212012876 /nfs/dbraw/zinc/01/28/76/212012876.db2.gz ONBNIWZJLWQEHT-INIZCTEOSA-N 1 0 335.386 3.846 40 0 EHABRO COc1cccc([C@H]2CN(Cc3cccc(C)c3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019235077 212007536 /nfs/dbraw/zinc/00/75/36/212007536.db2.gz XDXPATJFMLYTMF-YPAWHYETSA-N 1 0 336.479 3.724 40 0 EHABRO O=C([C@H]1CCC[N@@H+](CC2(c3ccc(Cl)cc3)CC2)C1)N1CCCC1 ZINC000012364618 211355948 /nfs/dbraw/zinc/35/59/48/211355948.db2.gz ZIWJOVKUKYCIFZ-INIZCTEOSA-N 1 0 346.902 3.706 40 0 EHABRO CCc1cccc2c(CC(=O)N[C@@H](CC)C[NH+]3CCCC3)c(C)[nH]c21 ZINC000012362820 211356055 /nfs/dbraw/zinc/35/60/55/211356055.db2.gz HDBFKISIUIJZCM-KRWDZBQOSA-N 1 0 341.499 3.572 40 0 EHABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000012182109 211312378 /nfs/dbraw/zinc/31/23/78/211312378.db2.gz GBOVVLCBJFNDBS-WMZOPIPTSA-N 1 0 337.467 3.854 40 0 EHABRO CC(C)C[NH2+]CCCCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000004778087 210277405 /nfs/dbraw/zinc/27/74/05/210277405.db2.gz CJUJVBBWCMXPNU-UHFFFAOYSA-N 1 0 348.487 3.854 40 0 EHABRO Oc1ccc2c3c1O[C@H]1CCC[C@@H]4[C@H](C2)[N@@H+](Cc2ccoc2)CC[C@@]314 ZINC000001565939 563392481 /nfs/dbraw/zinc/39/24/81/563392481.db2.gz QJTYWRUTNAJPQP-JQZBISMTSA-N 1 0 337.419 3.615 40 0 EHABRO CC[NH+](CC)CCO[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000005572794 563540771 /nfs/dbraw/zinc/54/07/71/563540771.db2.gz OFVKGYAZUDNNGS-QHCPKHFHSA-N 1 0 331.481 3.798 40 0 EHABRO CC[NH+](CC)C[C@@H](O)C1c2ccccc2N(C(C)=O)c2ccccc21 ZINC000005807646 563550777 /nfs/dbraw/zinc/55/07/77/563550777.db2.gz ROUPDYXEIZMKLC-HXUWFJFHSA-N 1 0 338.451 3.519 40 0 EHABRO Cc1ccc(CSCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013632834 563705110 /nfs/dbraw/zinc/70/51/10/563705110.db2.gz XISXOWYTBTVLGE-UHFFFAOYSA-N 1 0 334.529 3.611 40 0 EHABRO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220785 563901717 /nfs/dbraw/zinc/90/17/17/563901717.db2.gz MDPRGUCLBBDVFL-GOSISDBHSA-N 1 0 342.870 3.868 40 0 EHABRO O=C1CC[C@]2(CCC[N@H+](CC3CCCCC3)CC2)N1C[C@H]1CCCO1 ZINC000585099827 563971399 /nfs/dbraw/zinc/97/13/99/563971399.db2.gz DFLJKYXZXWNBGM-CTNGQTDRSA-N 1 0 348.531 3.593 40 0 EHABRO Fc1cccc(Cn2c3ccccc3nc2OCC2CC[NH2+]CC2)c1 ZINC000091355995 563975332 /nfs/dbraw/zinc/97/53/32/563975332.db2.gz ADGLMUATVCSXIM-UHFFFAOYSA-N 1 0 339.414 3.602 40 0 EHABRO Cc1ccccc1C[NH+]1CC2(C1)CCN(C(=O)Nc1ccccc1)C2 ZINC000096070792 563978962 /nfs/dbraw/zinc/97/89/62/563978962.db2.gz MLCGQTCIJFQMLR-UHFFFAOYSA-N 1 0 335.451 3.735 40 0 EHABRO O=C(CC1CCCC1)N1CCC2(CCC[N@@H+]2Cc2cccnc2)CC1 ZINC000096075377 563979072 /nfs/dbraw/zinc/97/90/72/563979072.db2.gz WPNHEIAWOLHESB-UHFFFAOYSA-N 1 0 341.499 3.619 40 0 EHABRO Cc1ncsc1C[N@@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC000096109258 563979226 /nfs/dbraw/zinc/97/92/26/563979226.db2.gz ILURVYMEWLCUNJ-MJGOQNOKSA-N 1 0 343.496 3.665 40 0 EHABRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096100320 563979269 /nfs/dbraw/zinc/97/92/69/563979269.db2.gz WQHPJIHCTQCVBD-FQEVSTJZSA-N 1 0 338.476 3.648 40 0 EHABRO c1ccc(C[C@H]2C[N@H+](C3CCOCC3)CC[C@H]2OCC2CC2)cc1 ZINC000096110300 563979278 /nfs/dbraw/zinc/97/92/78/563979278.db2.gz HNLFCIXVNKRYSE-PZJWPPBQSA-N 1 0 329.484 3.525 40 0 EHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096215871 563980262 /nfs/dbraw/zinc/98/02/62/563980262.db2.gz RFZRQIIELBVARG-SFHVURJKSA-N 1 0 331.485 3.533 40 0 EHABRO OC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](C2CCC2)CC1 ZINC000585282190 563981809 /nfs/dbraw/zinc/98/18/09/563981809.db2.gz ZCNGZMHSLBVQNJ-UHFFFAOYSA-N 1 0 330.255 3.752 40 0 EHABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000585289232 563981950 /nfs/dbraw/zinc/98/19/50/563981950.db2.gz OHVAEXZWRZAGLI-PWRODBHTSA-N 1 0 325.452 3.570 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)[C@H]1O ZINC000585289547 563982042 /nfs/dbraw/zinc/98/20/42/563982042.db2.gz RJAIXGPQWDASGM-CEWLAPEOSA-N 1 0 343.442 3.927 40 0 EHABRO C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000096414583 564002115 /nfs/dbraw/zinc/00/21/15/564002115.db2.gz UBWQYEJYEDQQDU-XHZUGVROSA-N 1 0 349.478 3.606 40 0 EHABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1 ZINC000006870159 564015162 /nfs/dbraw/zinc/01/51/62/564015162.db2.gz KYGYMCABBDFYNK-UHFFFAOYSA-N 1 0 336.391 3.808 40 0 EHABRO Clc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccco4)C3)o2)cc1 ZINC000049169419 564032566 /nfs/dbraw/zinc/03/25/66/564032566.db2.gz YNNYANIRAMLTMV-ZDUSSCGKSA-N 1 0 329.787 3.973 40 0 biogenic,in-vitro EHABRO CCc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224802605 564043739 /nfs/dbraw/zinc/04/37/39/564043739.db2.gz FCMMDVAGTCOTSI-UHFFFAOYSA-N 1 0 336.479 3.704 40 0 EHABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225611257 564048379 /nfs/dbraw/zinc/04/83/79/564048379.db2.gz UJAMDTJTJLCSSO-HXUWFJFHSA-N 1 0 348.487 3.695 40 0 EHABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1 ZINC000225628195 564048660 /nfs/dbraw/zinc/04/86/60/564048660.db2.gz CVXXCLXQXCVZJY-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO CCC(=O)N1CC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257285230 564054710 /nfs/dbraw/zinc/05/47/10/564054710.db2.gz PGEYLXHHUCCOFB-AWEZNQCLSA-N 1 0 327.403 3.999 40 0 EHABRO Cc1cnc2n1C[C@H](c1ccccc1)N(C(=O)Cc1cccs1)C2 ZINC000257286734 564054749 /nfs/dbraw/zinc/05/47/49/564054749.db2.gz PMUNLUZCLPDHNN-QGZVFWFLSA-N 1 0 337.448 3.579 40 0 EHABRO FC(F)(F)c1cc(-c2ccccc2)nc(NCCCn2ccnc2)n1 ZINC000005908675 564072514 /nfs/dbraw/zinc/07/25/14/564072514.db2.gz USORYLDUWGYXEU-UHFFFAOYSA-N 1 0 347.344 3.861 40 0 EHABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000245227751 564097333 /nfs/dbraw/zinc/09/73/33/564097333.db2.gz OKDQYRMAQYYREX-QWFCFKBJSA-N 1 0 349.515 3.829 40 0 EHABRO O=C(c1ccc(Cl)cc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238885284 564120136 /nfs/dbraw/zinc/12/01/36/564120136.db2.gz PXHIMDXBEURRME-IBGZPJMESA-N 1 0 340.854 3.613 40 0 EHABRO CC[NH+](CC)CCC[C@H](CO)Nc1ccnc2cc(Cl)ccc21 ZINC000002025004 564130229 /nfs/dbraw/zinc/13/02/29/564130229.db2.gz FYKKJMZGHNIZKP-OAHLLOKOSA-N 1 0 335.879 3.783 40 0 EHABRO CC(C)(C)C[NH2+]C[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 ZINC000096269359 564146210 /nfs/dbraw/zinc/14/62/10/564146210.db2.gz NCXOMSNSLVSYMB-HNNXBMFYSA-N 1 0 333.863 3.738 40 0 biogenic,in-vitro EHABRO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 ZINC000331878164 1137924056 /nfs/dbraw/zinc/92/40/56/1137924056.db2.gz UQUGFIKIAXMFML-WDEREUQCSA-N 1 0 328.338 3.666 40 0 EHABRO O[C@H]1Cc2cc(Cl)ccc2C(=C2CC[NH2+]CC2)c2ncccc21 ZINC000004638311 210235036 /nfs/dbraw/zinc/23/50/36/210235036.db2.gz LWCSUGDLKORNAJ-KRWDZBQOSA-N 1 0 326.827 3.510 40 0 in-vitro EHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000067802656 215215361 /nfs/dbraw/zinc/21/53/61/215215361.db2.gz FKIHNHUACUKSLS-UHFFFAOYSA-N 1 0 342.842 3.968 40 0 EHABRO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039755399 213242414 /nfs/dbraw/zinc/24/24/14/213242414.db2.gz JZNHQCJWLKDEDE-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039766361 213241773 /nfs/dbraw/zinc/24/17/73/213241773.db2.gz HFZLSEKBVWQELP-UHFFFAOYSA-N 1 0 348.368 3.955 40 0 EHABRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039767025 213241863 /nfs/dbraw/zinc/24/18/63/213241863.db2.gz NFPVWCUXWUOAHM-UHFFFAOYSA-N 1 0 330.378 3.816 40 0 EHABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358503 216165856 /nfs/dbraw/zinc/16/58/56/216165856.db2.gz YKTYMKDMWOAXBW-HNNXBMFYSA-N 1 0 331.847 3.623 40 0 EHABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+](C(C)C)C3)n2)n1 ZINC000072375926 216179636 /nfs/dbraw/zinc/17/96/36/216179636.db2.gz AOBZKNIXHNUIGM-INIZCTEOSA-N 1 0 325.460 3.820 40 0 EHABRO Fc1ccc(C[NH+]2CCC(c3cccc(-n4ccnc4)n3)CC2)cc1 ZINC000072379081 216181394 /nfs/dbraw/zinc/18/13/94/216181394.db2.gz DBMMXOXHRSJAMX-UHFFFAOYSA-N 1 0 336.414 3.786 40 0 EHABRO O=c1cc(C2CC[NH+](Cc3ccccc3)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392742 216190909 /nfs/dbraw/zinc/19/09/09/216190909.db2.gz LFQBOUBBZBUOJI-UHFFFAOYSA-N 1 0 346.434 3.624 40 0 EHABRO CCc1ccc([C@@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)N(C)C)cc1 ZINC000023805459 212395594 /nfs/dbraw/zinc/39/55/94/212395594.db2.gz CXZWGUBSCBLBEN-JOCHJYFZSA-N 1 0 348.494 3.827 40 0 EHABRO CCOc1ccccc1NC(=S)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000225727163 242008376 /nfs/dbraw/zinc/00/83/76/242008376.db2.gz RUZPFWCIDUZBEB-HZPDHXFCSA-N 1 0 349.544 3.740 40 0 EHABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000020455943 212131865 /nfs/dbraw/zinc/13/18/65/212131865.db2.gz NOSPERQSFFBYCU-KRWDZBQOSA-N 1 0 332.488 3.570 40 0 EHABRO [NH3+][C@@H](c1ccccc1F)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000255190452 244048142 /nfs/dbraw/zinc/04/81/42/244048142.db2.gz XIHDYRGWLFXHEB-LJQANCHMSA-N 1 0 342.414 3.874 40 0 EHABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+](Cc3cnccn3)C2)nc1 ZINC000257235186 244227347 /nfs/dbraw/zinc/22/73/47/244227347.db2.gz GWVDVLXMFOGABK-QGZVFWFLSA-N 1 0 349.438 3.523 40 0 EHABRO Cc1cncc([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257241339 244243979 /nfs/dbraw/zinc/24/39/79/244243979.db2.gz HXRXVMKGHYTYOF-KRWDZBQOSA-N 1 0 333.439 3.555 40 0 EHABRO Cc1c[nH]c(-c2cc(C[C@@H]3CCC[N@@H+](C4CCCCC4)C3)ncn2)n1 ZINC000257241365 244244269 /nfs/dbraw/zinc/24/42/69/244244269.db2.gz HXUNACJHEFBYMJ-INIZCTEOSA-N 1 0 339.487 3.762 40 0 EHABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1cnn(-c2ccccc2)c1 ZINC000019719707 212056828 /nfs/dbraw/zinc/05/68/28/212056828.db2.gz ACHSCGBBFNOFLB-GOSISDBHSA-N 1 0 335.455 3.783 40 0 EHABRO CN(CC[NH+]1CCCCC1)Cc1ccccc1OCc1ccccn1 ZINC000019586094 212047298 /nfs/dbraw/zinc/04/72/98/212047298.db2.gz QZQVGMYZICZCRT-UHFFFAOYSA-N 1 0 339.483 3.578 40 0 EHABRO CCc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019523463 212036469 /nfs/dbraw/zinc/03/64/69/212036469.db2.gz OZZHJCJGNODWPA-UYWIDEMCSA-N 1 0 337.467 3.720 40 0 EHABRO c1ccc2c(c1)CC[N@@H+](Cc1c3cccnc3[nH]c1[C@H]1CCCO1)C2 ZINC000019375391 212024727 /nfs/dbraw/zinc/02/47/27/212024727.db2.gz PSCCGCGKSDWTMV-LJQANCHMSA-N 1 0 333.435 3.973 40 0 EHABRO c1ccc(CN2CCC[C@]3(C2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000019372014 212022238 /nfs/dbraw/zinc/02/22/38/212022238.db2.gz LUTQFAMQSNTGNR-JOCHJYFZSA-N 1 0 331.463 3.805 40 0 EHABRO Fc1cccc(F)c1Cn1c([C@H]2CCC[NH2+]C2)cc2cccnc21 ZINC000019292661 212012970 /nfs/dbraw/zinc/01/29/70/212012970.db2.gz HCTZGYGYPGFWDK-AWEZNQCLSA-N 1 0 327.378 3.830 40 0 EHABRO COc1cccc(C[NH+]2CCC(c3cc4ncc(C)nc4[nH]3)CC2)c1 ZINC000019239395 212008974 /nfs/dbraw/zinc/00/89/74/212008974.db2.gz WSCYENNPPHBIGY-UHFFFAOYSA-N 1 0 336.439 3.655 40 0 EHABRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)c(OC)c1 ZINC000012366518 211357041 /nfs/dbraw/zinc/35/70/41/211357041.db2.gz UHTLGZIIAABPKH-KBXCAEBGSA-N 1 0 330.428 3.501 40 0 EHABRO CC(C)CC(=O)N1C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000012220122 211322043 /nfs/dbraw/zinc/32/20/43/211322043.db2.gz USLAFBJMVNKJQZ-AEFFLSMTSA-N 1 0 334.891 3.809 40 0 EHABRO O=C(NCCC[NH+]1CCCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000010277087 211159896 /nfs/dbraw/zinc/15/98/96/211159896.db2.gz NTLQOBWMNIWGEN-LVZFUZTISA-N 1 0 338.451 3.812 40 0 EHABRO Cc1cc(-c2noc(C3CC[NH2+]CC3)n2)cc(C)c1OCC(C)C ZINC000095095375 218280712 /nfs/dbraw/zinc/28/07/12/218280712.db2.gz AOQCIELQVLXXMJ-UHFFFAOYSA-N 1 0 329.444 3.855 40 0 EHABRO Cc1nc(CN2C(=O)CCC23CC[NH+](CC2CCCC2)CC3)cs1 ZINC000096228198 218704383 /nfs/dbraw/zinc/70/43/83/218704383.db2.gz KOPBCVWIJGBLMU-UHFFFAOYSA-N 1 0 347.528 3.599 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000005044953 210373086 /nfs/dbraw/zinc/37/30/86/210373086.db2.gz VTOTZHZPJYFTJL-XQAZHSKSSA-N 1 0 349.559 3.948 40 0 EHABRO COc1ccc(/C=C/c2cc[n+](C)cc2)cc1Cn1nc(C)cc1C ZINC000005002297 210357148 /nfs/dbraw/zinc/35/71/48/210357148.db2.gz XEQXVTPOKNKDGX-AATRIKPKSA-N 1 0 334.443 3.552 40 0 EHABRO O=C(c1ccccc1Cl)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238941360 257841884 /nfs/dbraw/zinc/84/18/84/257841884.db2.gz WAGLXGSRBYEBGF-QGZVFWFLSA-N 1 0 340.854 3.613 40 0 EHABRO O=C1OC2=C(CCCC2)[C@@H]([NH+]2CCCCC2)C12SCCCS2 ZINC000005432418 563532835 /nfs/dbraw/zinc/53/28/35/563532835.db2.gz OEYWTFIUIXVNHY-OAHLLOKOSA-N 1 0 339.526 3.792 40 0 EHABRO CCOc1cccc(CNCCC[NH+](C)C)c1OCc1ccccc1 ZINC000008325502 563626501 /nfs/dbraw/zinc/62/65/01/563626501.db2.gz QSNPFAXRMYFMFO-UHFFFAOYSA-N 1 0 342.483 3.706 40 0 EHABRO C[NH+](C)CCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008373867 563627909 /nfs/dbraw/zinc/62/79/09/563627909.db2.gz LCGMTUMCTLUSJN-UHFFFAOYSA-N 1 0 332.875 3.960 40 0 EHABRO Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000016507983 563814042 /nfs/dbraw/zinc/81/40/42/563814042.db2.gz YEFDPSWJKZOOQB-UHFFFAOYSA-N 1 0 336.479 3.840 40 0 EHABRO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044912331 563928269 /nfs/dbraw/zinc/92/82/69/563928269.db2.gz NMKNOZZMCXGZKE-IBGZPJMESA-N 1 0 340.442 3.663 40 0 EHABRO COc1cc2nc(-c3ccc(C[NH3+])cc3)oc2c(Br)c1 ZINC000045920224 563929464 /nfs/dbraw/zinc/92/94/64/563929464.db2.gz ZYJHMZOXQOWJAU-UHFFFAOYSA-N 1 0 333.185 3.725 40 0 EHABRO Cc1nn2c(nc(C)cc2NCCC[NH+](C)C)c1-c1ccc(F)cc1 ZINC000072341675 563966409 /nfs/dbraw/zinc/96/64/09/563966409.db2.gz OGLVVTFWXKJSDI-UHFFFAOYSA-N 1 0 341.434 3.516 40 0 EHABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 ZINC000096079182 563979144 /nfs/dbraw/zinc/97/91/44/563979144.db2.gz WXRDWCNCWNRYEA-SFHVURJKSA-N 1 0 340.492 3.929 40 0 EHABRO COc1ccc2c(c1)C1(CCN(Cc3cccs3)CC1)[N@@H+](C)CC2 ZINC000096100209 563979214 /nfs/dbraw/zinc/97/92/14/563979214.db2.gz ZHAYPRTVFVKJOG-UHFFFAOYSA-N 1 0 342.508 3.736 40 0 EHABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1cccs1)C2 ZINC000096100317 563979257 /nfs/dbraw/zinc/97/92/57/563979257.db2.gz FDOWNUZBIYNMOX-HXUWFJFHSA-N 1 0 338.476 3.648 40 0 EHABRO O=C(c1cccc(Cl)c1)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000096159222 563979817 /nfs/dbraw/zinc/97/98/17/563979817.db2.gz RWYKZQHMYRJIED-UHFFFAOYSA-N 1 0 332.875 3.821 40 0 EHABRO Cc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000096216124 563980308 /nfs/dbraw/zinc/98/03/08/563980308.db2.gz DENHUKMGXMDAAD-QFIPXVFZSA-N 1 0 335.495 3.878 40 0 EHABRO CC(C)[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1O2 ZINC000096242729 563980548 /nfs/dbraw/zinc/98/05/48/563980548.db2.gz FZPTWIGDTLGMOE-KBAYOESNSA-N 1 0 342.483 3.525 40 0 EHABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2cc(F)ccc21 ZINC000096241831 563980564 /nfs/dbraw/zinc/98/05/64/563980564.db2.gz HTSLDZLTXRXJNR-MRXNPFEDSA-N 1 0 344.474 3.535 40 0 EHABRO FCCN1CCC2(CC1)C[C@H]([NH2+]Cc1ccoc1)c1ccccc1O2 ZINC000096242732 563980579 /nfs/dbraw/zinc/98/05/79/563980579.db2.gz LWSHMZKXASYVGM-SFHVURJKSA-N 1 0 344.430 3.697 40 0 EHABRO Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]2C1 ZINC000096245607 563980592 /nfs/dbraw/zinc/98/05/92/563980592.db2.gz QKGRBCJZEXVWIU-KDURUIRLSA-N 1 0 335.451 3.591 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]Cc3ccc(F)cc3F)[C@H]2O)c1 ZINC000585288469 563982065 /nfs/dbraw/zinc/98/20/65/563982065.db2.gz BENRSYBUSAPGRJ-XUVXKRRUSA-N 1 0 347.405 3.724 40 0 EHABRO Cc1ccc(OCC[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369845 563990989 /nfs/dbraw/zinc/99/09/89/563990989.db2.gz UKOBQRYXYFTMCW-SFHVURJKSA-N 1 0 349.434 3.913 40 0 EHABRO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCc1cccs1 ZINC000008326362 564016094 /nfs/dbraw/zinc/01/60/94/564016094.db2.gz NXXUTEKIASANAB-HNNXBMFYSA-N 1 0 335.469 3.586 40 0 EHABRO Clc1cccc(-n2nnnc2C2([NH+]3CCCCC3)CCCC2)c1 ZINC000005671221 564032897 /nfs/dbraw/zinc/03/28/97/564032897.db2.gz MYKBXRGZZOUZJX-UHFFFAOYSA-N 1 0 331.851 3.571 40 0 EHABRO FC(F)(F)c1n(-c2ccccn2)c2ccccc2[n+]1-c1ccccn1 ZINC000223812121 564040908 /nfs/dbraw/zinc/04/09/08/564040908.db2.gz AWTZEGXMOZDFME-UHFFFAOYSA-N 1 0 341.316 3.716 40 0 EHABRO C[C@H]1CCC[N@H+](CCCNC(=O)C2(c3ccccc3)CCCC2)C1 ZINC000224425487 564042701 /nfs/dbraw/zinc/04/27/01/564042701.db2.gz GYZGKQIJWQNWME-SFHVURJKSA-N 1 0 328.500 3.737 40 0 EHABRO O=C(Cc1ccccc1F)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224703684 564043562 /nfs/dbraw/zinc/04/35/62/564043562.db2.gz CDAKKQWOZBOJFW-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)c(Cl)c1 ZINC000225607280 564048329 /nfs/dbraw/zinc/04/83/29/564048329.db2.gz KSDZKDVSSJOWFC-HNNXBMFYSA-N 1 0 338.879 3.733 40 0 EHABRO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000257335120 564055641 /nfs/dbraw/zinc/05/56/41/564055641.db2.gz YISZPKXGVDYBIH-HNNXBMFYSA-N 1 0 326.419 3.867 40 0 EHABRO Fc1cccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)c1 ZINC000306129807 564062161 /nfs/dbraw/zinc/06/21/61/564062161.db2.gz INLOTNQKIDUMJG-RTBURBONSA-N 1 0 347.437 3.994 40 0 EHABRO c1csc(-c2cnc3n2CC[C@@]32CC[N@@H+](Cc3nccs3)C2)c1 ZINC000306137997 564062331 /nfs/dbraw/zinc/06/23/31/564062331.db2.gz RLXUFSXEWWXGDF-QGZVFWFLSA-N 1 0 342.493 3.616 40 0 EHABRO CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)n1 ZINC000329058411 564071998 /nfs/dbraw/zinc/07/19/98/564071998.db2.gz WCRJYIUJCHOLTF-SNVBAGLBSA-N 1 0 334.826 3.944 40 0 EHABRO CCNc1nc(N2CCc3cc(Cl)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329065342 564072040 /nfs/dbraw/zinc/07/20/40/564072040.db2.gz XQJQLAIMANKJHM-UHFFFAOYSA-N 1 0 330.863 3.670 40 0 EHABRO Cc1ccc2c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)coc2c1 ZINC000027587407 564132341 /nfs/dbraw/zinc/13/23/41/564132341.db2.gz UTCYFFHDYPRKHN-UHFFFAOYSA-N 1 0 328.456 3.709 40 0 EHABRO CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000033939466 568415167 /nfs/dbraw/zinc/41/51/67/568415167.db2.gz WSKXGBNAMBVZFM-RVDMUPIBSA-N 1 0 336.432 3.942 40 0 EHABRO Cc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccco4)C2)OC3)c1 ZINC000306125266 1137871203 /nfs/dbraw/zinc/87/12/03/1137871203.db2.gz CKWIJNBSBNOOTJ-OAQYLSRUSA-N 1 0 349.434 3.626 40 0 EHABRO CC(C)(C)OC(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC000098213864 219088433 /nfs/dbraw/zinc/08/84/33/219088433.db2.gz KMVWPDGLGCSRCV-UHFFFAOYSA-N 1 0 344.377 3.890 40 0 EHABRO O=C(c1ccccc1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000036055841 213058046 /nfs/dbraw/zinc/05/80/46/213058046.db2.gz ONAFYSXUZBYFOI-PLACYPQZSA-N 1 0 336.479 3.722 40 0 EHABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072354665 216164144 /nfs/dbraw/zinc/16/41/44/216164144.db2.gz ZZOCZQAZXSXRCL-SFHVURJKSA-N 1 0 349.413 3.597 40 0 EHABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)c1 ZINC000072390042 216189928 /nfs/dbraw/zinc/18/99/28/216189928.db2.gz DAYQMPUIGDLJPF-HNNXBMFYSA-N 1 0 338.386 3.650 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(F)c(F)c2)C1 ZINC000225729255 242007984 /nfs/dbraw/zinc/00/79/84/242007984.db2.gz LRQVTDYVVQQZIB-BETUJISGSA-N 1 0 341.471 3.619 40 0 EHABRO Cc1cc(-c2ccnn2C(C)C)nc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257269523 244373726 /nfs/dbraw/zinc/37/37/26/244373726.db2.gz MQIWLBWFOCMHTD-UHFFFAOYSA-N 1 0 327.476 3.817 40 0 EHABRO COc1cc2c(cc1OC)[C@@H](C(C)C)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019451427 212028173 /nfs/dbraw/zinc/02/81/73/212028173.db2.gz RJEAFBNHMMEYSZ-VQIMIIECSA-N 1 0 342.439 3.692 40 0 EHABRO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)nc(-c2ccccn2)[nH]1 ZINC000019372021 212022035 /nfs/dbraw/zinc/02/20/35/212022035.db2.gz JFNGPAILAVSMQP-LJQANCHMSA-N 1 0 346.434 3.559 40 0 EHABRO Cc1ccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019210209 212004144 /nfs/dbraw/zinc/00/41/44/212004144.db2.gz ILIFAUKXJWABND-UHFFFAOYSA-N 1 0 334.423 3.820 40 0 EHABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000012119062 211297562 /nfs/dbraw/zinc/29/75/62/211297562.db2.gz QQJYQLGKUMPRBS-MRXNPFEDSA-N 1 0 326.371 3.571 40 0 EHABRO CC1(C)CC(N(Cc2ncc[nH]2)Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000012116750 211295994 /nfs/dbraw/zinc/29/59/94/211295994.db2.gz VZFLGXOKINFHTN-UHFFFAOYSA-N 1 0 326.488 3.721 40 0 EHABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1ccsc1)CC2 ZINC000096061432 218554419 /nfs/dbraw/zinc/55/44/19/218554419.db2.gz VLCMMUHAQCSUTR-GOSISDBHSA-N 1 0 340.492 3.729 40 0 EHABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004834097 210291794 /nfs/dbraw/zinc/29/17/94/210291794.db2.gz WIYQPGDOIYFSQF-OBJOEFQTSA-N 1 0 332.271 3.996 40 0 EHABRO CCCCOC(=O)c1ccc(NC(=O)CCC[NH+](CC)CC)cc1 ZINC000004792054 210278754 /nfs/dbraw/zinc/27/87/54/210278754.db2.gz NQOXMLUITSOWNC-UHFFFAOYSA-N 1 0 334.460 3.704 40 0 EHABRO CCOC(=O)O[C@@]1(c2cccc(OC(C)C)c2)CC[N@H+](C)C[C@H]1C ZINC000504666000 257708937 /nfs/dbraw/zinc/70/89/37/257708937.db2.gz OJGKBIRRFPYKKZ-BEFAXECRSA-N 1 0 335.444 3.814 40 0 EHABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000006355913 563565652 /nfs/dbraw/zinc/56/56/52/563565652.db2.gz WSEOTWCMPKAJSV-XLIONFOSSA-N 1 0 339.479 3.998 40 0 EHABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OC ZINC000008253583 563624724 /nfs/dbraw/zinc/62/47/24/563624724.db2.gz CJFNGIBCTBEHDN-UHFFFAOYSA-N 1 0 328.250 3.889 40 0 EHABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008337067 563627576 /nfs/dbraw/zinc/62/75/76/563627576.db2.gz HFHLFMBEBBHJAW-QGZVFWFLSA-N 1 0 349.858 3.788 40 0 EHABRO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](Cc3ccc(C)o3)C2)on1 ZINC000013227376 563692579 /nfs/dbraw/zinc/69/25/79/563692579.db2.gz QRNRHQQUQCFHIW-ZDUSSCGKSA-N 1 0 344.440 3.783 40 0 EHABRO Clc1ccccc1C[NH+]1CCC(n2cnc3cccnc32)CC1 ZINC000013266970 563693512 /nfs/dbraw/zinc/69/35/12/563693512.db2.gz IOYQBMNJTTXHLX-UHFFFAOYSA-N 1 0 326.831 3.922 40 0 EHABRO COc1ccc2c(c1O)[C@]13CC=[NH+][C@H](C2)[C@@H]1C(C)(C)C(C)(C)C(=O)C3 ZINC000031771644 563912994 /nfs/dbraw/zinc/91/29/94/563912994.db2.gz YZUICYYRVXDGNI-XMLVGPMBSA-N 1 0 341.451 3.679 40 0 EHABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1CCCC1 ZINC000044899879 563927625 /nfs/dbraw/zinc/92/76/25/563927625.db2.gz QCJKZIRXKULELT-LJQANCHMSA-N 1 0 340.467 3.599 40 0 EHABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)c1 ZINC000585105401 563971558 /nfs/dbraw/zinc/97/15/58/563971558.db2.gz WAKRRIRGDBMORA-QGZVFWFLSA-N 1 0 342.439 3.515 40 0 EHABRO c1csc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000585104408 563971583 /nfs/dbraw/zinc/97/15/83/563971583.db2.gz IEFUGNSCPWWULJ-KRWDZBQOSA-N 1 0 335.513 3.936 40 0 EHABRO Fc1cccc(Cn2c3ccccc3nc2OC[C@H]2CCC[NH2+]C2)c1 ZINC000091355993 563975331 /nfs/dbraw/zinc/97/53/31/563975331.db2.gz LLZARQSIYBRYJM-INIZCTEOSA-N 1 0 339.414 3.602 40 0 EHABRO Fc1ccc(-c2ncnc3c2CC[N@H+](Cc2cccs2)CC3)cc1 ZINC000096058697 563978822 /nfs/dbraw/zinc/97/88/22/563978822.db2.gz PLABLXSVHKYLQF-UHFFFAOYSA-N 1 0 339.439 3.945 40 0 EHABRO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2ccncc2)C3)c1 ZINC000096209103 563980179 /nfs/dbraw/zinc/98/01/79/563980179.db2.gz KBCMXZRHHUJTQJ-RTWAWAEBSA-N 1 0 337.467 3.604 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)s1 ZINC000096221687 563980464 /nfs/dbraw/zinc/98/04/64/563980464.db2.gz PVPVBUSMAOBHEO-QGZVFWFLSA-N 1 0 344.480 3.654 40 0 EHABRO c1csc(C[NH+]2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)c1 ZINC000096221801 563980479 /nfs/dbraw/zinc/98/04/79/563980479.db2.gz MRYWCPHDLIXJGU-KRWDZBQOSA-N 1 0 329.465 3.951 40 0 EHABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096239613 563980519 /nfs/dbraw/zinc/98/05/19/563980519.db2.gz KILZBJZKKXKMGR-QGZVFWFLSA-N 1 0 349.450 3.881 40 0 EHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]Cc2cc(C(C)C)no2)[C@H]1O ZINC000585288561 563982067 /nfs/dbraw/zinc/98/20/67/563982067.db2.gz DRRKDBQRQAWHFC-PWIZWCRZSA-N 1 0 344.455 3.557 40 0 EHABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219390 563985780 /nfs/dbraw/zinc/98/57/80/563985780.db2.gz FGNMGNPSISHKCR-HXUWFJFHSA-N 1 0 337.467 3.564 40 0 EHABRO CC(C)c1nc2ccccc2n1C[C@@H](O)COc1ccc(F)cc1 ZINC000000787275 563998128 /nfs/dbraw/zinc/99/81/28/563998128.db2.gz VTZIJXZJUWFNDJ-OAHLLOKOSA-N 1 0 328.387 3.739 40 0 EHABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)o1 ZINC000005996882 564014405 /nfs/dbraw/zinc/01/44/05/564014405.db2.gz XJKIIAMGHZLGEJ-UHFFFAOYSA-N 1 0 349.228 3.890 40 0 EHABRO Cc1ccc(C)c(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c1 ZINC000225215584 564045442 /nfs/dbraw/zinc/04/54/42/564045442.db2.gz FBKQUQSXZJOMLE-UHFFFAOYSA-N 1 0 349.569 3.513 40 0 EHABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225611924 564048407 /nfs/dbraw/zinc/04/84/07/564048407.db2.gz JMWYBQYWGWOWHW-HXUWFJFHSA-N 1 0 348.487 3.695 40 0 EHABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 ZINC000257331262 564055615 /nfs/dbraw/zinc/05/56/15/564055615.db2.gz XSBKWEDIQTTXMB-AIGDTVQASA-N 1 0 335.451 3.520 40 0 EHABRO c1ccc(CNc2ncc3c(n2)CC[C@H]([NH2+]Cc2ccccc2)C3)cc1 ZINC000306134205 564062239 /nfs/dbraw/zinc/06/22/39/564062239.db2.gz NFSRYWWHHLQYPN-FQEVSTJZSA-N 1 0 344.462 3.736 40 0 EHABRO CN1C[C@@H]2[N@H+](Cc3ccsc3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306143714 564062401 /nfs/dbraw/zinc/06/24/01/564062401.db2.gz YKHGBASRRORODF-ICSRJNTNSA-N 1 0 340.492 3.513 40 0 EHABRO CCC[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575421424 564079109 /nfs/dbraw/zinc/07/91/09/564079109.db2.gz QMBXGZRJGZWCJU-IBGZPJMESA-N 1 0 343.492 3.675 40 0 EHABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccccc1OCC(C)C ZINC000019712529 564128083 /nfs/dbraw/zinc/12/80/83/564128083.db2.gz UHXVQFMNDGIPQJ-WOJBJXKFSA-N 1 0 344.499 3.697 40 0 EHABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000095534894 564141647 /nfs/dbraw/zinc/14/16/47/564141647.db2.gz OHVLQCUMMZJVQF-AWEZNQCLSA-N 1 0 332.329 3.733 40 0 EHABRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2)c1 ZINC000016352405 564177004 /nfs/dbraw/zinc/17/70/04/564177004.db2.gz ZGSJHDUHKWWBFB-RBUKOAKNSA-N 1 0 327.424 3.574 40 0 EHABRO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccco4)C2)OC3)c1 ZINC000306125265 1137871216 /nfs/dbraw/zinc/87/12/16/1137871216.db2.gz CKWIJNBSBNOOTJ-NRFANRHFSA-N 1 0 349.434 3.626 40 0 EHABRO CCCC[NH+](CCCC)Cc1ccc([C@H]2C[C@H](C(N)=O)CC2=O)cc1 ZINC000057327826 214419611 /nfs/dbraw/zinc/41/96/11/214419611.db2.gz FXOLDAHPYBOPMB-RBUKOAKNSA-N 1 0 344.499 3.637 40 0 EHABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3F)CC2)c1 ZINC000039762699 213241976 /nfs/dbraw/zinc/24/19/76/213241976.db2.gz LGLJXFXCNGAEDZ-UHFFFAOYSA-N 1 0 326.415 3.985 40 0 EHABRO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038852379 213228153 /nfs/dbraw/zinc/22/81/53/213228153.db2.gz DXXCBRPEZACFEF-HXUWFJFHSA-N 1 0 326.484 3.905 40 0 EHABRO C=Cn1ncc(C[N@H+](CCCn2ccnc2)Cc2ccccc2C)c1C ZINC000036740165 213115164 /nfs/dbraw/zinc/11/51/64/213115164.db2.gz AFKNUTJPAZADNQ-UHFFFAOYSA-N 1 0 349.482 3.889 40 0 EHABRO CCc1nccn1-c1nccnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000072350485 216162449 /nfs/dbraw/zinc/16/24/49/216162449.db2.gz MDJYAEPWHNNIEJ-UHFFFAOYSA-N 1 0 347.466 3.604 40 0 EHABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000072369852 216177655 /nfs/dbraw/zinc/17/76/55/216177655.db2.gz DBDKADZKTJDEGE-KRWDZBQOSA-N 1 0 335.407 3.735 40 0 EHABRO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CC[NH2+]C1 ZINC000072391949 216191562 /nfs/dbraw/zinc/19/15/62/216191562.db2.gz VTILDBYRFUUVGX-QFIPXVFZSA-N 1 0 336.479 3.648 40 0 EHABRO C[C@@H]1Cc2cc(CN(CC[NH+](C)C)Cc3cccs3)ccc2O1 ZINC000023247881 212363976 /nfs/dbraw/zinc/36/39/76/212363976.db2.gz RPBRCTPCPSCORE-OAHLLOKOSA-N 1 0 330.497 3.635 40 0 EHABRO C[NH+](C)CCN(Cc1cccs1)Cc1c[nH]nc1-c1cccs1 ZINC000023247856 212364048 /nfs/dbraw/zinc/36/40/48/212364048.db2.gz YCRAIAUYBMAVGG-UHFFFAOYSA-N 1 0 346.525 3.764 40 0 EHABRO CCc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224517705 241764020 /nfs/dbraw/zinc/76/40/20/241764020.db2.gz RXMXHCUUJRFVDP-UHFFFAOYSA-N 1 0 336.479 3.704 40 0 EHABRO CCCn1nccc1-c1cc(C)nc(CC2CC[NH+](C(C)C)CC2)n1 ZINC000257203846 244127933 /nfs/dbraw/zinc/12/79/33/244127933.db2.gz ARXLBYMOHPUODU-UHFFFAOYSA-N 1 0 341.503 3.721 40 0 EHABRO c1cnc(Nc2ccc([C@@H]3CCCC[N@H+]3Cc3ccncc3)cn2)nc1 ZINC000257231813 244216778 /nfs/dbraw/zinc/21/67/78/244216778.db2.gz GIHJAAVJNYDAQG-SFHVURJKSA-N 1 0 346.438 3.737 40 0 EHABRO CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cncs2)n1 ZINC000257241768 244245980 /nfs/dbraw/zinc/24/59/80/244245980.db2.gz HZNIRTSXKUKJIE-INIZCTEOSA-N 1 0 330.501 3.591 40 0 EHABRO CCc1ccccc1O[C@H](C)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000020104738 212101216 /nfs/dbraw/zinc/10/12/16/212101216.db2.gz NXMZYPWJKOVDCC-MJGOQNOKSA-N 1 0 346.515 3.787 40 0 EHABRO Cc1cc(C)n(C2CC[NH+](Cc3ccc(-n4ccnc4C)cc3)CC2)n1 ZINC000019659162 212054288 /nfs/dbraw/zinc/05/42/88/212054288.db2.gz BLSZUQNAJGRAAT-UHFFFAOYSA-N 1 0 349.482 3.831 40 0 EHABRO COc1ccc(CC(=O)N2CCC(c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000019554110 212040366 /nfs/dbraw/zinc/04/03/66/212040366.db2.gz KNPIWWCLTALYOJ-UHFFFAOYSA-N 1 0 349.434 3.520 40 0 EHABRO CC(C)CC(=O)N[C@H](c1ccccn1)C1CC[NH+](CC(C)C)CC1 ZINC000019446678 212028781 /nfs/dbraw/zinc/02/87/81/212028781.db2.gz LWOGNFUEOISPSC-FQEVSTJZSA-N 1 0 331.504 3.653 40 0 EHABRO c1ccc(CC[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019371246 212023216 /nfs/dbraw/zinc/02/32/16/212023216.db2.gz GWXITWSOOYZYFD-UHFFFAOYSA-N 1 0 334.423 3.554 40 0 EHABRO Cc1nccc(-c2ccc(-c3noc(C[NH+]4CCCCCC4)n3)cc2)n1 ZINC000012337084 211351179 /nfs/dbraw/zinc/35/11/79/211351179.db2.gz ZIVRFRPPIXSUQO-UHFFFAOYSA-N 1 0 349.438 3.878 40 0 EHABRO CCOc1ncccc1-c1noc(C[N@H+](CC)C2CCCCC2)n1 ZINC000012365440 211357338 /nfs/dbraw/zinc/35/73/38/211357338.db2.gz DXHLROWOUUALLJ-UHFFFAOYSA-N 1 0 330.432 3.685 40 0 EHABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1OC ZINC000012222637 211324502 /nfs/dbraw/zinc/32/45/02/211324502.db2.gz HSBXGIZLBDTKGH-QGZVFWFLSA-N 1 0 337.423 3.917 40 0 EHABRO Cc1c2ccccc2[nH]c1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012205003 211321195 /nfs/dbraw/zinc/32/11/95/211321195.db2.gz TVQSJVRIVVZNNU-GASCZTMLSA-N 1 0 327.472 3.574 40 0 EHABRO Cc1cc(-c2cnc(NCCC[NH+](C)C)nc2-c2cccs2)on1 ZINC000012155715 211308953 /nfs/dbraw/zinc/30/89/53/211308953.db2.gz JFSIAPOVFQWVBK-UHFFFAOYSA-N 1 0 343.456 3.532 40 0 EHABRO COc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000011557475 211222137 /nfs/dbraw/zinc/22/21/37/211222137.db2.gz VVRNYRDNAHCJKH-UHFFFAOYSA-N 1 0 339.439 3.613 40 0 EHABRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N1CCOCC1 ZINC000072219329 257686820 /nfs/dbraw/zinc/68/68/20/257686820.db2.gz AVBPJGLDCZGCRS-FQEVSTJZSA-N 1 0 337.467 3.564 40 0 EHABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NCC[NH+]1CCCCCC1 ZINC000013709544 518178611 /nfs/dbraw/zinc/17/86/11/518178611.db2.gz NDLHINBNMZOJCQ-QGZVFWFLSA-N 1 0 340.467 3.599 40 0 EHABRO CCOc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225727235 535750542 /nfs/dbraw/zinc/75/05/42/535750542.db2.gz NUFXVNCOOQCCKE-IYBDPMFKSA-N 1 0 349.544 3.740 40 0 EHABRO CC[NH+](CC)CCCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001668771 563401385 /nfs/dbraw/zinc/40/13/85/563401385.db2.gz OFYQRWBTZQABFW-NHCUHLMSSA-N 1 0 326.484 3.783 40 0 EHABRO CCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008253204 563624372 /nfs/dbraw/zinc/62/43/72/563624372.db2.gz NBGXCYWQRGVVEB-UHFFFAOYSA-N 1 0 347.430 3.930 40 0 EHABRO CCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1OCC ZINC000008324878 563626496 /nfs/dbraw/zinc/62/64/96/563626496.db2.gz PRNRVAUVPNFRNK-UHFFFAOYSA-N 1 0 329.440 3.825 40 0 EHABRO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc1O ZINC000012187038 563655369 /nfs/dbraw/zinc/65/53/69/563655369.db2.gz DPPBGYIFDFNOIS-SFHVURJKSA-N 1 0 345.414 3.721 40 0 EHABRO O[C@@H](C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000016924862 563826037 /nfs/dbraw/zinc/82/60/37/563826037.db2.gz UCNCUQNDNPWJTI-ZRZAMGCNSA-N 1 0 347.458 3.956 40 0 EHABRO S=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1 ZINC000018167139 563850083 /nfs/dbraw/zinc/85/00/83/563850083.db2.gz HIFLOZJHBXYKAK-UHFFFAOYSA-N 1 0 325.481 3.769 40 0 EHABRO c1ccc2c(c1)Sc1ccccc1N2CCCN1CC[NH2+]CC1 ZINC000022590849 563863812 /nfs/dbraw/zinc/86/38/12/563863812.db2.gz YWSUKAVVJWNXMP-UHFFFAOYSA-N 1 0 325.481 3.585 40 0 in-vitro EHABRO O=C(Cc1cccs1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030551544 563909981 /nfs/dbraw/zinc/90/99/81/563909981.db2.gz BKJHBKOUHVILEM-UHFFFAOYSA-N 1 0 328.481 3.593 40 0 EHABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)CCC2CCCC2)c2ccccn2)CC1 ZINC000257331817 563970633 /nfs/dbraw/zinc/97/06/33/563970633.db2.gz XUJRTCRKLHILED-WFXMLNOXSA-N 1 0 343.515 3.974 40 0 EHABRO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@@H+](CC(C)C)CC3)cc1 ZINC000585100843 563971496 /nfs/dbraw/zinc/97/14/96/563971496.db2.gz YOYBREPCKLVCBP-OAQYLSRUSA-N 1 0 328.500 3.998 40 0 EHABRO Cc1cccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)n1 ZINC000585105453 563971518 /nfs/dbraw/zinc/97/15/18/563971518.db2.gz WVXZPZHIUMJEIB-IBGZPJMESA-N 1 0 344.499 3.578 40 0 EHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)co1 ZINC000585105539 563971572 /nfs/dbraw/zinc/97/15/72/563971572.db2.gz ZBGWMEZYSKRZBI-SFHVURJKSA-N 1 0 342.439 3.515 40 0 EHABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)co1 ZINC000096057048 563978723 /nfs/dbraw/zinc/97/87/23/563978723.db2.gz ZPCCGJGMBOWHNR-VQTJNVASSA-N 1 0 333.472 3.858 40 0 EHABRO c1csc(CN2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096062391 563978989 /nfs/dbraw/zinc/97/89/89/563978989.db2.gz FSLGEILHWVDBLD-SFHVURJKSA-N 1 0 348.537 3.534 40 0 EHABRO OCCO[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096241573 563980514 /nfs/dbraw/zinc/98/05/14/563980514.db2.gz IRMOVWNOAMDZFH-IBGZPJMESA-N 1 0 343.492 3.736 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([N@@H+]3CCc4ccccc4C3)[C@H]2O)c1 ZINC000585289522 563982029 /nfs/dbraw/zinc/98/20/29/563982029.db2.gz QZGMBLRFMNLOJZ-BHDDXSALSA-N 1 0 337.463 3.714 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccc3)[C@H]2O)c1 ZINC000585288514 563982049 /nfs/dbraw/zinc/98/20/49/563982049.db2.gz CRPVUBNTUGYBCY-PWRODBHTSA-N 1 0 325.452 3.788 40 0 EHABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc(C)o1 ZINC000013991236 563982390 /nfs/dbraw/zinc/98/23/90/563982390.db2.gz WGEZRAIMVJRNKE-UHFFFAOYSA-N 1 0 339.439 3.886 40 0 EHABRO CC(C)C(=O)N1C[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000107249325 563984028 /nfs/dbraw/zinc/98/40/28/563984028.db2.gz ZMBLHFXFTKSPET-UNMCSNQZSA-N 1 0 348.490 3.617 40 0 EHABRO COc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000009063564 564016608 /nfs/dbraw/zinc/01/66/08/564016608.db2.gz AZCBMPHOMQVTEB-UHFFFAOYSA-N 1 0 342.414 3.685 40 0 EHABRO O=c1c(CN(Cc2ccccc2)C[C@@H]2CCCO2)coc2ccccc21 ZINC000013993307 564020837 /nfs/dbraw/zinc/02/08/37/564020837.db2.gz QEGGEPVPSWMLBZ-IBGZPJMESA-N 1 0 349.430 3.974 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1 ZINC000049170552 564032645 /nfs/dbraw/zinc/03/26/45/564032645.db2.gz GFPNPMMNIAMIAN-ZDUSSCGKSA-N 1 0 327.359 3.767 40 0 biogenic,in-vitro EHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(OC)c1 ZINC000225580845 564047994 /nfs/dbraw/zinc/04/79/94/564047994.db2.gz CETYISPNECPYQM-INIZCTEOSA-N 1 0 335.517 3.636 40 0 EHABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225586868 564048063 /nfs/dbraw/zinc/04/80/63/564048063.db2.gz SADSGNAQDLANDR-CHWSQXEVSA-N 1 0 344.377 3.544 40 0 EHABRO COC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225599778 564048208 /nfs/dbraw/zinc/04/82/08/564048208.db2.gz GNDCBNZQJKCUNX-UHFFFAOYSA-N 1 0 348.487 3.695 40 0 EHABRO c1cc2nccc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2n1 ZINC000257295728 564054930 /nfs/dbraw/zinc/05/49/30/564054930.db2.gz QZPUAKXYZHNMLW-UHFFFAOYSA-N 1 0 343.434 3.657 40 0 EHABRO NC(=O)c1sc2ncccc2c1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000257299878 564055090 /nfs/dbraw/zinc/05/50/90/564055090.db2.gz RSARXWPMBPRWLO-LBPRGKRZSA-N 1 0 329.469 3.517 40 0 EHABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000257305524 564055170 /nfs/dbraw/zinc/05/51/70/564055170.db2.gz SQKQPHVAHHEXTM-IBGZPJMESA-N 1 0 346.438 3.737 40 0 EHABRO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1cccc(-c2cncn2C)n1 ZINC000257334817 564055673 /nfs/dbraw/zinc/05/56/73/564055673.db2.gz YHMIXYQJKYHLSW-MRXNPFEDSA-N 1 0 339.468 3.584 40 0 EHABRO Fc1ccc(C[C@@H]2CC3(CO2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000257338038 564055722 /nfs/dbraw/zinc/05/57/22/564055722.db2.gz YVNHQSWUMHSCRR-HXUWFJFHSA-N 1 0 340.442 3.835 40 0 EHABRO c1cc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)cs1 ZINC000306138286 564062353 /nfs/dbraw/zinc/06/23/53/564062353.db2.gz RUEIFCZMGVIEFB-ZWKOTPCHSA-N 1 0 335.476 3.916 40 0 EHABRO CC[C@@H](C)Nc1cc(N2CCc3cc(OC)ccc3C2)nc(C)[nH+]1 ZINC000328964109 564070987 /nfs/dbraw/zinc/07/09/87/564070987.db2.gz BTCNUEGJIFRFBQ-CYBMUJFWSA-N 1 0 326.444 3.567 40 0 EHABRO Cc1cc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc(C)c1Cl ZINC000006500863 564112435 /nfs/dbraw/zinc/11/24/35/564112435.db2.gz JBTIUGTZKQNVSH-SFHVURJKSA-N 1 0 345.870 3.755 40 0 EHABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000095534895 564141652 /nfs/dbraw/zinc/14/16/52/564141652.db2.gz OHVLQCUMMZJVQF-CQSZACIVSA-N 1 0 332.329 3.733 40 0 EHABRO CCOC(=O)[C@H]1CCC[NH2+][C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000167442655 1120215389 /nfs/dbraw/zinc/21/53/89/1120215389.db2.gz LHPXBYPQNSPNGL-HOTGVXAUSA-N 1 0 348.443 3.637 40 0 EHABRO C[N@@H+]1CC[C@H]2[C@H](C1)c1ccccc1N2C(=O)c1cc2ccccc2o1 ZINC000252444382 1128959986 /nfs/dbraw/zinc/95/99/86/1128959986.db2.gz OKNPEAZTEBJDNZ-AEFFLSMTSA-N 1 0 332.403 3.881 40 0 EHABRO O=C1C(c2ccccc2)N(c2ccccc2)C(=O)[C@H]1C[NH+]1CCCC1 ZINC000104269453 219368604 /nfs/dbraw/zinc/36/86/04/219368604.db2.gz OFEASNCDEQSCSK-SFHVURJKSA-N 1 0 334.419 3.672 40 0 EHABRO C[NH+](C)CCN1c2ccccc2S[C@H](c2ccccc2)CC1=O ZINC000002015879 209811295 /nfs/dbraw/zinc/81/12/95/209811295.db2.gz QJJXOEFWXSQISU-SFHVURJKSA-N 1 0 326.465 3.818 40 0 in-man EHABRO CSc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462674 212802993 /nfs/dbraw/zinc/80/29/93/212802993.db2.gz WXJZFNXVXLBLCJ-UHFFFAOYSA-N 1 0 340.492 3.934 40 0 EHABRO O=C(OCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072202920 216068962 /nfs/dbraw/zinc/06/89/62/216068962.db2.gz VFZJDZYBHCPUPC-UHFFFAOYSA-N 1 0 345.389 3.920 40 0 EHABRO O=C(OCc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072202919 216069119 /nfs/dbraw/zinc/06/91/19/216069119.db2.gz WJKNNTIIIZOBGQ-QGZVFWFLSA-N 1 0 345.389 3.920 40 0 EHABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000030858053 212713236 /nfs/dbraw/zinc/71/32/36/212713236.db2.gz BGQWIIYERKKPGT-IBGZPJMESA-N 1 0 346.515 3.843 40 0 EHABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072379049 216180572 /nfs/dbraw/zinc/18/05/72/216180572.db2.gz LUEXEJXCAKTYOJ-SFHVURJKSA-N 1 0 333.439 3.562 40 0 EHABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072379062 216181962 /nfs/dbraw/zinc/18/19/62/216181962.db2.gz YYIVOVXIFDUAJS-GOSISDBHSA-N 1 0 333.439 3.562 40 0 EHABRO COc1ccc2cc(CN(CC[NH+](C)C)Cc3cccnc3)ccc2c1 ZINC000022931613 212336657 /nfs/dbraw/zinc/33/66/57/212336657.db2.gz FCKFOIOFFGKXFS-UHFFFAOYSA-N 1 0 349.478 3.807 40 0 EHABRO Cc1cccc2[nH]c(C(=O)N3CCC[C@@H]4[N@H+](C)CCC[C@@]43C)cc21 ZINC000257221090 244186033 /nfs/dbraw/zinc/18/60/33/244186033.db2.gz DNKPNMNCWXKHBW-ICSRJNTNSA-N 1 0 325.456 3.565 40 0 EHABRO O=C(C1CCCCC1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257238700 244236032 /nfs/dbraw/zinc/23/60/32/244236032.db2.gz HMCYKYOCMHGZJW-IBGZPJMESA-N 1 0 342.483 3.511 40 0 EHABRO CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@@H+]2Cc1cccnc1 ZINC000257239921 244239163 /nfs/dbraw/zinc/23/91/63/244239163.db2.gz HRJLFTSAGQWOSL-FDFHNCONSA-N 1 0 349.478 3.798 40 0 EHABRO Cc1nc([C@@H]2CCCC[NH2+]2)nc2c1CCCN2CCc1ccccc1 ZINC000257241169 244245017 /nfs/dbraw/zinc/24/50/17/244245017.db2.gz HWXAYCNYZUWFGU-IBGZPJMESA-N 1 0 336.483 3.595 40 0 EHABRO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000020041782 212097099 /nfs/dbraw/zinc/09/70/99/212097099.db2.gz ZACLFWBUOYVFJD-GPMSIDNRSA-N 1 0 346.515 3.555 40 0 EHABRO Cc1nccc([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257267221 244364327 /nfs/dbraw/zinc/36/43/27/244364327.db2.gz MGLCVMFBXGWVGC-AWEZNQCLSA-N 1 0 339.468 3.616 40 0 EHABRO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000257271557 244380308 /nfs/dbraw/zinc/38/03/08/244380308.db2.gz MYUVDHKCRDHDGV-MRXNPFEDSA-N 1 0 331.423 3.749 40 0 EHABRO CC(C)n1nccc1-c1nccnc1CC1CC[NH+](C(C)C)CC1 ZINC000257291094 244433562 /nfs/dbraw/zinc/43/35/62/244433562.db2.gz QFPRXYQQICFQHU-UHFFFAOYSA-N 1 0 327.476 3.584 40 0 EHABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1 ZINC000019719500 212057478 /nfs/dbraw/zinc/05/74/78/212057478.db2.gz XTNNLDVMCJLURD-HXUWFJFHSA-N 1 0 349.482 3.842 40 0 EHABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)C1CCC1 ZINC000019589124 212048929 /nfs/dbraw/zinc/04/89/29/212048929.db2.gz XPYDCNWGHRGBCJ-VAMGGRTRSA-N 1 0 326.484 3.656 40 0 EHABRO CCOc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019533169 212039326 /nfs/dbraw/zinc/03/93/26/212039326.db2.gz ROQQVDAQRUJYPO-VQTJNVASSA-N 1 0 329.415 3.839 40 0 EHABRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC ZINC000019532159 212039070 /nfs/dbraw/zinc/03/90/70/212039070.db2.gz MGNASISVXXFLQL-FUHWJXTLSA-N 1 0 344.455 3.891 40 0 EHABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3ncccc3[nH]c2C2CCOCC2)C1 ZINC000019462598 212031360 /nfs/dbraw/zinc/03/13/60/212031360.db2.gz DCLFVORTPWNOBH-GASCZTMLSA-N 1 0 327.472 3.935 40 0 EHABRO c1cc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cs1 ZINC000019405958 212025757 /nfs/dbraw/zinc/02/57/57/212025757.db2.gz CZRZXUXEABVMDE-UHFFFAOYSA-N 1 0 326.425 3.573 40 0 EHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnc(C)nc2)cc1 ZINC000019287287 212010398 /nfs/dbraw/zinc/01/03/98/212010398.db2.gz VODOIXKHYYPKKX-CGXNFDGLSA-N 1 0 337.467 3.856 40 0 EHABRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc(OC)c1 ZINC000012366523 211356907 /nfs/dbraw/zinc/35/69/07/211356907.db2.gz NOOLGMDIFQAOLX-HNAYVOBHSA-N 1 0 330.428 3.501 40 0 EHABRO Cc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000012292447 211335026 /nfs/dbraw/zinc/33/50/26/211335026.db2.gz ZRRPVURWJGIBTN-LJQANCHMSA-N 1 0 345.870 3.665 40 0 EHABRO Cc1cc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C)c1Cl ZINC000012169950 211310529 /nfs/dbraw/zinc/31/05/29/211310529.db2.gz LTOMHKXZZHIXOP-DVOMOZLQSA-N 1 0 325.880 3.674 40 0 EHABRO Cc1cc(-c2cnc(N[C@H](C)C[NH+](C)C)nc2-c2cccs2)on1 ZINC000012155755 211309550 /nfs/dbraw/zinc/30/95/50/211309550.db2.gz WDBYYQLTHGZMFE-GFCCVEGCSA-N 1 0 343.456 3.531 40 0 EHABRO CC(C)c1ncc(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012220548 211322678 /nfs/dbraw/zinc/32/26/78/211322678.db2.gz WUQQHNYHEMRQBR-FQEVSTJZSA-N 1 0 343.446 3.613 40 0 EHABRO C[NH+](C)C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934885 221206050 /nfs/dbraw/zinc/20/60/50/221206050.db2.gz JZXWQNLDFVFNTR-CTCCYDHESA-N 1 0 345.527 3.667 40 0 EHABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccs2)nc1 ZINC000257225899 536020587 /nfs/dbraw/zinc/02/05/87/536020587.db2.gz FIHBGEBPEAKFPI-XSFOEPMVSA-N 1 0 341.480 3.582 40 0 EHABRO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225900876 536482469 /nfs/dbraw/zinc/48/24/69/536482469.db2.gz UYUQARMWOOHKCZ-IBGZPJMESA-N 1 0 340.442 3.696 40 0 EHABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH2+]CC3)[C@H](C)O[C@H]21 ZINC000257220749 536959565 /nfs/dbraw/zinc/95/95/65/536959565.db2.gz DLZJVCYQFSAHIN-JLJPHGGASA-N 1 0 331.456 3.702 40 0 EHABRO OCCOc1ccc([C@@H](Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000001666335 563400958 /nfs/dbraw/zinc/40/09/58/563400958.db2.gz BLAICGSFYIQXJO-OAQYLSRUSA-N 1 0 325.452 3.827 40 0 EHABRO CCC[NH+](CCC)CC(=O)c1ccc(I)cc1 ZINC000001706279 563405441 /nfs/dbraw/zinc/40/54/41/563405441.db2.gz ROYBQBXWVHKJOJ-UHFFFAOYSA-N 1 0 345.224 3.596 40 0 EHABRO C[NH+](C)Cc1ccccc1COC(=O)c1ccc(Br)cc1 ZINC000001716140 563406456 /nfs/dbraw/zinc/40/64/56/563406456.db2.gz GHBSZTNHSXFJOQ-UHFFFAOYSA-N 1 0 348.240 3.868 40 0 EHABRO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008327057 563627182 /nfs/dbraw/zinc/62/71/82/563627182.db2.gz JNOIPIRSHBYVQA-QGZVFWFLSA-N 1 0 337.822 3.919 40 0 EHABRO CC(C)(C)CC(=O)N1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019082694 563853513 /nfs/dbraw/zinc/85/35/13/563853513.db2.gz YVNPEFYLVMWVIM-QWFCFKBJSA-N 1 0 328.500 3.949 40 0 EHABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccccc1 ZINC000019238584 563855515 /nfs/dbraw/zinc/85/55/15/563855515.db2.gz FTMPDPNYWMEJIE-UHFFFAOYSA-N 1 0 344.524 3.781 40 0 EHABRO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039757919 563901106 /nfs/dbraw/zinc/90/11/06/563901106.db2.gz JSTQYTFOZCTQKV-UHFFFAOYSA-N 1 0 340.442 3.663 40 0 EHABRO Cc1ccsc1C[N@H+](CC1=Cc2ccccc2OC1)C[C@H](C)O ZINC000057810257 563935885 /nfs/dbraw/zinc/93/58/85/563935885.db2.gz IFEKMLXIAIBTJG-HNNXBMFYSA-N 1 0 329.465 3.715 40 0 EHABRO Cc1cc([C@@H](O)C[NH+]2CCN(c3ccccc3C)CC2)c(C)s1 ZINC000057822901 563936102 /nfs/dbraw/zinc/93/61/02/563936102.db2.gz RHPJYIKHBVYERZ-IBGZPJMESA-N 1 0 330.497 3.529 40 0 EHABRO O=C(NCCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000057985124 563936143 /nfs/dbraw/zinc/93/61/43/563936143.db2.gz MYEMVWHPCXERAO-UHFFFAOYSA-N 1 0 342.870 3.908 40 0 EHABRO Fc1cccc(Cn2c3ccccc3nc2OC[C@@H]2CCC[NH2+]C2)c1 ZINC000091355991 563975320 /nfs/dbraw/zinc/97/53/20/563975320.db2.gz LLZARQSIYBRYJM-MRXNPFEDSA-N 1 0 339.414 3.602 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)s1 ZINC000096047778 563978296 /nfs/dbraw/zinc/97/82/96/563978296.db2.gz MMBRXBWGXZKXHO-KRWDZBQOSA-N 1 0 328.481 3.990 40 0 EHABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057060 563978836 /nfs/dbraw/zinc/97/88/36/563978836.db2.gz NAOJBTKWWLSQQV-IEBWSBKVSA-N 1 0 344.480 3.593 40 0 EHABRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000096061325 563978921 /nfs/dbraw/zinc/97/89/21/563978921.db2.gz CNBCKRZAHQUQRW-GOSISDBHSA-N 1 0 340.492 3.729 40 0 EHABRO Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)n1 ZINC000096111034 563979306 /nfs/dbraw/zinc/97/93/06/563979306.db2.gz QZJIZPYIBLRTLI-CTNGQTDRSA-N 1 0 337.467 3.604 40 0 EHABRO O=C(CC1CC1)N1CCC2(CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096158411 563979753 /nfs/dbraw/zinc/97/97/53/563979753.db2.gz GMSYPOXNQSORBG-UHFFFAOYSA-N 1 0 344.474 3.830 40 0 EHABRO CCc1ccc(C[NH+]2CCC3(CN(c4ccccc4)C3=O)CC2)cc1 ZINC000096202922 563980147 /nfs/dbraw/zinc/98/01/47/563980147.db2.gz XIEAOEHSWGGHMR-UHFFFAOYSA-N 1 0 334.463 3.878 40 0 EHABRO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](CC(C)C)C1 ZINC000096244673 563980586 /nfs/dbraw/zinc/98/05/86/563980586.db2.gz HSJRCWURDTYYFZ-NRFANRHFSA-N 1 0 337.467 3.582 40 0 EHABRO C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585288800 563981924 /nfs/dbraw/zinc/98/19/24/563981924.db2.gz JKOMYTUEBLAZAR-XUVXKRRUSA-N 1 0 347.405 3.758 40 0 EHABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@H+](CC1CCCC1)C2 ZINC000108527117 563984296 /nfs/dbraw/zinc/98/42/96/563984296.db2.gz GYKSRAGTFGLAPU-FUHWJXTLSA-N 1 0 340.458 3.583 40 0 EHABRO Cc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000007636278 564015743 /nfs/dbraw/zinc/01/57/43/564015743.db2.gz MQVKTXKYDWFPRQ-OAQYLSRUSA-N 1 0 339.479 3.689 40 0 EHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSC(C)(C)C)CC2)cc1 ZINC000009063132 564016636 /nfs/dbraw/zinc/01/66/36/564016636.db2.gz UIUVFBWOTURXPX-UHFFFAOYSA-N 1 0 348.556 3.855 40 0 EHABRO O=C(c1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000138792763 564024052 /nfs/dbraw/zinc/02/40/52/564024052.db2.gz ONAFYSXUZBYFOI-JSXRDJHFSA-N 1 0 336.479 3.722 40 0 EHABRO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4n3C)C2)cc1 ZINC000049171210 564032677 /nfs/dbraw/zinc/03/26/77/564032677.db2.gz XJDFPKZLLFEWLX-KRWDZBQOSA-N 1 0 348.450 3.521 40 0 biogenic,in-vitro EHABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000005630925 564032872 /nfs/dbraw/zinc/03/28/72/564032872.db2.gz GPXNHBGCMKQUQP-LRDDRELGSA-N 1 0 341.282 3.988 40 0 EHABRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000224801837 564043731 /nfs/dbraw/zinc/04/37/31/564043731.db2.gz NDFJYWMTFTZELZ-UHFFFAOYSA-N 1 0 338.451 3.529 40 0 EHABRO CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)[N@@H+]2Cc1cccnc1 ZINC000257299245 564055020 /nfs/dbraw/zinc/05/50/20/564055020.db2.gz RPGSDKHSRXNFME-FDFHNCONSA-N 1 0 349.478 3.798 40 0 EHABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257298708 564055038 /nfs/dbraw/zinc/05/50/38/564055038.db2.gz RMYTYYNKQYSGKM-MRXNPFEDSA-N 1 0 325.441 3.574 40 0 EHABRO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006061043 564074328 /nfs/dbraw/zinc/07/43/28/564074328.db2.gz GMUWNBGBPFJGJI-HXUWFJFHSA-N 1 0 343.442 3.520 40 0 EHABRO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039750344 213242573 /nfs/dbraw/zinc/24/25/73/213242573.db2.gz UVVCHYWBJCXJPN-UHFFFAOYSA-N 1 0 348.368 3.955 40 0 EHABRO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000035290363 213018149 /nfs/dbraw/zinc/01/81/49/213018149.db2.gz HGMTUYOZXFBEMP-ZNXRZULTSA-N 1 0 329.513 3.829 40 0 EHABRO COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2CCS3)cc1 ZINC000032611746 212818833 /nfs/dbraw/zinc/81/88/33/212818833.db2.gz XTVDAQZEQNVUBI-UHFFFAOYSA-N 1 0 339.440 3.555 40 0 EHABRO Fc1ccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000072359068 216165636 /nfs/dbraw/zinc/16/56/36/216165636.db2.gz VNZSWVXACYKPOQ-INIZCTEOSA-N 1 0 341.430 3.641 40 0 EHABRO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000072360430 216167132 /nfs/dbraw/zinc/16/71/32/216167132.db2.gz SEYXROIXSZDNRW-LJQANCHMSA-N 1 0 329.488 3.538 40 0 EHABRO Cc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378676 216181863 /nfs/dbraw/zinc/18/18/63/216181863.db2.gz AAHQNUFKVVZHHW-FQEVSTJZSA-N 1 0 347.466 3.740 40 0 EHABRO c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)c1 ZINC000073335292 216379143 /nfs/dbraw/zinc/37/91/43/216379143.db2.gz RCFGNZPVCJDRMX-KURKYZTESA-N 1 0 339.439 3.757 40 0 EHABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000022533477 212305794 /nfs/dbraw/zinc/30/57/94/212305794.db2.gz BKHHYLNBPAUVPD-LJQANCHMSA-N 1 0 332.488 3.535 40 0 EHABRO C[NH+]1CCN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)CC1 ZINC000216799493 241212537 /nfs/dbraw/zinc/21/25/37/241212537.db2.gz QFMBRAZMYFQMMW-UHFFFAOYSA-N 1 0 341.842 3.896 40 0 EHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(Cl)cc2)C1 ZINC000225726812 242004836 /nfs/dbraw/zinc/00/48/36/242004836.db2.gz ZTLCLIFAWUDICC-KBPBESRZSA-N 1 0 339.936 3.994 40 0 EHABRO Cc1cccc(C[N@@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257219809 244182286 /nfs/dbraw/zinc/18/22/86/244182286.db2.gz DIGITLOTTSMHNS-IBGZPJMESA-N 1 0 347.462 3.629 40 0 EHABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257243303 244250416 /nfs/dbraw/zinc/25/04/16/244250416.db2.gz IGHOZLTVQJJVNT-HNNXBMFYSA-N 1 0 325.460 3.687 40 0 EHABRO CCOc1ccc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)cc1CO ZINC000257241814 244244414 /nfs/dbraw/zinc/24/44/14/244244414.db2.gz HZSNBDRMFUDUQA-FQEVSTJZSA-N 1 0 340.467 3.570 40 0 EHABRO CC[N@H+](C)[C@H]1CN(C(=O)CCc2ccccc2)C2(C1)CCCCC2 ZINC000257264876 244358602 /nfs/dbraw/zinc/35/86/02/244358602.db2.gz LWILLEPVGBKBPW-LJQANCHMSA-N 1 0 328.500 3.875 40 0 EHABRO CCCn1nc(C)c(-c2cncn2CCC[NH+]2CCCCC2)c1C ZINC000019654590 212053104 /nfs/dbraw/zinc/05/31/04/212053104.db2.gz CXHFNUKZQHUZHF-UHFFFAOYSA-N 1 0 329.492 3.649 40 0 EHABRO CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019523829 212037620 /nfs/dbraw/zinc/03/76/20/212037620.db2.gz KPHAJNHLYCUKJS-KRWDZBQOSA-N 1 0 337.471 3.776 40 0 EHABRO CCc1cc(C(=O)Nc2ccccc2C[NH+]2CCCCCC2)n(C)n1 ZINC000019522173 212037080 /nfs/dbraw/zinc/03/70/80/212037080.db2.gz QAFCPKUEJUYJHW-UHFFFAOYSA-N 1 0 340.471 3.611 40 0 EHABRO Cc1ccc2c(CC(=O)N3CCCC[C@H]3C[NH+]3CCCC3)coc2c1 ZINC000012346176 211354457 /nfs/dbraw/zinc/35/44/57/211354457.db2.gz WQAMDCXDBXPLBO-SFHVURJKSA-N 1 0 340.467 3.761 40 0 EHABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012292227 211334535 /nfs/dbraw/zinc/33/45/35/211334535.db2.gz INWXRHLFMUADII-OAQYLSRUSA-N 1 0 339.479 3.629 40 0 EHABRO COc1c(C)cccc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012240688 211328494 /nfs/dbraw/zinc/32/84/94/211328494.db2.gz LPTVPXXWCHGQRK-UHFFFAOYSA-N 1 0 329.415 3.626 40 0 EHABRO FC(F)c1cc([C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129158 211300282 /nfs/dbraw/zinc/30/02/82/211300282.db2.gz WAMANDOOFHKRSW-VNQPRFMTSA-N 1 0 347.409 3.567 40 0 EHABRO Cc1ccsc1C[N@@H+]1CCC[C@H](n2c(=O)oc3ccccc32)C1 ZINC000012119177 211297082 /nfs/dbraw/zinc/29/70/82/211297082.db2.gz DJFIOMPWARTBOP-AWEZNQCLSA-N 1 0 328.437 3.802 40 0 EHABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000009970721 211138138 /nfs/dbraw/zinc/13/81/38/211138138.db2.gz HFYVOEARROQXFB-GPQLQYNLSA-N 1 0 343.511 3.637 40 0 EHABRO Cc1cccc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)c1 ZINC000096261190 218730522 /nfs/dbraw/zinc/73/05/22/218730522.db2.gz DMTULVBMHFNWGE-OAQYLSRUSA-N 1 0 348.490 3.976 40 0 EHABRO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2ccccc2s1 ZINC000004968540 210343626 /nfs/dbraw/zinc/34/36/26/210343626.db2.gz JKVTUCJVUFIQFC-UHFFFAOYSA-N 1 0 331.466 3.566 40 0 EHABRO O=C(C[NH2+]CC1CCCCC1)Nc1ccccc1N1CCCCC1 ZINC000004896581 210314111 /nfs/dbraw/zinc/31/41/11/210314111.db2.gz OQWJKICWCADCEK-UHFFFAOYSA-N 1 0 329.488 3.785 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)C1CCCCC1 ZINC000001593603 563395052 /nfs/dbraw/zinc/39/50/52/563395052.db2.gz XPKGNQQIWJCGHZ-WOJBJXKFSA-N 1 0 347.499 3.596 40 0 EHABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)C1CCCCC1 ZINC000001593604 563395089 /nfs/dbraw/zinc/39/50/89/563395089.db2.gz XPKGNQQIWJCGHZ-PMACEKPBSA-N 1 0 347.499 3.596 40 0 EHABRO OC1(c2cccnc2F)CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000013267691 563693424 /nfs/dbraw/zinc/69/34/24/563693424.db2.gz INMZOGOPTCTSAL-UHFFFAOYSA-N 1 0 336.410 3.858 40 0 EHABRO COc1cc2ccccc2cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000017813175 563845445 /nfs/dbraw/zinc/84/54/45/563845445.db2.gz KBGMBUDOPKQVAF-UHFFFAOYSA-N 1 0 340.467 3.700 40 0 EHABRO CC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019020947 563853213 /nfs/dbraw/zinc/85/32/13/563853213.db2.gz JKYKYUTUCJTLSC-IRXDYDNUSA-N 1 0 335.517 3.613 40 0 EHABRO O[C@H](C[NH+](Cc1ccccc1)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000031946873 563913165 /nfs/dbraw/zinc/91/31/65/563913165.db2.gz UCNCUQNDNPWJTI-DHIUTWEWSA-N 1 0 347.458 3.956 40 0 EHABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(Cl)c2)C1 ZINC000044080856 563926128 /nfs/dbraw/zinc/92/61/28/563926128.db2.gz ZABKVAUWRWODAL-CYBMUJFWSA-N 1 0 325.909 3.748 40 0 EHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 ZINC000044932114 563928338 /nfs/dbraw/zinc/92/83/38/563928338.db2.gz DAAJWWJAWBMEKC-MRXNPFEDSA-N 1 0 340.442 3.988 40 0 EHABRO Cc1nn2c(nc(C)c(C)c2NCCC[NH+](C)C)c1-c1ccccc1 ZINC000072341700 563966422 /nfs/dbraw/zinc/96/64/22/563966422.db2.gz IRRSPBXMVGHXOD-UHFFFAOYSA-N 1 0 337.471 3.685 40 0 EHABRO c1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)cs1 ZINC000096046946 563978075 /nfs/dbraw/zinc/97/80/75/563978075.db2.gz DLEDZNHLVRZYAZ-LJQANCHMSA-N 1 0 327.497 3.631 40 0 EHABRO O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096046554 563978137 /nfs/dbraw/zinc/97/81/37/563978137.db2.gz PGPVDNFPSKZDRV-UHFFFAOYSA-N 1 0 346.521 3.938 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)o1 ZINC000096047855 563978339 /nfs/dbraw/zinc/97/83/39/563978339.db2.gz IPDHQLFIKCMQCU-HXUWFJFHSA-N 1 0 341.451 3.928 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)s1 ZINC000096050722 563978534 /nfs/dbraw/zinc/97/85/34/563978534.db2.gz VSUPQPCWFZIBMZ-LJQANCHMSA-N 1 0 344.455 3.825 40 0 EHABRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cccs3)C2)C1=O ZINC000096100295 563979157 /nfs/dbraw/zinc/97/91/57/563979157.db2.gz UCGNYNHORXRBME-FQEVSTJZSA-N 1 0 340.492 3.894 40 0 EHABRO Cc1ncsc1C[N@@H+]1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 ZINC000096111051 563979349 /nfs/dbraw/zinc/97/93/49/563979349.db2.gz BBCDVQIFEHINME-APWZRJJASA-N 1 0 343.496 3.665 40 0 EHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)C4CCC4)C3)CC2)cc1 ZINC000096157625 563979783 /nfs/dbraw/zinc/97/97/83/563979783.db2.gz QSRPIUOFAFRAFT-UHFFFAOYSA-N 1 0 326.484 3.610 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)o1 ZINC000096215721 563980202 /nfs/dbraw/zinc/98/02/02/563980202.db2.gz BGGZDTMDHVZJEW-SFHVURJKSA-N 1 0 331.485 3.533 40 0 EHABRO O=C(c1ccccc1)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC000096239484 563980472 /nfs/dbraw/zinc/98/04/72/563980472.db2.gz CBPXQZJJQSJXEX-NRFANRHFSA-N 1 0 338.426 3.706 40 0 EHABRO CC(C)C(=O)N1C[C@H]2[C@H](C[N@@H+]2CC(c2ccccc2)c2ccccc2)C1 ZINC000107249320 563984024 /nfs/dbraw/zinc/98/40/24/563984024.db2.gz ZMBLHFXFTKSPET-IRLDBZIGSA-N 1 0 348.490 3.617 40 0 EHABRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000107746902 563984146 /nfs/dbraw/zinc/98/41/46/563984146.db2.gz MYTKXKSDQRWZNI-AEFFLSMTSA-N 1 0 346.471 3.533 40 0 EHABRO Cc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540309 564017427 /nfs/dbraw/zinc/01/74/27/564017427.db2.gz SWUFKLKMPNJUKW-KRWDZBQOSA-N 1 0 334.529 3.714 40 0 EHABRO COc1ccc(C[N@@H+](Cc2ccsc2)C[C@@H]2CCCO2)cc1OC ZINC000013994143 564020777 /nfs/dbraw/zinc/02/07/77/564020777.db2.gz WLDHFABTRDLEOI-KRWDZBQOSA-N 1 0 347.480 3.947 40 0 EHABRO COc1ccc(CN(CCC[NH+](C)C)Cc2ccccn2)c(C)c1C ZINC000013990779 564020798 /nfs/dbraw/zinc/02/07/98/564020798.db2.gz ZIWOWNUUVGIKLY-UHFFFAOYSA-N 1 0 341.499 3.661 40 0 EHABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000225587213 564048045 /nfs/dbraw/zinc/04/80/45/564048045.db2.gz CZFMYIYRYRZQES-UHFFFAOYSA-N 1 0 344.377 3.688 40 0 EHABRO CC(C)[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1O2 ZINC000248148885 564053030 /nfs/dbraw/zinc/05/30/30/564053030.db2.gz FZPTWIGDTLGMOE-NJAFHUGGSA-N 1 0 342.483 3.525 40 0 EHABRO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1nc(C)cc(-c2ncc[nH]2)n1 ZINC000257285189 564054725 /nfs/dbraw/zinc/05/47/25/564054725.db2.gz PGACOXLTAONUNL-HNNXBMFYSA-N 1 0 339.468 3.882 40 0 EHABRO Cc1cccc(CNc2cc(-c3c[nH]nc3[C@H]3CC[N@@H+](C)C3)ccn2)c1 ZINC000257298219 564055057 /nfs/dbraw/zinc/05/50/57/564055057.db2.gz RKRHBTHEBAIVNL-SFHVURJKSA-N 1 0 347.466 3.811 40 0 EHABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1ccc2ccccc2n1 ZINC000257304651 564055153 /nfs/dbraw/zinc/05/51/53/564055153.db2.gz SMNVMHRDGXOAQA-FPOVZHCZSA-N 1 0 337.467 3.714 40 0 EHABRO Clc1ccc(C[C@@H]2CC3(CO2)CC[NH+](C2CCOCC2)CC3)cc1 ZINC000257340851 564055767 /nfs/dbraw/zinc/05/57/67/564055767.db2.gz ZHTKJTDFRPOHCE-LJQANCHMSA-N 1 0 349.902 3.933 40 0 EHABRO C[NH+](C)CCCN1c2ccccc2[S@@](=O)c2ccc(Cl)cc21 ZINC000001758739 564081641 /nfs/dbraw/zinc/08/16/41/564081641.db2.gz QEPPAOXKZOTMPM-QFIPXVFZSA-N 1 0 334.872 3.910 40 0 in-vitro EHABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000248197133 564124550 /nfs/dbraw/zinc/12/45/50/564124550.db2.gz QVXKEBHZHCZKIR-NXHRZFHOSA-N 1 0 341.499 3.986 40 0 EHABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCCC[NH+]1CCCCC1 ZINC000010276861 564127714 /nfs/dbraw/zinc/12/77/14/564127714.db2.gz LPSLXMMLDUIPJI-SOFGYWHQSA-N 1 0 341.282 3.999 40 0 EHABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2C ZINC000019713721 564128116 /nfs/dbraw/zinc/12/81/16/564128116.db2.gz MKTUUZPYYPPTSN-FTJPNVMPSA-N 1 0 326.484 3.955 40 0 EHABRO c1ccc(CO[C@@H]2CCCC[C@H]2[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714649 564150386 /nfs/dbraw/zinc/15/03/86/564150386.db2.gz KHCKVAHSJRUZNI-PLACYPQZSA-N 1 0 328.500 3.731 40 0 EHABRO CN1CCC([NH2+][C@H]2C[C@@H](Cc3cc(C(C)(C)C)on3)C2(C)C)CC1 ZINC000067889818 215242178 /nfs/dbraw/zinc/24/21/78/215242178.db2.gz YYJYEXRPKMXGLN-PBHICJAKSA-N 1 0 333.520 3.613 40 0 biogenic,in-vitro EHABRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000040465777 213309618 /nfs/dbraw/zinc/30/96/18/213309618.db2.gz ISJUYFBACBKWBV-HZPDHXFCSA-N 1 0 343.298 3.867 40 0 EHABRO CC[NH+](CC)CCCOCCCNc1cc(OC)cc2cccnc21 ZINC000001591916 209763309 /nfs/dbraw/zinc/76/33/09/209763309.db2.gz KRXVITOUUBOWOP-UHFFFAOYSA-N 1 0 345.487 3.794 40 0 EHABRO COc1cc(NCCCCC[NH2+]C(C)C)c2ncccc2c1OC ZINC000001599091 209765563 /nfs/dbraw/zinc/76/55/63/209765563.db2.gz NGROEXLGPYHMOT-UHFFFAOYSA-N 1 0 331.460 3.832 40 0 EHABRO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038852377 213228489 /nfs/dbraw/zinc/22/84/89/213228489.db2.gz DXXCBRPEZACFEF-FQEVSTJZSA-N 1 0 326.484 3.905 40 0 EHABRO O=C(Nc1ccc(F)cc1F)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038853580 213227912 /nfs/dbraw/zinc/22/79/12/213227912.db2.gz MNMDSFHBKYRPJC-AWEZNQCLSA-N 1 0 348.368 3.955 40 0 EHABRO [NH3+]Cc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000036720756 213113326 /nfs/dbraw/zinc/11/33/26/213113326.db2.gz OQFWOBCPEZRCBG-UHFFFAOYSA-N 1 0 348.402 3.955 40 0 EHABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccc4F)C3)nc2c1 ZINC000035446757 213028485 /nfs/dbraw/zinc/02/84/85/213028485.db2.gz DLRXSBDSHBIJFK-AWEZNQCLSA-N 1 0 325.387 3.700 40 0 biogenic,in-vitro EHABRO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1C ZINC000035312303 213019361 /nfs/dbraw/zinc/01/93/61/213019361.db2.gz HSPYFAMWMVBZOG-ZXFUBFMLSA-N 1 0 329.513 3.748 40 0 EHABRO c1cn(-c2cccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)cn1 ZINC000072378697 216180589 /nfs/dbraw/zinc/18/05/89/216180589.db2.gz JGNYCHDWSLBWFY-IBGZPJMESA-N 1 0 332.451 3.689 40 0 EHABRO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072379066 216181031 /nfs/dbraw/zinc/18/10/31/216181031.db2.gz GQGPIJRMKWJHAL-SFHVURJKSA-N 1 0 347.466 3.604 40 0 EHABRO Cc1ncc(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)n1C ZINC000257244214 244253778 /nfs/dbraw/zinc/25/37/78/244253778.db2.gz IKJZQXFMFDVYEH-SFHVURJKSA-N 1 0 347.466 3.565 40 0 EHABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000257250126 244268845 /nfs/dbraw/zinc/26/88/45/244268845.db2.gz JLDDWYQOUZGCSA-OAHLLOKOSA-N 1 0 349.413 3.888 40 0 EHABRO CC[N@H+](C)[C@H]1CN(C(=O)Cc2ccc(F)cc2)C2(C1)CCCCC2 ZINC000257250686 244268991 /nfs/dbraw/zinc/26/89/91/244268991.db2.gz JNNRMYHROIPIBF-GOSISDBHSA-N 1 0 332.463 3.624 40 0 EHABRO Cc1ncc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719809 212057597 /nfs/dbraw/zinc/05/75/97/212057597.db2.gz FFODLXNFERIEFX-AWEZNQCLSA-N 1 0 326.469 3.783 40 0 EHABRO CCCn1nc(C)c(-c2cncn2CC[N@H+](C)C2CCCC2)c1C ZINC000019654614 212053415 /nfs/dbraw/zinc/05/34/15/212053415.db2.gz NQWWYOQKYMZQKD-UHFFFAOYSA-N 1 0 329.492 3.648 40 0 EHABRO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc(-c2cccnc2)[nH]1 ZINC000019372024 212023376 /nfs/dbraw/zinc/02/33/76/212023376.db2.gz CEECWEDLPKUQKC-IBGZPJMESA-N 1 0 346.434 3.559 40 0 EHABRO c1ccc([C@H]2CCC[N@@H+](Cc3ccnc(-c4ccncc4)n3)C2)cc1 ZINC000019369958 212023447 /nfs/dbraw/zinc/02/34/47/212023447.db2.gz FAPXUJBGSISSIZ-IBGZPJMESA-N 1 0 330.435 3.918 40 0 EHABRO O[C@@H](c1ccccc1)[C@H](NCC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000019366032 212023239 /nfs/dbraw/zinc/02/32/39/212023239.db2.gz SGOMBIGJIMEQGI-PKTZIBPZSA-N 1 0 346.474 3.841 40 0 EHABRO O=C(CSCc1cccc(Cl)c1)NCCC[NH+]1CCCCC1 ZINC000013646092 211598763 /nfs/dbraw/zinc/59/87/63/211598763.db2.gz DGXLDOXJTPZFSJ-UHFFFAOYSA-N 1 0 340.920 3.565 40 0 EHABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047592 218534972 /nfs/dbraw/zinc/53/49/72/218534972.db2.gz XWDSOENHFAHJIU-WOJBJXKFSA-N 1 0 344.405 3.810 40 0 EHABRO C[NH2+]CCCNCc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000004999728 210355238 /nfs/dbraw/zinc/35/52/38/210355238.db2.gz VILBCWKFYXLOSX-UHFFFAOYSA-N 1 0 337.261 3.717 40 0 EHABRO Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004882610 210311013 /nfs/dbraw/zinc/31/10/13/210311013.db2.gz IWTLRSSLLIATCL-ZNXRZULTSA-N 1 0 327.472 3.973 40 0 EHABRO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004857025 210302887 /nfs/dbraw/zinc/30/28/87/210302887.db2.gz GBBIMNGBCCUNIR-ZXFUBFMLSA-N 1 0 329.513 3.829 40 0 EHABRO CCCCC(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000005946081 257867059 /nfs/dbraw/zinc/86/70/59/257867059.db2.gz JUIMFEMSWKISIO-UHFFFAOYSA-N 1 0 333.501 3.676 40 0 EHABRO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CC1(CCCCC1)C2=O ZINC000000000722 563211396 /nfs/dbraw/zinc/21/13/96/563211396.db2.gz YLBMSIZZTJEEIO-OAHLLOKOSA-N 1 0 345.483 3.504 40 0 in-man EHABRO CCOc1ccc(NC(=O)c2ccc[n+](CCc3ccccc3)c2)cc1 ZINC000001845592 563414287 /nfs/dbraw/zinc/41/42/87/563414287.db2.gz URIMFQCZUAAIHG-UHFFFAOYSA-O 1 0 347.438 3.868 40 0 EHABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000005670642 563544841 /nfs/dbraw/zinc/54/48/41/563544841.db2.gz GPXNHBGCMKQUQP-MLGOLLRUSA-N 1 0 341.282 3.988 40 0 EHABRO C[NH+](C)CCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699950 563611163 /nfs/dbraw/zinc/61/11/63/563611163.db2.gz IXWZHPCFUCLWGH-UHFFFAOYSA-N 1 0 346.858 3.601 40 0 EHABRO C[C@@H](SCc1ccccc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000013648321 563706714 /nfs/dbraw/zinc/70/67/14/563706714.db2.gz KLVXHUDDSSGSOX-QGZVFWFLSA-N 1 0 334.529 3.547 40 0 EHABRO Cc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024617676 563873499 /nfs/dbraw/zinc/87/34/99/563873499.db2.gz OPLDEHSLLXYAOG-UHFFFAOYSA-N 1 0 336.479 3.840 40 0 EHABRO Cc1ccc(C)c(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000044140384 563926229 /nfs/dbraw/zinc/92/62/29/563926229.db2.gz NDFWUXXKZPBEIV-IYBDPMFKSA-N 1 0 333.545 3.958 40 0 EHABRO C[NH+](C)CCCN(Cc1ccco1)Cc1c[nH]nc1-c1ccccc1 ZINC000057810878 563935969 /nfs/dbraw/zinc/93/59/69/563935969.db2.gz QUGXBWBZUYNPBX-UHFFFAOYSA-N 1 0 338.455 3.624 40 0 EHABRO Cc1ccccc1C[NH+]1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000585104977 563971594 /nfs/dbraw/zinc/97/15/94/563971594.db2.gz NAAVZNNGUPJADJ-IBGZPJMESA-N 1 0 340.492 3.667 40 0 EHABRO Cc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000585104979 563971596 /nfs/dbraw/zinc/97/15/96/563971596.db2.gz NAAVZNNGUPJADJ-LJQANCHMSA-N 1 0 340.492 3.667 40 0 EHABRO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096047010 563978151 /nfs/dbraw/zinc/97/81/51/563978151.db2.gz GBMJCGVQJYYSIH-SFHVURJKSA-N 1 0 346.521 3.938 40 0 EHABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccsc3)C[C@@H]12 ZINC000096058451 563978816 /nfs/dbraw/zinc/97/88/16/563978816.db2.gz PFZHTKMXLGYDMR-WOJBJXKFSA-N 1 0 340.492 3.513 40 0 EHABRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)CN1c1cccc(F)c1 ZINC000096077946 563979040 /nfs/dbraw/zinc/97/90/40/563979040.db2.gz XGTRKMPODUOQGY-HXUWFJFHSA-N 1 0 342.389 3.594 40 0 EHABRO Fc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1 ZINC000096215380 563980216 /nfs/dbraw/zinc/98/02/16/563980216.db2.gz PILUPQWQDXMALZ-OAQYLSRUSA-N 1 0 346.490 3.540 40 0 EHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ccc(C)nn2)C3)s1 ZINC000096216979 563980349 /nfs/dbraw/zinc/98/03/49/563980349.db2.gz XHPBHEZKMZQDTG-IBGZPJMESA-N 1 0 342.512 3.647 40 0 EHABRO CCO[C@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)c2ccc(C)cc21 ZINC000096241838 563980569 /nfs/dbraw/zinc/98/05/69/563980569.db2.gz MSHGQDJNNMWQBM-FQEVSTJZSA-N 1 0 339.483 3.744 40 0 EHABRO CC(C)C(=O)N1C[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000096244861 563980574 /nfs/dbraw/zinc/98/05/74/563980574.db2.gz ZMBLHFXFTKSPET-RBBKRZOGSA-N 1 0 348.490 3.617 40 0 EHABRO CC[C@@H](C)[N@@H+]1CCc2nc(-c3cccc(F)c3)nc(N(C)C)c2C1 ZINC000096254096 563980606 /nfs/dbraw/zinc/98/06/06/563980606.db2.gz BBXUTXAYQHOZGO-CYBMUJFWSA-N 1 0 328.435 3.505 40 0 EHABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000585283510 563981846 /nfs/dbraw/zinc/98/18/46/563981846.db2.gz BHSYTRUDTNPIHD-IPMKNSEASA-N 1 0 349.833 3.930 40 0 EHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCc3ccc(F)cc3)[C@H]2O)c1 ZINC000585288898 563981997 /nfs/dbraw/zinc/98/19/97/563981997.db2.gz LBVGBDNNSYEIFH-PWRODBHTSA-N 1 0 343.442 3.627 40 0 EHABRO CCCCN(C(=O)/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000001884552 564003620 /nfs/dbraw/zinc/00/36/20/564003620.db2.gz DCWKRBUZLUVFGF-WVONQPJCSA-N 1 0 326.484 3.954 40 0 EHABRO COc1ccc([C@H]2CC(N)=[NH+]N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000222547858 564036922 /nfs/dbraw/zinc/03/69/22/564036922.db2.gz GITZRHCRSCYTKB-OAHLLOKOSA-N 1 0 335.329 3.938 40 0 EHABRO O=C(Cc1ccc(F)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224699061 564043531 /nfs/dbraw/zinc/04/35/31/564043531.db2.gz ZITKZVFEQOEXRZ-UHFFFAOYSA-N 1 0 340.442 3.671 40 0 EHABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225698699 564049500 /nfs/dbraw/zinc/04/95/00/564049500.db2.gz VHFKLPOJPNWHAC-LJQANCHMSA-N 1 0 336.476 3.551 40 0 EHABRO CC(C)[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1O2 ZINC000248148892 564053046 /nfs/dbraw/zinc/05/30/46/564053046.db2.gz FZPTWIGDTLGMOE-NXHRZFHOSA-N 1 0 342.483 3.525 40 0 EHABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257285320 564054758 /nfs/dbraw/zinc/05/47/58/564054758.db2.gz PGPPJZUOMGJJAF-IBGZPJMESA-N 1 0 347.466 3.565 40 0 EHABRO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257309971 564055252 /nfs/dbraw/zinc/05/52/52/564055252.db2.gz UDDFRLMVRUHYPT-KRWDZBQOSA-N 1 0 333.439 3.555 40 0 EHABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 ZINC000257331263 564055565 /nfs/dbraw/zinc/05/55/65/564055565.db2.gz XSBKWEDIQTTXMB-FBRRREGBSA-N 1 0 335.451 3.520 40 0 EHABRO Cc1ccc(C[N@@H+]2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)s1 ZINC000306143339 564062407 /nfs/dbraw/zinc/06/24/07/564062407.db2.gz XZQWBHARQRYLHK-DOTOQJQBSA-N 1 0 336.464 3.544 40 0 EHABRO O=C(c1cccc(Cl)c1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238871339 564120102 /nfs/dbraw/zinc/12/01/02/564120102.db2.gz MZEMRADOUXMHGI-IBGZPJMESA-N 1 0 340.854 3.613 40 0 EHABRO O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000212374765 564177296 /nfs/dbraw/zinc/17/72/96/564177296.db2.gz LNOPAJNGRAPFKZ-UHFFFAOYSA-N 1 0 329.488 3.531 40 0 EHABRO