smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCc1ccccc1Cl ZINC000008325912 209774486 /nfs/dbraw/zinc/77/44/86/209774486.db2.gz XGJPOLJEFFJEEX-CQSZACIVSA-N 1 0 382.331 5.859 40 0 GKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001707530 212254479 /nfs/dbraw/zinc/25/44/79/212254479.db2.gz UEZKINHQOOWWMD-VWLOTQADSA-N 1 0 376.544 5.837 40 0 GKABRO O[C@@](CCC[NH+]1CCCCC1)(c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000001701749 212253694 /nfs/dbraw/zinc/25/36/94/212253694.db2.gz NTSNHSIFEUHAEF-NRFANRHFSA-N 1 0 377.450 5.207 40 0 GKABRO Cc1ccc(C[N@H+]2CC=C(c3nc4cc(Br)ccc4o3)CC2)cc1 ZINC000226251093 209188364 /nfs/dbraw/zinc/18/83/64/209188364.db2.gz DCTWPWFGNSPNHY-UHFFFAOYSA-N 1 0 383.289 5.188 40 0 GKABRO C[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000000829478 212186616 /nfs/dbraw/zinc/18/66/16/212186616.db2.gz NTQGEZJOMVFLMK-PAWHMVCQSA-N 1 0 375.487 5.468 40 0 GKABRO O=C(Nc1nc(-c2ccccc2)c(C[NH+]2CCCCCC2)s1)c1ccccc1 ZINC000028297029 209179367 /nfs/dbraw/zinc/17/93/67/209179367.db2.gz VPPYKHUXJYOXEH-UHFFFAOYSA-N 1 0 391.540 5.438 40 0 GKABRO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373169 212041450 /nfs/dbraw/zinc/04/14/50/212041450.db2.gz MVLLDHPXMNTRHD-QHCPKHFHSA-N 1 0 395.587 5.239 40 0 GKABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000216827447 203785033 /nfs/dbraw/zinc/78/50/33/203785033.db2.gz VMQPITGEQCTENP-HUUCEWRRSA-N 1 0 399.332 6.020 40 0 GKABRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)nc2c1[C@@H](c1ccccc1)C(C)(C)O2 ZINC000001708600 203918138 /nfs/dbraw/zinc/91/81/38/203918138.db2.gz YDGXKUDVQSMUDF-DYESRHJHSA-N 1 0 396.579 5.010 40 0 GKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@H+]2C[C@H](C)CC[C@@H]12 ZINC000002572094 203949270 /nfs/dbraw/zinc/94/92/70/203949270.db2.gz JVKYZPBMZPJNAJ-MEPOCMDBSA-N 1 0 397.647 5.655 40 0 GKABRO CC(C)[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004176982 204030694 /nfs/dbraw/zinc/03/06/94/204030694.db2.gz KLOBRRLODJPCDR-FICKONGGSA-N 1 0 385.551 5.708 40 0 GKABRO C[C@H](COc1ccccc1)[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000004214178 204032346 /nfs/dbraw/zinc/03/23/46/204032346.db2.gz NHXOILLCRMVISV-OAQYLSRUSA-N 1 0 375.512 5.192 40 0 in-man GKABRO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004785653 204076225 /nfs/dbraw/zinc/07/62/25/204076225.db2.gz XYXSWNLJRUZOJN-DZDPFUOBSA-N 1 0 385.551 5.660 40 0 GKABRO CCC[C@]1(O)C[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000004844924 204081949 /nfs/dbraw/zinc/08/19/49/204081949.db2.gz JNMBOTCAWAEZQM-CXTHYWKRSA-N 1 0 378.343 5.936 40 0 GKABRO CCC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555384 204053539 /nfs/dbraw/zinc/05/35/39/204053539.db2.gz DWMBLMXBAOMOLC-HVWQDESWSA-N 1 0 385.551 5.852 40 0 GKABRO CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc([C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000004692092 204064200 /nfs/dbraw/zinc/06/42/00/204064200.db2.gz AUPQNYPRSQVHKG-GSDHBNRESA-N 1 0 395.587 5.902 40 0 GKABRO C[NH+]1CCC(S[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000005722411 204149066 /nfs/dbraw/zinc/14/90/66/204149066.db2.gz JZNJGOKDPVHBAX-HXUWFJFHSA-N 1 0 375.990 5.916 40 0 GKABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(Br)c2ccccc21 ZINC000005973434 204159475 /nfs/dbraw/zinc/15/94/75/204159475.db2.gz VMVNLFRCKRQDEX-HXUWFJFHSA-N 1 0 378.354 5.538 40 0 GKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1cccc(Cl)c1 ZINC000006857376 204216645 /nfs/dbraw/zinc/21/66/45/204216645.db2.gz GQWVTVDZUIGTDN-UHFFFAOYSA-N 1 0 389.967 6.232 40 0 GKABRO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000007261013 204237285 /nfs/dbraw/zinc/23/72/85/204237285.db2.gz ONFCWNTUENLEJQ-UHFFFAOYSA-N 1 0 396.358 6.251 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000007260974 204237735 /nfs/dbraw/zinc/23/77/35/204237735.db2.gz XYZFIOJSIYVWIP-UHFFFAOYSA-N 1 0 379.903 5.737 40 0 GKABRO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000007261266 204237849 /nfs/dbraw/zinc/23/78/49/204237849.db2.gz HITBHWAAIHLIIV-UHFFFAOYSA-N 1 0 386.750 6.506 40 0 GKABRO CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccccc1 ZINC000008254043 204267803 /nfs/dbraw/zinc/26/78/03/204267803.db2.gz QEWRYGNTWYYQMX-UHFFFAOYSA-N 1 0 392.337 5.172 40 0 GKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccc(F)cc1 ZINC000008471615 204276922 /nfs/dbraw/zinc/27/69/22/204276922.db2.gz LPMZGAVOTUQHFA-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO COc1ccc(CC[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000008474281 204277962 /nfs/dbraw/zinc/27/79/62/204277962.db2.gz YMKWLWNXTRJCIT-UHFFFAOYSA-N 1 0 397.518 5.760 40 0 GKABRO C[C@H]([NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000008534281 204279129 /nfs/dbraw/zinc/27/91/29/204279129.db2.gz YVFDXHMSEUOPDR-INIZCTEOSA-N 1 0 386.322 6.423 40 0 GKABRO C[C@]12CC3CC([NH2+]Cc4ccc(OCc5ccccc5)cc4)(C1)C[C@@](C)(C3)C2 ZINC000008534528 204279314 /nfs/dbraw/zinc/27/93/14/204279314.db2.gz QBICVKIPMOZHCT-GEVPFPAESA-N 1 0 375.556 6.104 40 0 GKABRO Cc1c(C[NH2+]CCOc2ccc(-c3ccccc3)cc2)c2ccc(C)cc2n1C ZINC000257228736 212007449 /nfs/dbraw/zinc/00/74/49/212007449.db2.gz FVACFBIZKZILDD-UHFFFAOYSA-N 1 0 384.523 5.631 40 0 GKABRO COc1ccc(C2([NH2+]Cc3ccccc3OCc3ccccn3)CCCC2)cc1 ZINC000019553802 204654226 /nfs/dbraw/zinc/65/42/26/204654226.db2.gz AEELBEAXYLNURE-UHFFFAOYSA-N 1 0 388.511 5.228 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccccc1Cl ZINC000022074427 204774790 /nfs/dbraw/zinc/77/47/90/204774790.db2.gz PWRRHHJCBBYABR-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(OC)c(C)c1 ZINC000225197056 211887702 /nfs/dbraw/zinc/88/77/02/211887702.db2.gz STYJHYXZZONBDV-QHCPKHFHSA-N 1 0 394.559 5.261 40 0 GKABRO Cc1ccc([C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)cc1 ZINC000038756213 205038893 /nfs/dbraw/zinc/03/88/93/205038893.db2.gz GFYUULBMSZCSDC-SANMLTNESA-N 1 0 398.550 5.500 40 0 GKABRO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH2+]C)cc1)c1ccc(O)cc1 ZINC000044699470 205085876 /nfs/dbraw/zinc/08/58/76/205085876.db2.gz JYBJJTCUEOUMEV-IZHYLOQSSA-N 1 0 389.495 5.065 40 0 in-vitro GKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000044857222 205087503 /nfs/dbraw/zinc/08/75/03/205087503.db2.gz AGUKVLCVTXTMDA-LGUFXXKBSA-N 1 0 396.534 5.139 40 0 GKABRO CC1(C)C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c2ccccc2O1 ZINC000044918603 205091327 /nfs/dbraw/zinc/09/13/27/205091327.db2.gz CIQRYSFJHFDSFC-JOCHJYFZSA-N 1 0 392.543 5.095 40 0 GKABRO Clc1ccc(Cc2cccc(C3CC[NH+](Cc4ccccn4)CC3)n2)cc1 ZINC000072348958 205330052 /nfs/dbraw/zinc/33/00/52/205330052.db2.gz HRGQYSQKTCMGCZ-UHFFFAOYSA-N 1 0 377.919 5.100 40 0 GKABRO COc1cccc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)[nH+]2)c1 ZINC000072372503 205337107 /nfs/dbraw/zinc/33/71/07/205337107.db2.gz PYTRENZGWMOUQV-OAQYLSRUSA-N 1 0 394.544 5.244 40 0 GKABRO CC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000008227152 205823103 /nfs/dbraw/zinc/82/31/03/205823103.db2.gz DQNIFLNLVVPUKR-UHFFFAOYSA-N 1 0 398.728 5.190 40 0 GKABRO CCOc1ccc([C@@](O)(CC)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000026958649 206008067 /nfs/dbraw/zinc/00/80/67/206008067.db2.gz WOPMYOLMSOGKRS-RPBOFIJWSA-N 1 0 381.560 5.343 40 0 GKABRO CCCC[C@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000027241219 206010176 /nfs/dbraw/zinc/01/01/76/206010176.db2.gz WHIRZSPIYFHYSW-RPWUZVMVSA-N 1 0 385.979 5.988 40 0 GKABRO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C ZINC000223458710 206001358 /nfs/dbraw/zinc/00/13/58/206001358.db2.gz RMNZCVXRWUGKOL-NRFANRHFSA-N 1 0 378.560 5.335 40 0 GKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000224807711 206029736 /nfs/dbraw/zinc/02/97/36/206029736.db2.gz NYTSZLDXTKQOLK-UHFFFAOYSA-N 1 0 384.523 5.270 40 0 GKABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225504036 206052721 /nfs/dbraw/zinc/05/27/21/206052721.db2.gz BMABQYUKIHDOCM-UHFFFAOYSA-N 1 0 392.543 5.002 40 0 GKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCCCC2)c1 ZINC000225540035 206055267 /nfs/dbraw/zinc/05/52/67/206055267.db2.gz MZBOHRXLQOYAJK-UHFFFAOYSA-N 1 0 394.559 5.166 40 0 GKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225745472 206072946 /nfs/dbraw/zinc/07/29/46/206072946.db2.gz ZQDJMRQBBUURLH-QHCPKHFHSA-N 1 0 392.584 5.111 40 0 GKABRO CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(C[NH2+]C3CCCC3)cc12 ZINC000257276491 206172089 /nfs/dbraw/zinc/17/20/89/206172089.db2.gz NTZLBNXJEYZBMN-UHFFFAOYSA-N 1 0 382.939 5.404 40 0 GKABRO O=C(C[C@H](c1ccccc1)[NH+]1CCCCC1)OC1c2ccccc2-c2ccccc21 ZINC000001569391 206385504 /nfs/dbraw/zinc/38/55/04/206385504.db2.gz VKODTKYYIBSZID-RUZDIDTESA-N 1 0 397.518 5.917 40 0 GKABRO O[C@@H](c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000001567977 206385828 /nfs/dbraw/zinc/38/58/28/206385828.db2.gz ALUZCFMOHFZLKV-RXVVDRJESA-N 1 0 387.310 5.384 40 0 GKABRO COc1cc(N[C@@H](C)CCC[NH3+])c2nc(C)ccc2c1Oc1ccc(F)cc1 ZINC000001568079 206386314 /nfs/dbraw/zinc/38/63/14/206386314.db2.gz DCVAXQLEGOZNEJ-AWEZNQCLSA-N 1 0 383.467 5.023 40 0 GKABRO C[NH+](C)Cc1ccccc1C(=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001632688 206386698 /nfs/dbraw/zinc/38/66/98/206386698.db2.gz XEVIEUCMRVWHEZ-UHFFFAOYSA-N 1 0 389.542 6.756 40 0 GKABRO CCCC[NH+](CCCC)CCCNc1c2cccc(OC)c2nc2c1CCCC2 ZINC000001683247 206390011 /nfs/dbraw/zinc/39/00/11/206390011.db2.gz POUSHEJKJSINNT-UHFFFAOYSA-N 1 0 397.607 5.826 40 0 GKABRO CC[NH+](CC)CCC(=O)c1ccc(Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000001717574 206390639 /nfs/dbraw/zinc/39/06/39/206390639.db2.gz ZCRNSARLPNNCIH-UHFFFAOYSA-N 1 0 381.907 5.546 40 0 GKABRO Cc1cccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cccc4ncccc34)n2)n1 ZINC000072375735 211106028 /nfs/dbraw/zinc/10/60/28/211106028.db2.gz CHKOCDUSIZMTBR-QHCPKHFHSA-N 1 0 395.510 5.414 40 0 GKABRO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000072357722 211098969 /nfs/dbraw/zinc/09/89/69/211098969.db2.gz PWLGPCIMFGIJQW-QFIPXVFZSA-N 1 0 397.444 5.423 40 0 GKABRO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000072357671 211098799 /nfs/dbraw/zinc/09/87/99/211098799.db2.gz WMWSLPKHIYTCRD-QFIPXVFZSA-N 1 0 397.444 5.423 40 0 GKABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3cccc(OC)c3)n2)cc1 ZINC000072357532 211098645 /nfs/dbraw/zinc/09/86/45/211098645.db2.gz YOMDHWZRVOPJEB-RUZDIDTESA-N 1 0 388.511 5.027 40 0 GKABRO O=C(Nc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038849820 207562280 /nfs/dbraw/zinc/56/22/80/207562280.db2.gz PAEDIXPGTWHIQN-UHFFFAOYSA-N 1 0 376.422 5.334 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)c1 ZINC000044917172 207645751 /nfs/dbraw/zinc/64/57/51/207645751.db2.gz AAHZXUXBWPTPBV-UHFFFAOYSA-N 1 0 392.543 5.167 40 0 GKABRO Cc1cccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3cccc4ncccc34)n2)n1 ZINC000072375736 208009737 /nfs/dbraw/zinc/00/97/37/208009737.db2.gz CHKOCDUSIZMTBR-HSZRJFAPSA-N 1 0 395.510 5.414 40 0 GKABRO c1csc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cccc4ncccc34)n2)n1 ZINC000072375739 208010168 /nfs/dbraw/zinc/01/01/68/208010168.db2.gz OBXXRQMJWOKCIB-HXUWFJFHSA-N 1 0 387.512 5.167 40 0 GKABRO c1ccc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cccc4ncccc34)n2)nc1 ZINC000072375734 208010526 /nfs/dbraw/zinc/01/05/26/208010526.db2.gz INJAGXWEBNCIAY-JOCHJYFZSA-N 1 0 381.483 5.106 40 0 GKABRO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)c1 ZINC000072380359 208012620 /nfs/dbraw/zinc/01/26/20/208012620.db2.gz HHVDPUWVJFSVOA-HXUWFJFHSA-N 1 0 386.474 5.144 40 0 GKABRO CCOc1cc(C[NH2+]CC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689128 208149410 /nfs/dbraw/zinc/14/94/10/208149410.db2.gz LZJKXOBTLLDQLC-UHFFFAOYSA-N 1 0 396.358 6.107 40 0 GKABRO Cc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)s1 ZINC000019691917 210282444 /nfs/dbraw/zinc/28/24/44/210282444.db2.gz SNONUFCCQHKNOP-QFIPXVFZSA-N 1 0 381.520 5.222 40 0 GKABRO Cc1c(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)cnn1C ZINC000019690882 210281510 /nfs/dbraw/zinc/28/15/10/210281510.db2.gz OVPWPNODHQUBCO-QHCPKHFHSA-N 1 0 394.950 5.013 40 0 GKABRO CCOc1ccc(Br)cc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008324590 208726052 /nfs/dbraw/zinc/72/60/52/208726052.db2.gz IILXPNXRPUIWSV-HILYYZTDSA-N 1 0 392.381 5.542 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223068815 208891334 /nfs/dbraw/zinc/89/13/34/208891334.db2.gz QEQDFPUNHPYEQB-DEOSSOPVSA-N 1 0 376.544 5.042 40 0 GKABRO C[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000004375773 220713092 /nfs/dbraw/zinc/71/30/92/220713092.db2.gz FTGMSKYZJVDEFA-NWDWJUPMSA-N 1 0 389.514 5.714 40 0 GKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCCC2)cc1 ZINC000007523389 221000432 /nfs/dbraw/zinc/00/04/32/221000432.db2.gz GGZRABBVXPYTNM-UHFFFAOYSA-N 1 0 392.370 6.775 40 0 GKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCCc1ccccc1 ZINC000007540064 221001059 /nfs/dbraw/zinc/00/10/59/221001059.db2.gz HUUDWMAHPBYUPW-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO COc1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1Cl ZINC000007539664 221001486 /nfs/dbraw/zinc/00/14/86/221001486.db2.gz KGTAKCVYDJARKL-UHFFFAOYSA-N 1 0 380.875 5.422 40 0 GKABRO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1Cl ZINC000008254711 221033090 /nfs/dbraw/zinc/03/30/90/221033090.db2.gz WOPDKFDZIPYDLV-UHFFFAOYSA-N 1 0 381.903 5.608 40 0 GKABRO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008470192 221041860 /nfs/dbraw/zinc/04/18/60/221041860.db2.gz PCONOURHVIOCNI-UHFFFAOYSA-N 1 0 380.315 5.613 40 0 GKABRO COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000008535307 221043289 /nfs/dbraw/zinc/04/32/89/221043289.db2.gz NXGGMAMYLDTACV-LLVKDONJSA-N 1 0 399.126 5.071 40 0 GKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000008534252 221043388 /nfs/dbraw/zinc/04/33/88/221043388.db2.gz DGHMGMLVROPEJG-INIZCTEOSA-N 1 0 399.893 5.918 40 0 GKABRO CCN(CC)c1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008717379 221051903 /nfs/dbraw/zinc/05/19/03/221051903.db2.gz JDYAKPKTPSINDH-DFBJGRDBSA-N 1 0 395.591 5.496 40 0 GKABRO Cc1ccc(-c2cc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(Cl)cc3)[N@H+]4C)on2)cc1 ZINC000013532740 221272144 /nfs/dbraw/zinc/27/21/44/221272144.db2.gz AUXUFNHAVGIVDC-IKJKNFHUSA-N 1 0 392.930 6.037 40 0 in-vitro GKABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]CCc3ccc(-c4ccccc4)cc3)cc12 ZINC000013998908 221295658 /nfs/dbraw/zinc/29/56/58/221295658.db2.gz IVBFRWKENGADGL-UHFFFAOYSA-N 1 0 382.507 5.144 40 0 GKABRO Clc1ccccc1COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000016449879 221363972 /nfs/dbraw/zinc/36/39/72/221363972.db2.gz HJNSSXIBMSCWMJ-UHFFFAOYSA-N 1 0 390.914 5.733 40 0 GKABRO Fc1ccc(C[NH2+]Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000016525975 221365224 /nfs/dbraw/zinc/36/52/24/221365224.db2.gz FAOHKFDXPRKETD-UHFFFAOYSA-N 1 0 389.445 5.987 40 0 GKABRO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1CC1CCCCC1)c1ccccn1 ZINC000019081697 221396743 /nfs/dbraw/zinc/39/67/43/221396743.db2.gz OSGBAJHDRQKEEV-RBBKRZOGSA-N 1 0 385.596 5.110 40 0 GKABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2cc(F)cc(F)c2)on1 ZINC000019120467 221398123 /nfs/dbraw/zinc/39/81/23/221398123.db2.gz MTWYSBZOTPDARZ-WMZHIEFXSA-N 1 0 397.469 5.070 40 0 GKABRO COc1ccc(-c2cccc(C[NH2+][C@H](C)c3nc4ccccc4n3C(C)C)c2)cc1 ZINC000257308233 209072247 /nfs/dbraw/zinc/07/22/47/209072247.db2.gz TVXYUIPTCAZTCB-LJQANCHMSA-N 1 0 399.538 6.144 40 0 GKABRO CCc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718243 136153797 /nfs/dbraw/zinc/15/37/97/136153797.db2.gz HMBIPVPERAGJQZ-HDICACEKSA-N 1 0 389.543 5.185 40 0 GKABRO CCc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718252 136153927 /nfs/dbraw/zinc/15/39/27/136153927.db2.gz HMBIPVPERAGJQZ-ROUUACIJSA-N 1 0 389.543 5.185 40 0 GKABRO Cc1cc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718290 136153965 /nfs/dbraw/zinc/15/39/65/136153965.db2.gz JAKUALHFHAQFEJ-ROUUACIJSA-N 1 0 389.543 5.239 40 0 GKABRO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccc(F)c2)nc1 ZINC000257316492 209074291 /nfs/dbraw/zinc/07/42/91/209074291.db2.gz VFVYGQPCLVQUGQ-JOCHJYFZSA-N 1 0 376.479 5.052 40 0 GKABRO Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)c1 ZINC000022076522 221553032 /nfs/dbraw/zinc/55/30/32/221553032.db2.gz RVYSRDYXLZLPBI-UHFFFAOYSA-N 1 0 385.294 6.067 40 0 GKABRO CC1=C[C@@H](C[NH2+]Cc2ccco2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883544 221706685 /nfs/dbraw/zinc/70/66/85/221706685.db2.gz XRZBQTLRARZAON-BJLQDIEVSA-N 1 0 385.552 5.147 40 0 biogenic,in-vitro GKABRO CC(C)CCCCCCCCCCCCCCCCC[NH2+]Cc1ccccc1 ZINC000071791150 222198468 /nfs/dbraw/zinc/19/84/68/222198468.db2.gz INPYEZXVCLMZQS-UHFFFAOYSA-N 1 0 387.696 8.674 40 0 GKABRO OCc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)n2)cc1 ZINC000072350439 222238360 /nfs/dbraw/zinc/23/83/60/222238360.db2.gz LFOLNHIZYYGBDR-QHCPKHFHSA-N 1 0 397.522 5.102 40 0 GKABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3OC)n2)cc1 ZINC000072357535 222239205 /nfs/dbraw/zinc/23/92/05/222239205.db2.gz RZAVYUIVJGCCPJ-DEOSSOPVSA-N 1 0 388.511 5.027 40 0 GKABRO CC[NH+](CC)CCOc1ccc([C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000077287059 222277378 /nfs/dbraw/zinc/27/73/78/222277378.db2.gz QRDUUUZNVAYWOU-VWLOTQADSA-N 1 0 387.523 5.422 40 0 in-vitro GKABRO C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC/C(=C\[NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118929843 222523570 /nfs/dbraw/zinc/52/35/70/222523570.db2.gz WPOIDUGUNBOEGE-SYIWJBHDSA-N 1 0 385.636 6.150 40 0 GKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000408583033 534509444 /nfs/dbraw/zinc/50/94/44/534509444.db2.gz REDZTUPOEVBFIB-UHFFFAOYSA-N 1 0 382.470 5.611 40 0 GKABRO O=C(c1ccc(-c2ccccc2)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408613172 534680137 /nfs/dbraw/zinc/68/01/37/534680137.db2.gz XUDBCTPZGVQSMD-UHFFFAOYSA-N 1 0 396.534 5.017 40 0 GKABRO O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613714 534680626 /nfs/dbraw/zinc/68/06/26/534680626.db2.gz ZQAUXIMOVDQAMC-AREMUKBSSA-N 1 0 396.534 5.017 40 0 GKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000006949687 528192505 /nfs/dbraw/zinc/19/25/05/528192505.db2.gz YESGYJANSICHEQ-UHFFFAOYSA-N 1 0 395.728 5.197 40 0 GKABRO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000035446672 560079502 /nfs/dbraw/zinc/07/95/02/560079502.db2.gz AYEMYKCLAPEPES-ZDUSSCGKSA-N 1 0 379.813 5.225 40 0 biogenic,in-vitro GKABRO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000005163631 570245845 /nfs/dbraw/zinc/24/58/45/570245845.db2.gz BUZOOTVRWDNERF-OIBXWCBGSA-N 1 0 385.935 5.217 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)C1 ZINC000020457696 570259553 /nfs/dbraw/zinc/25/95/53/570259553.db2.gz IZYJQYICKHOROE-AWEZNQCLSA-N 1 0 377.315 5.478 40 0 GKABRO CC(C)[NH+](CCSC(=O)N1c2ccccc2Sc2cccnc21)C(C)C ZINC000001668965 570266679 /nfs/dbraw/zinc/26/66/79/570266679.db2.gz PZPFYZBVSSWUGH-UHFFFAOYSA-N 1 0 387.574 5.656 40 0 GKABRO C[NH+](C)[C@]1(Cc2ccccc2)c2ccccc2-c2ccc(Br)cc21 ZINC000001729979 570267680 /nfs/dbraw/zinc/26/76/80/570267680.db2.gz YATDANTVIIBGJV-JOCHJYFZSA-N 1 0 378.313 5.477 40 0 GKABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]CCc3ccc(-c4ccccc4)cc3)cc2c1 ZINC000013998905 570270954 /nfs/dbraw/zinc/27/09/54/570270954.db2.gz VWSLDQGUDBDOGN-UHFFFAOYSA-N 1 0 382.507 5.144 40 0 GKABRO CC1=C[C@@H](C)[C@@H](CN2CC[N@H+](C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677508 570291145 /nfs/dbraw/zinc/29/11/45/570291145.db2.gz VQHCAYWQEPUJSF-AZNQLJSZSA-N 1 0 386.668 6.063 40 0 GKABRO CC[C@@]1(C)C[C@](CC[NH2+][C@H](C)c2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000102761575 570292155 /nfs/dbraw/zinc/29/21/55/570292155.db2.gz OVJXVHHKPLUBEK-OIBXWCBGSA-N 1 0 380.016 6.782 40 0 GKABRO CC(C)C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000216202189 570297097 /nfs/dbraw/zinc/29/70/97/570297097.db2.gz OIMZMXHIXJJLCX-HYBUGGRVSA-N 1 0 378.560 5.436 40 0 GKABRO CC1CC[NH+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)CC1 ZINC000216827177 570302388 /nfs/dbraw/zinc/30/23/88/570302388.db2.gz YKOBFYLUAQDXNY-UHFFFAOYSA-N 1 0 385.305 5.489 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc(C)cc1 ZINC000022074733 570304779 /nfs/dbraw/zinc/30/47/79/570304779.db2.gz FYDBJZFWIIOVTE-UHFFFAOYSA-N 1 0 379.475 5.054 40 0 GKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccccc1 ZINC000022074462 570304933 /nfs/dbraw/zinc/30/49/33/570304933.db2.gz KFOVNIAXOOOASB-UHFFFAOYSA-N 1 0 379.475 5.136 40 0 GKABRO Clc1ccccc1COc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000022073758 570305018 /nfs/dbraw/zinc/30/50/18/570305018.db2.gz NBLBUVWHQCEGDJ-UHFFFAOYSA-N 1 0 381.947 5.977 40 0 GKABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215626 570313760 /nfs/dbraw/zinc/31/37/60/570313760.db2.gz JOSMZNDWXDHMTD-FQEVSTJZSA-N 1 0 387.568 5.559 40 0 GKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214762 570314759 /nfs/dbraw/zinc/31/47/59/570314759.db2.gz BOUPMTDMXODRII-LJQANCHMSA-N 1 0 375.557 5.560 40 0 GKABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214788 570314808 /nfs/dbraw/zinc/31/48/08/570314808.db2.gz LPEPAOKQGHIDIQ-HXUWFJFHSA-N 1 0 381.520 5.180 40 0 GKABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214787 570314818 /nfs/dbraw/zinc/31/48/18/570314818.db2.gz LPEPAOKQGHIDIQ-FQEVSTJZSA-N 1 0 381.520 5.180 40 0 GKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214583 570314835 /nfs/dbraw/zinc/31/48/35/570314835.db2.gz SASVGWMDBHJQCT-FQEVSTJZSA-N 1 0 389.584 5.806 40 0 GKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214564 570314871 /nfs/dbraw/zinc/31/48/71/570314871.db2.gz DFOFCASHPFRNFI-IBGZPJMESA-N 1 0 375.557 5.416 40 0 GKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214579 570315042 /nfs/dbraw/zinc/31/50/42/570315042.db2.gz CWPVSFMUIIDUAZ-LJQANCHMSA-N 1 0 375.557 5.415 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CCCC)cn1 ZINC000072215003 570315230 /nfs/dbraw/zinc/31/52/30/570315230.db2.gz JOHJGGCBHUFYAA-FQEVSTJZSA-N 1 0 389.584 5.950 40 0 GKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214940 570315318 /nfs/dbraw/zinc/31/53/18/570315318.db2.gz ZUPFSHORESGPBN-LJQANCHMSA-N 1 0 375.557 5.415 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC000072214997 570315385 /nfs/dbraw/zinc/31/53/85/570315385.db2.gz YDPCEZGLYMBEIH-LJQANCHMSA-N 1 0 375.557 5.560 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072215152 570315414 /nfs/dbraw/zinc/31/54/14/570315414.db2.gz FYSDTSBIVHZWDT-HKUYNNGSSA-N 1 0 375.557 5.557 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CCC ZINC000072215057 570315432 /nfs/dbraw/zinc/31/54/32/570315432.db2.gz QWEAJBZPRYPXDU-LJQANCHMSA-N 1 0 375.557 5.560 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072215124 570315482 /nfs/dbraw/zinc/31/54/82/570315482.db2.gz LOZVOYSKTWJCLY-PKOBYXMFSA-N 1 0 375.557 5.415 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072215042 570315528 /nfs/dbraw/zinc/31/55/28/570315528.db2.gz RUNNERZIWNVLAN-LJQANCHMSA-N 1 0 375.557 5.416 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072215121 570315540 /nfs/dbraw/zinc/31/55/40/570315540.db2.gz LOZVOYSKTWJCLY-MJGOQNOKSA-N 1 0 375.557 5.415 40 0 GKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215565 570315733 /nfs/dbraw/zinc/31/57/33/570315733.db2.gz TWSQQJRYFDCKQM-HXUWFJFHSA-N 1 0 387.568 5.559 40 0 GKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215525 570315816 /nfs/dbraw/zinc/31/58/16/570315816.db2.gz VZFJXPVPDITNJF-FQEVSTJZSA-N 1 0 387.568 5.559 40 0 GKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000072215372 570315824 /nfs/dbraw/zinc/31/58/24/570315824.db2.gz RVQVYOCXSALNIF-OAQYLSRUSA-N 1 0 393.531 5.323 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072215270 570315891 /nfs/dbraw/zinc/31/58/91/570315891.db2.gz USZZUPMZZKFOGZ-AZUAARDMSA-N 1 0 389.584 5.805 40 0 GKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215272 570315936 /nfs/dbraw/zinc/31/59/36/570315936.db2.gz IJIFHVIXKRFLBL-ICSRJNTNSA-N 1 0 389.584 5.949 40 0 GKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215526 570315971 /nfs/dbraw/zinc/31/59/71/570315971.db2.gz JPFZUPSGKWYRFV-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215742 570316443 /nfs/dbraw/zinc/31/64/43/570316443.db2.gz WYAUAIXFSUEJMM-FQEVSTJZSA-N 1 0 387.568 5.701 40 0 GKABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215743 570316518 /nfs/dbraw/zinc/31/65/18/570316518.db2.gz BDPAOGILRIQFMA-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215803 570316641 /nfs/dbraw/zinc/31/66/41/570316641.db2.gz HZIYZJAHEOFAPC-HXUWFJFHSA-N 1 0 381.520 5.702 40 0 GKABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215683 570316670 /nfs/dbraw/zinc/31/66/70/570316670.db2.gz UYCWZRUFZGHECH-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215862 570316831 /nfs/dbraw/zinc/31/68/31/570316831.db2.gz PJTGSHQJAQCPKE-FQEVSTJZSA-N 1 0 381.520 5.700 40 0 GKABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215868 570316844 /nfs/dbraw/zinc/31/68/44/570316844.db2.gz JTLCKSRNFBHGSP-NRFANRHFSA-N 1 0 395.547 6.092 40 0 GKABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215863 570316866 /nfs/dbraw/zinc/31/68/66/570316866.db2.gz QCTSQUDMJQLSRC-HXUWFJFHSA-N 1 0 381.520 5.702 40 0 GKABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215861 570316901 /nfs/dbraw/zinc/31/69/01/570316901.db2.gz PJTGSHQJAQCPKE-HXUWFJFHSA-N 1 0 381.520 5.700 40 0 GKABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215867 570316935 /nfs/dbraw/zinc/31/69/35/570316935.db2.gz JTLCKSRNFBHGSP-OAQYLSRUSA-N 1 0 395.547 6.092 40 0 GKABRO O=C(c1ccccc1)[C@H]([C@H](c1cccs1)[NH+]1CCCCC1)N1CCCCC1 ZINC000022454289 570317187 /nfs/dbraw/zinc/31/71/87/570317187.db2.gz RNVACNZJXVZXMZ-VXKWHMMOSA-N 1 0 382.573 5.013 40 0 GKABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1CC1CCCCC1 ZINC000585100673 570319721 /nfs/dbraw/zinc/31/97/21/570319721.db2.gz SFJAPDKALJHMGI-SANMLTNESA-N 1 0 394.603 5.103 40 0 GKABRO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc1 ZINC000585169580 570319904 /nfs/dbraw/zinc/31/99/04/570319904.db2.gz HLLSWNQLBVPWBK-HXUWFJFHSA-N 1 0 395.934 5.126 40 0 GKABRO CCCCC[N@@H+]1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262945 570320588 /nfs/dbraw/zinc/32/05/88/570320588.db2.gz QWEVBZOSENOEGF-KRWDZBQOSA-N 1 0 382.939 5.419 40 0 GKABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1)[C@@H](O)c1ccccc1 ZINC000022076853 570320706 /nfs/dbraw/zinc/32/07/06/570320706.db2.gz GBCZHEWAVTUHPW-RNODOKPDSA-N 1 0 376.283 5.465 40 0 GKABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1)[C@H](O)c1ccccc1 ZINC000022076857 570320995 /nfs/dbraw/zinc/32/09/95/570320995.db2.gz GBCZHEWAVTUHPW-RBZFPXEDSA-N 1 0 376.283 5.465 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCc3ccc(C(C)C)cc3)CC2)cc1 ZINC000219409596 570359281 /nfs/dbraw/zinc/35/92/81/570359281.db2.gz XSNUXPNNFWWAJU-UHFFFAOYSA-N 1 0 392.587 5.079 40 0 GKABRO COc1ccc(C[NH2+]Cc2cc3sccc3n2Cc2ccc(F)cc2)cc1 ZINC000057719332 570371387 /nfs/dbraw/zinc/37/13/87/570371387.db2.gz QKNCKRCLVXDFCI-UHFFFAOYSA-N 1 0 380.488 5.189 40 0 GKABRO CCCC[N@H+](CCC)CCCCCCCCCCN1CCCc2ccccc21 ZINC000004366808 570371557 /nfs/dbraw/zinc/37/15/57/570371557.db2.gz QGOCAPRQPHRULO-UHFFFAOYSA-N 1 0 386.668 7.072 40 0 GKABRO C[C@H]1[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000004375775 570372201 /nfs/dbraw/zinc/37/22/01/570372201.db2.gz FTGMSKYZJVDEFA-CWGXUGAXSA-N 1 0 389.514 5.714 40 0 GKABRO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004375786 570372249 /nfs/dbraw/zinc/37/22/49/570372249.db2.gz NTQGEZJOMVFLMK-XELASAAXSA-N 1 0 375.487 5.468 40 0 GKABRO CCC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004477950 570376848 /nfs/dbraw/zinc/37/68/48/570376848.db2.gz IBVUWOBSESRAEG-ZJSPYRCASA-N 1 0 389.514 5.906 40 0 GKABRO O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189817 570380410 /nfs/dbraw/zinc/38/04/10/570380410.db2.gz AKECUZCHSAGEFN-UHFFFAOYSA-N 1 0 398.550 5.121 40 0 GKABRO Cc1ccc(C(=O)[C@H]([C@@H](c2cccs2)[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000022026416 570385338 /nfs/dbraw/zinc/38/53/38/570385338.db2.gz YWCPBUMAUPBXFT-PKTZIBPZSA-N 1 0 396.600 5.321 40 0 GKABRO CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc([C@H](O)C[NH+]2CCCCC2)cc1 ZINC000004692090 570393857 /nfs/dbraw/zinc/39/38/57/570393857.db2.gz AUPQNYPRSQVHKG-KKUQBAQOSA-N 1 0 395.587 5.902 40 0 GKABRO CCCCCC(CCCCC)OC(=O)CC[NH+](CCCCC)CCCCC ZINC000004804316 570406395 /nfs/dbraw/zinc/40/63/95/570406395.db2.gz RXMTXCXGDQZZBT-UHFFFAOYSA-N 1 0 383.661 7.131 40 0 GKABRO Cc1ccc(C(=O)[C@@H]([C@H](c2cccs2)[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000019366805 570406502 /nfs/dbraw/zinc/40/65/02/570406502.db2.gz YWCPBUMAUPBXFT-XZOQPEGZSA-N 1 0 396.600 5.321 40 0 GKABRO Cc1ccc(C(=O)[C@@H]([C@@H](c2cccs2)[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000019366807 570406694 /nfs/dbraw/zinc/40/66/94/570406694.db2.gz YWCPBUMAUPBXFT-DHIUTWEWSA-N 1 0 396.600 5.321 40 0 GKABRO CCOc1ccc([C@@](O)(CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)Cc2ccccc2)cc1 ZINC000004934836 570418689 /nfs/dbraw/zinc/41/86/89/570418689.db2.gz BBZDVRBAVMFHAA-RZPFDVGOSA-N 1 0 393.571 5.028 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1ccc(Cl)c2ccccc21 ZINC000005523962 570444289 /nfs/dbraw/zinc/44/42/89/570444289.db2.gz QZDZABRTQCBFGB-XMMPIXPASA-N 1 0 390.011 6.989 40 0 GKABRO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039755007 570447843 /nfs/dbraw/zinc/44/78/43/570447843.db2.gz PDRJMMYJGIWFEX-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000035289759 570455316 /nfs/dbraw/zinc/45/53/16/570455316.db2.gz JIUUAPHQOIMPRN-FRIKZZABSA-N 1 0 395.522 5.150 40 0 GKABRO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)c1 ZINC000035289767 570455490 /nfs/dbraw/zinc/45/54/90/570455490.db2.gz YVQDWAHXKGQRCZ-FRIKZZABSA-N 1 0 397.563 5.006 40 0 GKABRO CC[NH+](CC)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000005794561 570456949 /nfs/dbraw/zinc/45/69/49/570456949.db2.gz ZRLBSXCOTYEKSH-UHFFFAOYSA-N 1 0 380.479 6.040 40 0 GKABRO Cc1ccc2oc(-c3cc(Br)c[n+](Cc4cccc(F)c4)c3)nc2c1 ZINC000226308139 570459358 /nfs/dbraw/zinc/45/93/58/570459358.db2.gz ONAPAUFCOXNPED-UHFFFAOYSA-N 1 0 398.255 5.041 40 0 GKABRO C[NH+](C)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000005848733 570459332 /nfs/dbraw/zinc/45/93/32/570459332.db2.gz WYGCOYQHBPYZLI-GOSISDBHSA-N 1 0 395.717 5.457 40 0 GKABRO Fc1cccc(C[n+]2cccc(-c3nc4cc(-c5ccccc5)ccc4o3)c2)c1 ZINC000226308251 570459392 /nfs/dbraw/zinc/45/93/92/570459392.db2.gz DXPDGUKEIJQMNC-UHFFFAOYSA-N 1 0 381.430 5.637 40 0 GKABRO Fc1ccccc1C[n+]1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 ZINC000226308009 570459440 /nfs/dbraw/zinc/45/94/40/570459440.db2.gz KGJXMFWGXJTMAB-UHFFFAOYSA-N 1 0 381.430 5.637 40 0 GKABRO CC(C)CC[NH+](CCC(C)C)C[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000005962621 570463403 /nfs/dbraw/zinc/46/34/03/570463403.db2.gz HURQNHBXXMWZBW-AREMUKBSSA-N 1 0 381.604 6.146 40 0 GKABRO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000035311819 570467189 /nfs/dbraw/zinc/46/71/89/570467189.db2.gz PKSWUHKYWXMXOX-FRIKZZABSA-N 1 0 393.600 5.176 40 0 GKABRO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1C ZINC000223470053 570468010 /nfs/dbraw/zinc/46/80/10/570468010.db2.gz VWUHJVSRCPWEQY-IBGZPJMESA-N 1 0 398.978 5.355 40 0 GKABRO Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C ZINC000223487789 570468214 /nfs/dbraw/zinc/46/82/14/570468214.db2.gz YTQKSPWJZPIAEK-TZIWHRDSSA-N 1 0 398.978 5.355 40 0 GKABRO CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2ncc1-c1ccccc1 ZINC000006382059 570478329 /nfs/dbraw/zinc/47/83/29/570478329.db2.gz PLCHDCWWUWAKPR-GOSISDBHSA-N 1 0 395.978 6.478 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(OC)c(C)c1 ZINC000223704136 570480158 /nfs/dbraw/zinc/48/01/58/570480158.db2.gz VXPGMYGOFZENSI-QHCPKHFHSA-N 1 0 394.559 5.117 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(OC)c(C)c1 ZINC000223704108 570480355 /nfs/dbraw/zinc/48/03/55/570480355.db2.gz VXPGMYGOFZENSI-HSZRJFAPSA-N 1 0 394.559 5.117 40 0 GKABRO O=C(C[C@@H](c1ccccc1)[NH+]1CCCCC1)OC1c2ccccc2-c2ccccc21 ZINC000006582082 570483916 /nfs/dbraw/zinc/48/39/16/570483916.db2.gz VKODTKYYIBSZID-VWLOTQADSA-N 1 0 397.518 5.917 40 0 GKABRO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000030751080 570494333 /nfs/dbraw/zinc/49/43/33/570494333.db2.gz JEBIOCSWBDFNND-DEOSSOPVSA-N 1 0 394.559 5.198 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000006857419 570496930 /nfs/dbraw/zinc/49/69/30/570496930.db2.gz MPSXZVSZWXNQJC-UHFFFAOYSA-N 1 0 394.386 6.877 40 0 GKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000030850301 570498249 /nfs/dbraw/zinc/49/82/49/570498249.db2.gz LDXOLASYSBEGKI-HXUWFJFHSA-N 1 0 392.587 5.707 40 0 GKABRO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OCC)c1 ZINC000007261030 570502049 /nfs/dbraw/zinc/50/20/49/570502049.db2.gz SXXDRXRINRWWTE-UHFFFAOYSA-N 1 0 375.940 5.988 40 0 GKABRO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000007261241 570502271 /nfs/dbraw/zinc/50/22/71/570502271.db2.gz WQMPGUFAQCTKSU-UHFFFAOYSA-N 1 0 396.358 6.251 40 0 GKABRO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000000873351 570503113 /nfs/dbraw/zinc/50/31/13/570503113.db2.gz WULNLAYBRJBGOU-UHFFFAOYSA-N 1 0 384.523 5.247 40 0 GKABRO Cc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000007525162 570507050 /nfs/dbraw/zinc/50/70/50/570507050.db2.gz BIKUMKYMXDMHLQ-UHFFFAOYSA-N 1 0 386.322 6.171 40 0 GKABRO CCOc1cccc(C[NH2+]CCc2ccc(OC)cc2)c1OCc1ccccc1 ZINC000007539427 570507814 /nfs/dbraw/zinc/50/78/14/570507814.db2.gz BJMXSXBERLENRI-UHFFFAOYSA-N 1 0 391.511 5.005 40 0 GKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)o1 ZINC000007538790 570508023 /nfs/dbraw/zinc/50/80/23/570508023.db2.gz WSAIBKASALTOJI-MDQWUCQQSA-N 1 0 383.963 6.747 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)C1 ZINC000224334647 570509729 /nfs/dbraw/zinc/50/97/29/570509729.db2.gz JNUIBWPBUUOAPB-FQEVSTJZSA-N 1 0 399.538 5.157 40 0 GKABRO CC(C)Sc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224686707 570524708 /nfs/dbraw/zinc/52/47/08/570524708.db2.gz XAFQGGJGBSSGTB-UHFFFAOYSA-N 1 0 382.573 5.103 40 0 GKABRO CC[C@@H](C)[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008325890 570527990 /nfs/dbraw/zinc/52/79/90/570527990.db2.gz ZNPVHMLJEAUETK-CYBMUJFWSA-N 1 0 396.300 5.064 40 0 GKABRO CCOc1cc(C[NH2+][C@H](C)CC)cc(Br)c1OCc1ccccc1 ZINC000008325888 570528030 /nfs/dbraw/zinc/52/80/30/570528030.db2.gz BFKCTZDJARSJFY-OAHLLOKOSA-N 1 0 392.337 5.315 40 0 GKABRO C[C@@H](COc1ccccc1)[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000033854766 570529751 /nfs/dbraw/zinc/52/97/51/570529751.db2.gz NHXOILLCRMVISV-NRFANRHFSA-N 1 0 375.512 5.192 40 0 in-man GKABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000008474471 570532446 /nfs/dbraw/zinc/53/24/46/570532446.db2.gz GWDHPWJWQLONOC-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO C[C@@H]([NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000008535340 570533303 /nfs/dbraw/zinc/53/33/03/570533303.db2.gz KOTUOYWTMPELMV-MRXNPFEDSA-N 1 0 386.322 6.423 40 0 GKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000008534248 570533360 /nfs/dbraw/zinc/53/33/60/570533360.db2.gz DCJLPZYXAAQPHT-INIZCTEOSA-N 1 0 399.893 5.918 40 0 GKABRO C[C@@H]([NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21)c1ccccc1 ZINC000008535299 570533464 /nfs/dbraw/zinc/53/34/64/570533464.db2.gz WCVMIZJDKKRQHE-LJQANCHMSA-N 1 0 385.482 6.409 40 0 GKABRO C[C@]12CC3CC([NH2+]Cc4cccc(OCc5ccccc5)c4)(C1)C[C@@](C)(C3)C2 ZINC000008534542 570533490 /nfs/dbraw/zinc/53/34/90/570533490.db2.gz PDHKPJXNEMXPEF-GEVPFPAESA-N 1 0 375.556 6.104 40 0 GKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008534231 570533546 /nfs/dbraw/zinc/53/35/46/570533546.db2.gz HKJADPZSPNBQAD-INIZCTEOSA-N 1 0 399.893 5.918 40 0 GKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 ZINC000008550141 570533925 /nfs/dbraw/zinc/53/39/25/570533925.db2.gz HXJQDAANSJRXBO-UHFFFAOYSA-N 1 0 379.475 5.054 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC000224879806 570535961 /nfs/dbraw/zinc/53/59/61/570535961.db2.gz GOVOQMPPNBOELM-OAHLLOKOSA-N 1 0 392.421 5.069 40 0 GKABRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010360446 570569896 /nfs/dbraw/zinc/56/98/96/570569896.db2.gz ZEQLVKUTVIRWLA-UHFFFAOYSA-N 1 0 382.813 5.207 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)C1 ZINC000038755070 570582283 /nfs/dbraw/zinc/58/22/83/570582283.db2.gz WCVBMQQPGAEYOP-OAHLLOKOSA-N 1 0 391.342 5.155 40 0 GKABRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833072 570585086 /nfs/dbraw/zinc/58/50/86/570585086.db2.gz CFFFZKUBYUTOEU-SANMLTNESA-N 1 0 398.550 5.128 40 0 GKABRO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834056 570585832 /nfs/dbraw/zinc/58/58/32/570585832.db2.gz AJWTYQDIDUOGGM-IBGZPJMESA-N 1 0 378.903 5.344 40 0 GKABRO O=C(Nc1ccc(Br)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038834023 570585986 /nfs/dbraw/zinc/58/59/86/570585986.db2.gz ZOMCYOKNUIFIBU-UHFFFAOYSA-N 1 0 387.321 5.077 40 0 GKABRO O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038860330 570588385 /nfs/dbraw/zinc/58/83/85/570588385.db2.gz PEDLFBZLVJIBRL-HNNXBMFYSA-N 1 0 396.840 5.210 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000039766008 570594098 /nfs/dbraw/zinc/59/40/98/570594098.db2.gz QOUXHDVZFSHOFW-FQEVSTJZSA-N 1 0 392.587 5.382 40 0 GKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225749484 570612916 /nfs/dbraw/zinc/61/29/16/570612916.db2.gz HXNQPNTXJXWPGO-QHCPKHFHSA-N 1 0 392.584 5.111 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C ZINC000044856301 570636775 /nfs/dbraw/zinc/63/67/75/570636775.db2.gz HXMIHKHDUSTAHV-WIYYLYMNSA-N 1 0 384.951 5.046 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856511 570637033 /nfs/dbraw/zinc/63/70/33/570637033.db2.gz UTADNMUXXREGFP-QHCPKHFHSA-N 1 0 398.978 5.436 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(C)c(C)c1 ZINC000044856503 570637107 /nfs/dbraw/zinc/63/71/07/570637107.db2.gz VIYDUYFIEPQVNL-DEOSSOPVSA-N 1 0 378.560 5.091 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(C)cc1C ZINC000044856666 570637264 /nfs/dbraw/zinc/63/72/64/570637264.db2.gz REDKZASEHMCGJW-XMMPIXPASA-N 1 0 378.560 5.091 40 0 GKABRO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCCC2)c1 ZINC000004857172 570638243 /nfs/dbraw/zinc/63/82/43/570638243.db2.gz RNKRNDMYUQHLPK-XDNSSPFJSA-N 1 0 385.621 5.308 40 0 GKABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2C)C3)cc1 ZINC000004857247 570638338 /nfs/dbraw/zinc/63/83/38/570638338.db2.gz ONCINZPWHTYSKU-FRIKZZABSA-N 1 0 393.600 5.176 40 0 GKABRO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1 ZINC000004887687 570642818 /nfs/dbraw/zinc/64/28/18/570642818.db2.gz XHQXJBKUYDAUAU-CTXDPNEZSA-N 1 0 392.012 5.345 40 0 GKABRO CC1(C)C[C@H](NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c2ccccc2O1 ZINC000044918598 570643419 /nfs/dbraw/zinc/64/34/19/570643419.db2.gz CIQRYSFJHFDSFC-QFIPXVFZSA-N 1 0 392.543 5.095 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934749 570643833 /nfs/dbraw/zinc/64/38/33/570643833.db2.gz ALHFAOPHNIFHSO-UYAOXDASSA-N 1 0 384.951 5.046 40 0 GKABRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044936633 570644354 /nfs/dbraw/zinc/64/43/54/570644354.db2.gz OAYUPJZVXUAENB-GGAORHGYSA-N 1 0 398.978 5.456 40 0 GKABRO CC[n+]1c(/C=C/c2ccc3c(c2)c2ccccc2n3C)sc2ccc(OC)cc21 ZINC000004892085 570644447 /nfs/dbraw/zinc/64/44/47/570644447.db2.gz JRINGJYTEHGLOV-UHFFFAOYSA-N 1 0 399.539 6.033 40 0 GKABRO CCSc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044938515 570644763 /nfs/dbraw/zinc/64/47/63/570644763.db2.gz YXZLIURYEXPDHR-KRWDZBQOSA-N 1 0 388.964 5.303 40 0 GKABRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC1CCCC1 ZINC000012366547 570647308 /nfs/dbraw/zinc/64/73/08/570647308.db2.gz GKJCHBGVMOLCEM-SIKLNZKXSA-N 1 0 398.547 5.204 40 0 GKABRO CC[C@@]1(C)C[C@](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000005478664 570663381 /nfs/dbraw/zinc/66/33/81/570663381.db2.gz OVJXVHHKPLUBEK-VJBMBRPKSA-N 1 0 380.016 6.782 40 0 GKABRO CCC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000102096962 570718395 /nfs/dbraw/zinc/71/83/95/570718395.db2.gz DWMBLMXBAOMOLC-RAVGUYNFSA-N 1 0 385.551 5.852 40 0 GKABRO CCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000102096957 570718721 /nfs/dbraw/zinc/71/87/21/570718721.db2.gz DWMBLMXBAOMOLC-FWEHEUNISA-N 1 0 385.551 5.852 40 0 GKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000006949677 570751405 /nfs/dbraw/zinc/75/14/05/570751405.db2.gz UUJOCZBFLSWBQW-UHFFFAOYSA-N 1 0 381.303 5.096 40 0 GKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000006949764 570751408 /nfs/dbraw/zinc/75/14/08/570751408.db2.gz KVRXUEYZYRRGAS-UHFFFAOYSA-N 1 0 388.511 5.360 40 0 GKABRO CC[NH+](CC)Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000006949556 570751419 /nfs/dbraw/zinc/75/14/19/570751419.db2.gz KAZXJQUAEDUUHF-XYOKQWHBSA-N 1 0 377.315 5.487 40 0 GKABRO CC(C)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000006883563 570752677 /nfs/dbraw/zinc/75/26/77/570752677.db2.gz ASHMXIPPQVIQFC-UHFFFAOYSA-N 1 0 382.729 5.427 40 0 GKABRO CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000007262323 570757242 /nfs/dbraw/zinc/75/72/42/570757242.db2.gz HYWOPJSEJFPZQS-UHFFFAOYSA-N 1 0 388.722 5.734 40 0 GKABRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007538738 570760416 /nfs/dbraw/zinc/76/04/16/570760416.db2.gz OSDKHIVSWOUPBU-ASXFNGKXSA-N 1 0 393.527 5.428 40 0 GKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCCC1 ZINC000008253303 570765857 /nfs/dbraw/zinc/76/58/57/570765857.db2.gz FXHQOFDMUFUQIC-UHFFFAOYSA-N 1 0 391.147 5.033 40 0 GKABRO CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008227219 570766051 /nfs/dbraw/zinc/76/60/51/570766051.db2.gz JEPZWROAJKTLME-UHFFFAOYSA-N 1 0 389.120 5.444 40 0 GKABRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730608 570863847 /nfs/dbraw/zinc/86/38/47/570863847.db2.gz AJRWITBDUGDTPS-UHFFFAOYSA-N 1 0 387.115 5.360 40 0 GKABRO CCOc1cc(C[NH2+]CCc2ccccc2)c(Cl)cc1OCc1ccccc1 ZINC000036612568 570882570 /nfs/dbraw/zinc/88/25/70/570882570.db2.gz RYEFOCWKWKDYCO-UHFFFAOYSA-N 1 0 395.930 5.650 40 0 GKABRO C[NH+]1CCN(c2ccc(Nc3ccnc4ccc(-c5ccccc5)cc43)cc2)CC1 ZINC000004253160 570896322 /nfs/dbraw/zinc/89/63/22/570896322.db2.gz YMBNETKULXIEPR-UHFFFAOYSA-N 1 0 394.522 5.397 40 0 GKABRO Fc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401407 570924136 /nfs/dbraw/zinc/92/41/36/570924136.db2.gz JETCCNBMBUVXQE-UHFFFAOYSA-N 1 0 387.857 5.530 40 0 GKABRO CC1=C[C@@H](C)[C@H](CN2CC[N@H+](C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000019325803 570925246 /nfs/dbraw/zinc/92/52/46/570925246.db2.gz VQHCAYWQEPUJSF-MDVRCGTFSA-N 1 0 386.668 6.063 40 0 GKABRO CC1=C[C@@H](C)[C@H](C[N@H+]2CCN(C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)C2C(C)C)[C@@H](C)C1 ZINC000019325806 570925351 /nfs/dbraw/zinc/92/53/51/570925351.db2.gz VQHCAYWQEPUJSF-DBYOUFMXSA-N 1 0 386.668 6.063 40 0 GKABRO Cc1ccccc1C(c1ccccc1C)[N@H+]1[C@@H]2CC[C@H]1C[C@@](O)(c1ccccc1)C2 ZINC000584567018 570940386 /nfs/dbraw/zinc/94/03/86/570940386.db2.gz LOSJNRBXNQTUNT-GPNILKFXSA-N 1 0 397.562 5.907 40 0 GKABRO Clc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c(Br)c1 ZINC000020158464 570942421 /nfs/dbraw/zinc/94/24/21/570942421.db2.gz SXPLKMNEMJYZMW-UHFFFAOYSA-N 1 0 377.669 5.047 40 0 GKABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000019083439 570956116 /nfs/dbraw/zinc/95/61/16/570956116.db2.gz JHZJNZJCTNAJNT-UHFFFAOYSA-N 1 0 398.554 5.500 40 0 GKABRO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000019210163 570959967 /nfs/dbraw/zinc/95/99/67/570959967.db2.gz OJCOQPPQWMIBAL-UHFFFAOYSA-N 1 0 396.494 5.175 40 0 GKABRO c1ccc(Cn2c3ccccc3c3c2[C@]2(c4ccccc4)CCC[N@@H+]2CC3)cc1 ZINC000021963914 570961153 /nfs/dbraw/zinc/96/11/53/570961153.db2.gz VSWZVHRGFRBFBY-HHHXNRCGSA-N 1 0 378.519 5.585 40 0 GKABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2ccccc2N2CCCC2)nc1 ZINC000019215573 570961793 /nfs/dbraw/zinc/96/17/93/570961793.db2.gz ATWOWVJPZRRBOL-JOCHJYFZSA-N 1 0 377.557 5.125 40 0 GKABRO CC(C)[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004863317 570998481 /nfs/dbraw/zinc/99/84/81/570998481.db2.gz QTRIGFJYNKGEIO-QUMGSSFMSA-N 1 0 389.514 5.761 40 0 GKABRO CCOc1ccc([C@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)cc1 ZINC000019532665 570999312 /nfs/dbraw/zinc/99/93/12/570999312.db2.gz GGTKCUJOSDLTRD-HRAATJIYSA-N 1 0 379.504 5.006 40 0 GKABRO CCCCCC[C@]1(O)C[C@@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@@H]1C ZINC000004898583 571004679 /nfs/dbraw/zinc/00/46/79/571004679.db2.gz XTXJCNLNKMWVKO-PZYJALBSSA-N 1 0 379.588 6.417 40 0 GKABRO COc1ccccc1C1([NH2+]Cc2ccccc2OCc2ccccn2)CCCC1 ZINC000019569186 571009292 /nfs/dbraw/zinc/00/92/92/571009292.db2.gz WWZBZAMRKDZCNI-UHFFFAOYSA-N 1 0 388.511 5.228 40 0 GKABRO C[C@@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000054670903 571012406 /nfs/dbraw/zinc/01/24/06/571012406.db2.gz UYCLTBPWRCSHSX-FQEVSTJZSA-N 1 0 396.534 5.778 40 0 GKABRO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)s1 ZINC000019691976 571029645 /nfs/dbraw/zinc/02/96/45/571029645.db2.gz WDHRUBROCGNKAQ-JOCHJYFZSA-N 1 0 397.975 5.736 40 0 GKABRO Cc1noc2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)cc(C(F)F)c12 ZINC000019564349 210263023 /nfs/dbraw/zinc/26/30/23/210263023.db2.gz LZZMFSUUVBLELK-GFCCVEGCSA-N 1 0 393.384 5.127 40 0 GKABRO CCOc1ccc([C@@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)cc1 ZINC000019532663 210260220 /nfs/dbraw/zinc/26/02/20/210260220.db2.gz GGTKCUJOSDLTRD-IIBYNOLFSA-N 1 0 379.504 5.006 40 0 GKABRO c1ccc(COc2ccc3ccccc3c2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073712 230908204 /nfs/dbraw/zinc/90/82/04/230908204.db2.gz PSDALCFOJUPBAZ-UHFFFAOYSA-N 1 0 397.562 6.333 40 0 GKABRO O=C(Nc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039761860 230928222 /nfs/dbraw/zinc/92/82/22/230928222.db2.gz RCZCLZPZPIAPSG-UHFFFAOYSA-N 1 0 378.903 5.344 40 0 GKABRO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039772926 230928775 /nfs/dbraw/zinc/92/87/75/230928775.db2.gz HZNJCBGZEFZXEV-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222963436 222620462 /nfs/dbraw/zinc/62/04/62/222620462.db2.gz WPLPAMTWDOZOPW-WOJBJXKFSA-N 1 0 390.571 5.288 40 0 GKABRO COc1ccc2[nH]c(C[NH2+][C@@H](Cc3ccsc3)c3ccc(C)cn3)c(C)c2c1 ZINC000019215424 210230361 /nfs/dbraw/zinc/23/03/61/210230361.db2.gz YMFDMZIJWASXNV-QFIPXVFZSA-N 1 0 391.540 5.323 40 0 GKABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257272709 222767982 /nfs/dbraw/zinc/76/79/82/222767982.db2.gz NDMMPSVORZWQOZ-QHCPKHFHSA-N 1 0 387.527 5.160 40 0 GKABRO CC/C(=C(\c1ccccc1)c1ccc(OCC[NH+](C)C)cc1)c1ccc(O)cc1 ZINC000008602413 209788153 /nfs/dbraw/zinc/78/81/53/209788153.db2.gz DODQJNMQWMSYGS-QPLCGJKRSA-N 1 0 387.523 5.702 40 0 in-man GKABRO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccc(Cl)cc1Cl ZINC000008495421 209783701 /nfs/dbraw/zinc/78/37/01/209783701.db2.gz HXZCEXNIZCCZCV-UHFFFAOYSA-N 1 0 394.342 6.003 40 0 GKABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006455777 209650669 /nfs/dbraw/zinc/65/06/69/209650669.db2.gz LZQFQOVIWCMKSK-BSJQURJQSA-N 1 0 397.603 5.157 40 0 GKABRO O[C@H](c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001608701 209333981 /nfs/dbraw/zinc/33/39/81/209333981.db2.gz SIMZCSJWBZNZHN-TZIWHRDSSA-N 1 0 387.310 5.384 40 0 GKABRO CCCCc1ccc([C@@](O)(CC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000001615807 209333479 /nfs/dbraw/zinc/33/34/79/209333479.db2.gz JMKRNOIPONXWSL-PUUKEUDRSA-N 1 0 391.599 5.777 40 0 GKABRO CC(C)c1cc2ccccn2c1C(=O)c1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000001541062 209332090 /nfs/dbraw/zinc/33/20/90/209332090.db2.gz ZVRBFQSPBKYIAR-UHFFFAOYSA-N 1 0 392.543 5.451 40 0 in-man GKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccccc2)nc2c(N)cccc12 ZINC000001710590 212253868 /nfs/dbraw/zinc/25/38/68/212253868.db2.gz QXNYXDPHEZDGAU-DEOSSOPVSA-N 1 0 391.559 5.420 40 0 GKABRO Cc1ccc2nc(Nc3ccc(Cl)cc3)cc([C@@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000001597065 212250605 /nfs/dbraw/zinc/25/06/05/212250605.db2.gz OPHSUDOCLFJDKP-RBBKRZOGSA-N 1 0 381.907 5.116 40 0 GKABRO COc1cc(NCCC[NH+](CC(C)C)CC(C)C)c2ncccc2c1Cl ZINC000001591923 212250274 /nfs/dbraw/zinc/25/02/74/212250274.db2.gz FCGCFISCWZEHHG-UHFFFAOYSA-N 1 0 377.960 5.313 40 0 GKABRO CC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004866075 209188754 /nfs/dbraw/zinc/18/87/54/209188754.db2.gz HKJVXAYMDUGIOW-BJTUFNSYSA-N 1 0 387.523 5.385 40 0 GKABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000216827485 212105702 /nfs/dbraw/zinc/10/57/02/212105702.db2.gz VMQPITGEQCTENP-GASCZTMLSA-N 1 0 399.332 6.020 40 0 GKABRO Cc1cc(C)c(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C/C=C/c2ccccc2)c(C)c1 ZINC000002761112 212062679 /nfs/dbraw/zinc/06/26/79/212062679.db2.gz WJULBBBAYTUOPP-PUPDWEOMSA-N 1 0 389.539 5.477 40 0 GKABRO O[C@@H](c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001608702 203914428 /nfs/dbraw/zinc/91/44/28/203914428.db2.gz SIMZCSJWBZNZHN-FPOVZHCZSA-N 1 0 387.310 5.384 40 0 GKABRO CC(C)(C)[NH2+]CC[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000003954547 204023167 /nfs/dbraw/zinc/02/31/67/204023167.db2.gz NEZJFNMPGLCANK-CYBMUJFWSA-N 1 0 394.359 5.084 40 0 in-vitro GKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1c(Cl)ccc2ccccc21 ZINC000004727039 204069128 /nfs/dbraw/zinc/06/91/28/204069128.db2.gz MLKUUXACZYEZNJ-QHCPKHFHSA-N 1 0 390.011 6.989 40 0 GKABRO CCCC[C@@H](CC)C[NH+](C[C@H](O)c1ccc(Cl)cc1)C[C@H](CC)CCCC ZINC000004792161 204075463 /nfs/dbraw/zinc/07/54/63/204075463.db2.gz UNCPULXBAXBGOC-LGVFNWMJSA-N 1 0 396.059 7.108 40 0 GKABRO c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000005105034 204112613 /nfs/dbraw/zinc/11/26/13/204112613.db2.gz PIWBBRRXNVVFGQ-KAYWLYCHSA-N 1 0 395.550 5.943 40 0 GKABRO CC(=O)OCC[N@H+](C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000004980988 204100174 /nfs/dbraw/zinc/10/01/74/204100174.db2.gz BRHVDTJVVBPNCJ-OCCJOITDSA-N 1 0 375.597 5.328 40 0 GKABRO O=C1CCCCCCCCCC[C@@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005851302 204153725 /nfs/dbraw/zinc/15/37/25/204153725.db2.gz VQMYAVZCQWJTBY-AREMUKBSSA-N 1 0 391.599 6.789 40 0 GKABRO CC[C@@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000005923260 204157188 /nfs/dbraw/zinc/15/71/88/204157188.db2.gz VFFBJZCCXOYRNN-IZZNHLLZSA-N 1 0 389.539 5.057 40 0 GKABRO CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)C[NH+]1CCCCCCC1 ZINC000005964758 204160120 /nfs/dbraw/zinc/16/01/20/204160120.db2.gz SGYPZJVPXMCUGO-QFIPXVFZSA-N 1 0 377.572 5.854 40 0 GKABRO CCCCC[NH+](CCCCC)C[C@@H](O)C1c2ccccc2Cc2ccccc21 ZINC000005973197 204160723 /nfs/dbraw/zinc/16/07/23/204160723.db2.gz SQLYWILAMXSGOP-RUZDIDTESA-N 1 0 379.588 5.766 40 0 GKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)nc1 ZINC000006857375 204215904 /nfs/dbraw/zinc/21/59/04/204215904.db2.gz HLYBWNKXCSPFCY-UHFFFAOYSA-N 1 0 390.955 5.627 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000007260975 204237888 /nfs/dbraw/zinc/23/78/88/204237888.db2.gz QBLVHEGBQQRJNS-UHFFFAOYSA-N 1 0 393.930 6.127 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccc(Cl)nc1 ZINC000007523531 204242014 /nfs/dbraw/zinc/24/20/14/204242014.db2.gz SSMNEUIGQNHUHF-UHFFFAOYSA-N 1 0 388.939 5.525 40 0 GKABRO COc1ccc(C[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000007538326 204242156 /nfs/dbraw/zinc/24/21/56/204242156.db2.gz JMZZQLCHTAEFGG-UHFFFAOYSA-N 1 0 383.491 5.717 40 0 GKABRO Clc1ccc(COc2ccccc2C[NH2+]C2CCCCCCC2)c(Cl)c1 ZINC000007522122 204242332 /nfs/dbraw/zinc/24/23/32/204242332.db2.gz NPTOOMTUANYYRU-UHFFFAOYSA-N 1 0 392.370 6.775 40 0 GKABRO Clc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)c(Cl)c1 ZINC000007539035 204242993 /nfs/dbraw/zinc/24/29/93/204242993.db2.gz GLZQCGVDGBRGRA-UHFFFAOYSA-N 1 0 376.239 5.272 40 0 GKABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000007538309 204243099 /nfs/dbraw/zinc/24/30/99/204243099.db2.gz ZEMIPDKQHNGHBY-UHFFFAOYSA-N 1 0 397.902 5.226 40 0 GKABRO CCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008253173 204268189 /nfs/dbraw/zinc/26/81/89/204268189.db2.gz KGMQOPUNLKXALI-UHFFFAOYSA-N 1 0 398.330 5.097 40 0 GKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1cccc(Cl)c1 ZINC000008471938 204276310 /nfs/dbraw/zinc/27/63/10/204276310.db2.gz GIKYAGXBPQEIEF-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCCCC1 ZINC000016525869 204595659 /nfs/dbraw/zinc/59/56/59/204595659.db2.gz QJAOPMJWQJBCMB-UHFFFAOYSA-N 1 0 377.503 6.370 40 0 GKABRO CCN(CC)CC[NH2+][C@H](Cc1ccccc1)c1c(OC)ccc2ccccc21 ZINC000022871021 204791596 /nfs/dbraw/zinc/79/15/96/204791596.db2.gz VXBYQZLOAQYNKN-HSZRJFAPSA-N 1 0 376.544 5.064 40 0 GKABRO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038849495 205041162 /nfs/dbraw/zinc/04/11/62/205041162.db2.gz SPNBKJVYRBDDQT-INIZCTEOSA-N 1 0 377.315 5.153 40 0 GKABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000038753949 205037765 /nfs/dbraw/zinc/03/77/65/205037765.db2.gz SYQMGNOHCMDGQT-UXHICEINSA-N 1 0 392.587 5.707 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1C ZINC000044856355 205087776 /nfs/dbraw/zinc/08/77/76/205087776.db2.gz IEKUYEVVMYWENW-GOSISDBHSA-N 1 0 384.951 5.046 40 0 GKABRO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000044936845 205090927 /nfs/dbraw/zinc/09/09/27/205090927.db2.gz UHORFVJARKYDLK-HSZRJFAPSA-N 1 0 398.978 5.456 40 0 GKABRO c1csc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cccc4ncccc34)n2)n1 ZINC000072375740 205338040 /nfs/dbraw/zinc/33/80/40/205338040.db2.gz OBXXRQMJWOKCIB-FQEVSTJZSA-N 1 0 387.512 5.167 40 0 GKABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=[N+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926772 205683410 /nfs/dbraw/zinc/68/34/10/205683410.db2.gz LTBNRQAXXPRPMN-FBQZJRKBSA-N 1 0 382.612 5.792 40 0 GKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC ZINC000016688377 205907407 /nfs/dbraw/zinc/90/74/07/205907407.db2.gz KAHGXUWRPBWACC-SCUMNGBJSA-N 1 0 391.983 5.832 40 0 GKABRO CCCC[C@@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000027241227 206010934 /nfs/dbraw/zinc/01/09/34/206010934.db2.gz WHIRZSPIYFHYSW-DNQXCXABSA-N 1 0 385.979 5.988 40 0 GKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000224758956 206027329 /nfs/dbraw/zinc/02/73/29/206027329.db2.gz HWPBWKTXCURZDE-LGUFXXKBSA-N 1 0 396.534 5.139 40 0 GKABRO Clc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034086984 206100055 /nfs/dbraw/zinc/10/00/55/206100055.db2.gz JONOYXATECIXQY-ZCYQVOJMSA-N 1 0 390.958 5.488 40 0 GKABRO c1ccc(Cc2ccc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)nc2)cc1 ZINC000257247384 206166416 /nfs/dbraw/zinc/16/64/16/206166416.db2.gz IYUFKJSRFJVFCE-UHFFFAOYSA-N 1 0 393.534 5.600 40 0 GKABRO COc1ccc(CNc2cccc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cc1 ZINC000257260849 206167281 /nfs/dbraw/zinc/16/72/81/206167281.db2.gz LESKYBZUDJXCFQ-FQEVSTJZSA-N 1 0 379.548 5.214 40 0 GKABRO COc1cc(N[C@H](C)C[NH+](CC(C)C)CC(C)C)c2ncccc2c1Cl ZINC000001592012 206387438 /nfs/dbraw/zinc/38/74/38/206387438.db2.gz YBLLVXWTGTUZKJ-MRXNPFEDSA-N 1 0 377.960 5.311 40 0 GKABRO C[NH+](C)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000001621258 206387770 /nfs/dbraw/zinc/38/77/70/206387770.db2.gz WYGCOYQHBPYZLI-SFHVURJKSA-N 1 0 395.717 5.457 40 0 GKABRO O[C@@H](c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001640910 206388308 /nfs/dbraw/zinc/38/83/08/206388308.db2.gz NXTJDLLZXKYMMP-CTNGQTDRSA-N 1 0 387.310 5.384 40 0 GKABRO CCCC[NH+](CCCC)CCCn1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000001648136 206388506 /nfs/dbraw/zinc/38/85/06/206388506.db2.gz LWPOVJQYPCRSDC-UHFFFAOYSA-N 1 0 388.599 7.114 40 0 GKABRO O[C@](CCC[NH+]1CCCCC1)(c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000001701750 206389579 /nfs/dbraw/zinc/38/95/79/206389579.db2.gz NTSNHSIFEUHAEF-OAQYLSRUSA-N 1 0 377.450 5.207 40 0 GKABRO CC[NH+](CC)CCC[C@H](C)n1c2ccc(Cl)cc2nc1-c1ccc(OC)cc1 ZINC000001873682 206393841 /nfs/dbraw/zinc/39/38/41/206393841.db2.gz MZDKNXNWNBBKOM-KRWDZBQOSA-N 1 0 399.966 6.048 40 0 GKABRO c1csc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375355 211106045 /nfs/dbraw/zinc/10/60/45/211106045.db2.gz RKFRKBCYFYNFJS-FQEVSTJZSA-N 1 0 387.512 5.167 40 0 GKABRO Cc1cccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375354 211105163 /nfs/dbraw/zinc/10/51/63/211105163.db2.gz GQIFVGDUWZNBKE-HSZRJFAPSA-N 1 0 395.510 5.414 40 0 GKABRO Clc1ccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348830 211094524 /nfs/dbraw/zinc/09/45/24/211094524.db2.gz OVLZWAZWZNBFIE-HXUWFJFHSA-N 1 0 377.919 5.100 40 0 GKABRO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072358227 211098409 /nfs/dbraw/zinc/09/84/09/211098409.db2.gz JBAAZLVDNYWJPA-QFIPXVFZSA-N 1 0 392.934 5.100 40 0 GKABRO OCc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)n2)cc1 ZINC000072350438 211096891 /nfs/dbraw/zinc/09/68/91/211096891.db2.gz LFOLNHIZYYGBDR-HSZRJFAPSA-N 1 0 397.522 5.102 40 0 GKABRO CCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000007261627 206707071 /nfs/dbraw/zinc/70/70/71/206707071.db2.gz IKXDZUNSPYKWHC-UHFFFAOYSA-N 1 0 392.337 5.317 40 0 GKABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccccc1 ZINC000008254036 206743562 /nfs/dbraw/zinc/74/35/62/206743562.db2.gz UXECRLLDYQZDIK-UHFFFAOYSA-N 1 0 392.337 5.315 40 0 GKABRO O=C(CN(C1=[NH+]CCCCC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000041104944 210799422 /nfs/dbraw/zinc/79/94/22/210799422.db2.gz AKQJYFLPPPWZNC-UHFFFAOYSA-N 1 0 381.347 5.783 40 0 GKABRO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000020043320 207176460 /nfs/dbraw/zinc/17/64/60/207176460.db2.gz SFLAOTGWYFZTPP-SANMLTNESA-N 1 0 398.550 5.500 40 0 GKABRO Cc1ccccc1[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000019932051 207170982 /nfs/dbraw/zinc/17/09/82/207170982.db2.gz HUEKPEYJQNJNFQ-RUZDIDTESA-N 1 0 384.523 5.110 40 0 GKABRO CCn1c2ccccc2c2cc(CN3CC[NH+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)CC3)ccc21 ZINC000022032194 207245407 /nfs/dbraw/zinc/24/54/07/207245407.db2.gz XXBYUKOZMOTUIR-WWNPGLIZSA-N 1 0 399.582 5.144 40 0 GKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCC2)cc1 ZINC000022074263 207245853 /nfs/dbraw/zinc/24/58/53/207245853.db2.gz BQINNABQLVNIAM-UHFFFAOYSA-N 1 0 378.285 5.199 40 0 GKABRO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030938186 207377395 /nfs/dbraw/zinc/37/73/95/207377395.db2.gz CSBGTWYLVQFRMK-HXUWFJFHSA-N 1 0 384.951 5.533 40 0 GKABRO O=C(Nc1cccc(Br)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038833963 207562737 /nfs/dbraw/zinc/56/27/37/207562737.db2.gz PYUXKRVOMNTYJL-UHFFFAOYSA-N 1 0 387.321 5.077 40 0 GKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000044874426 207640939 /nfs/dbraw/zinc/64/09/39/207640939.db2.gz ZWSQSKVHZDOEPH-UHFFFAOYSA-N 1 0 398.506 5.502 40 0 GKABRO CC(C)CC(=O)N[C@@H](c1nccs1)C1CCC(C[NH2+]C2CCCCC2)CC1 ZINC000072373169 208009288 /nfs/dbraw/zinc/00/92/88/208009288.db2.gz SETDKAVYVNNHMY-WIXQSORDSA-N 1 0 391.625 5.075 40 0 GKABRO c1ccc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4cccc5ncccc45)C3)n2)nc1 ZINC000072376093 208009372 /nfs/dbraw/zinc/00/93/72/208009372.db2.gz HVBPJZYGNIEDCM-HXUWFJFHSA-N 1 0 395.510 5.148 40 0 GKABRO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)cc1 ZINC000072380355 208011631 /nfs/dbraw/zinc/01/16/31/208011631.db2.gz WFKGAVIDTPPUDN-FQEVSTJZSA-N 1 0 386.474 5.144 40 0 GKABRO O=C(Nc1ccc(Nc2ccccc2)cc1)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096157047 208279789 /nfs/dbraw/zinc/27/97/89/208279789.db2.gz WGIUBUPNBWNFDG-UHFFFAOYSA-N 1 0 395.506 5.087 40 0 GKABRO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000100765939 208382035 /nfs/dbraw/zinc/38/20/35/208382035.db2.gz HZEVDVGPBUFIAW-JKHIJQBDSA-N 1 0 385.498 5.866 40 0 in-vitro GKABRO CC[C@@]1(C)C[C@@H]([C@H](CC[NH2+]Cc2ccc(F)cc2)c2ccc(C)cc2)CCO1 ZINC000101187280 208390768 /nfs/dbraw/zinc/39/07/68/208390768.db2.gz CWHCPPKINMQAJH-CAOCKLPOSA-N 1 0 383.551 5.993 40 0 GKABRO Clc1ccc(-[n+]2c(-c3ccc(Cl)cc3Cl)cn3c2CCCCC3)cc1 ZINC000026506377 208902704 /nfs/dbraw/zinc/90/27/04/208902704.db2.gz YCBVIMSSAOLLIJ-UHFFFAOYSA-N 1 0 392.737 6.118 40 0 GKABRO CC(C)[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000229925473 209004507 /nfs/dbraw/zinc/00/45/07/209004507.db2.gz XANBEVHQLOSTKB-YYGZZXRFSA-N 1 0 385.551 5.965 40 0 GKABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)n1 ZINC000257243879 209059150 /nfs/dbraw/zinc/05/91/50/209059150.db2.gz IIYRLPXNHYIEED-INIZCTEOSA-N 1 0 399.897 5.211 40 0 GKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000007538753 221001404 /nfs/dbraw/zinc/00/14/04/221001404.db2.gz ZUYUVDSRNUEQRX-RNXZQOMOSA-N 1 0 383.963 6.603 40 0 GKABRO Cc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000007525175 221001442 /nfs/dbraw/zinc/00/14/42/221001442.db2.gz SKHSLWGIEBCBJF-UHFFFAOYSA-N 1 0 386.322 6.171 40 0 GKABRO CCOc1c(Cl)cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008253398 221033028 /nfs/dbraw/zinc/03/30/28/221033028.db2.gz BPKAVYPFKSICEU-XSXQVXRUSA-N 1 0 377.956 5.442 40 0 GKABRO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008325941 221037278 /nfs/dbraw/zinc/03/72/78/221037278.db2.gz KECBXWYQKDIMDG-CYBMUJFWSA-N 1 0 382.729 5.570 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000008472151 221041627 /nfs/dbraw/zinc/04/16/27/221041627.db2.gz NLTNQKAQFSJAEO-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO COc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008470505 221042670 /nfs/dbraw/zinc/04/26/70/221042670.db2.gz DGPOWZZIWINWBW-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO C[C@H]([NH2+]Cc1ccccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497397 221043507 /nfs/dbraw/zinc/04/35/07/221043507.db2.gz IDMJCIBTXGCIMH-FJDLLSKQSA-N 1 0 393.546 6.099 40 0 GKABRO C[N@@H+]1C[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000013635311 221278546 /nfs/dbraw/zinc/27/85/46/221278546.db2.gz JABONFOKZVPFLG-RPBOFIJWSA-N 1 0 379.503 5.572 40 0 GKABRO OC(c1ccccc1)(c1ccccc1)[C@H]1CC[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C1 ZINC000013799494 221289307 /nfs/dbraw/zinc/28/93/07/221289307.db2.gz XSLGPTMCZRXAJH-UCGXPXSYSA-N 1 0 383.535 5.191 40 0 GKABRO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H](C)C1(O)Cc1ccccc1 ZINC000013756322 221287527 /nfs/dbraw/zinc/28/75/27/221287527.db2.gz XYXSWNLJRUZOJN-BAKRLXSVSA-N 1 0 385.551 5.660 40 0 GKABRO Clc1ccc(COc2ccc(C[NH2+]Cc3cccs3)cc2)c(Cl)c1 ZINC000016430646 221363385 /nfs/dbraw/zinc/36/33/85/221363385.db2.gz LHNUUVAUWMRYAO-UHFFFAOYSA-N 1 0 378.324 5.924 40 0 GKABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(F)cc2F)on1 ZINC000019120484 221397469 /nfs/dbraw/zinc/39/74/69/221397469.db2.gz DCHYUNXNRCMZSS-FDDCHVKYSA-N 1 0 397.469 5.070 40 0 GKABRO Cc1cc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)cc2c1 ZINC000057718297 136153873 /nfs/dbraw/zinc/15/38/73/136153873.db2.gz JAKUALHFHAQFEJ-QZTJIDSGSA-N 1 0 389.543 5.239 40 0 GKABRO Cc1cc(C)c2[nH]c(=O)c(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718285 136153885 /nfs/dbraw/zinc/15/38/85/136153885.db2.gz JAKUALHFHAQFEJ-HDICACEKSA-N 1 0 389.543 5.239 40 0 GKABRO Cc1ccc2cc(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2c1C ZINC000057718276 136153960 /nfs/dbraw/zinc/15/39/60/136153960.db2.gz XTQJWYLKCGRLNW-IRXDYDNUSA-N 1 0 389.543 5.239 40 0 GKABRO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)cc12 ZINC000057718316 136153969 /nfs/dbraw/zinc/15/39/69/136153969.db2.gz MHLYIEOFRAMIOJ-IAGOWNOFSA-N 1 0 389.543 5.239 40 0 GKABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)ccn1 ZINC000257344786 209080614 /nfs/dbraw/zinc/08/06/14/209080614.db2.gz ZYQZQSDHLPSKHZ-UHFFFAOYSA-N 1 0 386.499 5.214 40 0 GKABRO Cc1ccc(-[n+]2cc(-c3ccc(-c4ccccc4)cc3)n3c2CCCCC3)cc1 ZINC000026441611 221641116 /nfs/dbraw/zinc/64/11/16/221641116.db2.gz GCTJMPJVPFEKGV-UHFFFAOYSA-N 1 0 379.527 6.134 40 0 GKABRO Clc1ccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348870 222235145 /nfs/dbraw/zinc/23/51/45/222235145.db2.gz LXDCMKZKFOVOKG-HXUWFJFHSA-N 1 0 377.919 5.100 40 0 GKABRO Clc1ccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348960 222235341 /nfs/dbraw/zinc/23/53/41/222235341.db2.gz NIYHIITXCCPOLW-LJQANCHMSA-N 1 0 377.919 5.100 40 0 GKABRO FC(F)(F)c1cccc(-c2cccc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350086 222236232 /nfs/dbraw/zinc/23/62/32/222236232.db2.gz YKSKVERHMOVARM-QGZVFWFLSA-N 1 0 390.449 5.126 40 0 GKABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072354562 222238006 /nfs/dbraw/zinc/23/80/06/222238006.db2.gz MFGFDXNEZYFKEE-LJQANCHMSA-N 1 0 398.432 5.082 40 0 GKABRO Fc1ccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000072359224 222238951 /nfs/dbraw/zinc/23/89/51/222238951.db2.gz FKJFPQDDQYXFBZ-FQEVSTJZSA-N 1 0 386.474 5.144 40 0 GKABRO FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358331 222240002 /nfs/dbraw/zinc/24/00/02/222240002.db2.gz HZYZHIUCWCPYOW-INIZCTEOSA-N 1 0 375.438 5.284 40 0 GKABRO Clc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)c1 ZINC000072380371 222243814 /nfs/dbraw/zinc/24/38/14/222243814.db2.gz HKQCKKDZOQNOLT-JOCHJYFZSA-N 1 0 388.902 5.615 40 0 GKABRO C[C@@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000096023482 222372277 /nfs/dbraw/zinc/37/22/77/222372277.db2.gz JVKYZPBMZPJNAJ-WBHRXQROSA-N 1 0 397.647 5.655 40 0 GKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccccc1C(F)(F)F ZINC000408580944 534509654 /nfs/dbraw/zinc/50/96/54/534509654.db2.gz FIYDVXKLNVOPRG-UHFFFAOYSA-N 1 0 382.470 5.611 40 0 GKABRO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O ZINC000408725677 528403985 /nfs/dbraw/zinc/40/39/85/528403985.db2.gz NNIUXGDOTBNCPX-NBVRZTHBSA-N 1 0 392.590 5.305 40 0 GKABRO CC(=O)OCC[NH+](C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000004980986 570213748 /nfs/dbraw/zinc/21/37/48/570213748.db2.gz BRHVDTJVVBPNCJ-KXNGWZAWSA-N 1 0 375.597 5.328 40 0 GKABRO C[C@H]1C[C@H](C)C[NH+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000034896588 570221104 /nfs/dbraw/zinc/22/11/04/570221104.db2.gz VHEQVJXZOYORGL-AVYPCKFXSA-N 1 0 391.342 5.651 40 0 GKABRO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000019932049 570231343 /nfs/dbraw/zinc/23/13/43/570231343.db2.gz HUEKPEYJQNJNFQ-VWLOTQADSA-N 1 0 384.523 5.110 40 0 GKABRO CCCCC[N@@H+]1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262947 570231369 /nfs/dbraw/zinc/23/13/69/570231369.db2.gz QWEVBZOSENOEGF-QGZVFWFLSA-N 1 0 382.939 5.419 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)C1 ZINC000020453156 570257652 /nfs/dbraw/zinc/25/76/52/570257652.db2.gz GWVUAIFWMLDYGR-OAQYLSRUSA-N 1 0 398.550 5.438 40 0 GKABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(Br)c2ccccc21 ZINC000001644106 570266357 /nfs/dbraw/zinc/26/63/57/570266357.db2.gz VMVNLFRCKRQDEX-FQEVSTJZSA-N 1 0 378.354 5.538 40 0 GKABRO Clc1ccccc1N1CCN(c2c3ccccc3[nH+]c3c2CCCCC3)CC1 ZINC000001699186 570267361 /nfs/dbraw/zinc/26/73/61/570267361.db2.gz GLEPAAXOOUSYRF-UHFFFAOYSA-N 1 0 391.946 5.484 40 0 GKABRO CCCC[NH+](CCCC)CCC[C@@]1(c2ccccc2)c2ccccc2OC1=O ZINC000002000143 570271979 /nfs/dbraw/zinc/27/19/79/570271979.db2.gz AKDBWOZUOOWSNL-RUZDIDTESA-N 1 0 379.544 5.574 40 0 GKABRO C[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000101121661 570281155 /nfs/dbraw/zinc/28/11/55/570281155.db2.gz NTQGEZJOMVFLMK-LVEBQJTPSA-N 1 0 375.487 5.468 40 0 GKABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000216190809 570297086 /nfs/dbraw/zinc/29/70/86/570297086.db2.gz SYQMGNOHCMDGQT-WOJBJXKFSA-N 1 0 392.587 5.707 40 0 GKABRO COC(c1ccccc1)(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000104135996 570298342 /nfs/dbraw/zinc/29/83/42/570298342.db2.gz JBAHSWIYXPCPOY-PNDVLSOFSA-N 1 0 397.562 6.335 40 0 GKABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022074146 570304846 /nfs/dbraw/zinc/30/48/46/570304846.db2.gz SUZSXNZFFYAKPO-SFHVURJKSA-N 1 0 395.930 6.169 40 0 GKABRO Clc1ccc(OCc2ccccc2)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000022073893 570304939 /nfs/dbraw/zinc/30/49/39/570304939.db2.gz MWBPEIFPCOTMRK-UHFFFAOYSA-N 1 0 381.947 5.977 40 0 GKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 ZINC000022074551 570304945 /nfs/dbraw/zinc/30/49/45/570304945.db2.gz BKOKMQAVRGXGKE-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO Clc1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)c(Cl)c1 ZINC000022076866 570305385 /nfs/dbraw/zinc/30/53/85/570305385.db2.gz DFXYIIMICXOJQU-UHFFFAOYSA-N 1 0 385.294 6.067 40 0 GKABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215627 570313711 /nfs/dbraw/zinc/31/37/11/570313711.db2.gz FYDGJCROILLXAT-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214524 570314566 /nfs/dbraw/zinc/31/45/66/570314566.db2.gz YOMSQCMNJGGLAC-FQEVSTJZSA-N 1 0 381.520 5.180 40 0 GKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072214580 570314746 /nfs/dbraw/zinc/31/47/46/570314746.db2.gz HAJKASUXVULYKG-HXUWFJFHSA-N 1 0 389.584 5.662 40 0 GKABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214607 570314881 /nfs/dbraw/zinc/31/48/81/570314881.db2.gz ADZULHKLTJBYAS-FQEVSTJZSA-N 1 0 381.520 5.180 40 0 GKABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214848 570314951 /nfs/dbraw/zinc/31/49/51/570314951.db2.gz KTCFOJUQAIFQAA-OAQYLSRUSA-N 1 0 395.547 5.569 40 0 GKABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214824 570315059 /nfs/dbraw/zinc/31/50/59/570315059.db2.gz VIPBNOKFHZFIND-NRFANRHFSA-N 1 0 395.547 5.570 40 0 GKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214578 570315097 /nfs/dbraw/zinc/31/50/97/570315097.db2.gz CWPVSFMUIIDUAZ-IBGZPJMESA-N 1 0 375.557 5.415 40 0 GKABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214645 570315103 /nfs/dbraw/zinc/31/51/03/570315103.db2.gz DEVNVXJSJKUVFS-OAQYLSRUSA-N 1 0 395.547 5.570 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072215154 570315218 /nfs/dbraw/zinc/31/52/18/570315218.db2.gz FYSDTSBIVHZWDT-PKOBYXMFSA-N 1 0 375.557 5.557 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CCCC ZINC000072215043 570315340 /nfs/dbraw/zinc/31/53/40/570315340.db2.gz KTENESSMHFYKNM-LJQANCHMSA-N 1 0 375.557 5.560 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CCCC)cn1 ZINC000072214983 570315471 /nfs/dbraw/zinc/31/54/71/570315471.db2.gz AWDXUDIULIWJAP-LJQANCHMSA-N 1 0 375.557 5.560 40 0 GKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215126 570315476 /nfs/dbraw/zinc/31/54/76/570315476.db2.gz FZDRVOARGHCRRW-HKUYNNGSSA-N 1 0 375.557 5.559 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CCCC)cn1 ZINC000072214984 570315485 /nfs/dbraw/zinc/31/54/85/570315485.db2.gz AWDXUDIULIWJAP-IBGZPJMESA-N 1 0 375.557 5.560 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072215060 570315505 /nfs/dbraw/zinc/31/55/05/570315505.db2.gz LQFJFUZKGPBYTC-FQEVSTJZSA-N 1 0 389.584 5.806 40 0 GKABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215583 570315781 /nfs/dbraw/zinc/31/57/81/570315781.db2.gz JXACZEJKYAVPFT-FQEVSTJZSA-N 1 0 387.568 5.701 40 0 GKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215271 570315789 /nfs/dbraw/zinc/31/57/89/570315789.db2.gz IJIFHVIXKRFLBL-AZUAARDMSA-N 1 0 389.584 5.949 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072215267 570315805 /nfs/dbraw/zinc/31/58/05/570315805.db2.gz USZZUPMZZKFOGZ-QUCCMNQESA-N 1 0 389.584 5.805 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072215233 570315837 /nfs/dbraw/zinc/31/58/37/570315837.db2.gz KMIFNHOVBNKCGD-MJGOQNOKSA-N 1 0 375.557 5.415 40 0 GKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215465 570315898 /nfs/dbraw/zinc/31/58/98/570315898.db2.gz OXIBIYSZSDPVCR-FQEVSTJZSA-N 1 0 387.568 5.559 40 0 GKABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215802 570316447 /nfs/dbraw/zinc/31/64/47/570316447.db2.gz RUDIRUFWUXTTEB-FQEVSTJZSA-N 1 0 381.520 5.700 40 0 GKABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215741 570316485 /nfs/dbraw/zinc/31/64/85/570316485.db2.gz WYAUAIXFSUEJMM-HXUWFJFHSA-N 1 0 387.568 5.701 40 0 GKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215808 570316689 /nfs/dbraw/zinc/31/66/89/570316689.db2.gz BHJGWGZHZQHXHT-NRFANRHFSA-N 1 0 395.547 6.092 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)C1 ZINC000022516209 570319390 /nfs/dbraw/zinc/31/93/90/570319390.db2.gz XTPGQMBMLITVMU-AWEZNQCLSA-N 1 0 377.315 5.478 40 0 GKABRO CC(C)[N@@H+]1CC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585262851 570320558 /nfs/dbraw/zinc/32/05/58/570320558.db2.gz LWIROSAINAPYRM-QGZVFWFLSA-N 1 0 396.535 5.361 40 0 GKABRO C[C@H]([NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022076563 570320961 /nfs/dbraw/zinc/32/09/61/570320961.db2.gz RXJHWJVVFQJHSU-RNODOKPDSA-N 1 0 376.283 5.465 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022074323 570321368 /nfs/dbraw/zinc/32/13/68/570321368.db2.gz OQVJCQHVXYVRJL-UHFFFAOYSA-N 1 0 387.932 5.321 40 0 GKABRO CC[NH+](CC)CCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022075817 570321609 /nfs/dbraw/zinc/32/16/09/570321609.db2.gz FQZVJFCGSWZQJS-UHFFFAOYSA-N 1 0 381.347 5.004 40 0 GKABRO CC[NH+](CC)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022075805 570321663 /nfs/dbraw/zinc/32/16/63/570321663.db2.gz OMPICHRJKAETSP-UHFFFAOYSA-N 1 0 381.347 5.004 40 0 GKABRO CC[NH+](CC)CCNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022075229 570321731 /nfs/dbraw/zinc/32/17/31/570321731.db2.gz JZXRGXKKJRVTKY-UHFFFAOYSA-N 1 0 396.962 5.504 40 0 GKABRO Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044905750 570322623 /nfs/dbraw/zinc/32/26/23/570322623.db2.gz BMEZBAFJWSWZDW-ICSRJNTNSA-N 1 0 384.951 5.046 40 0 GKABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cccc(Cc4ccccc4)n3)CC2)cc1 ZINC000072349934 570339078 /nfs/dbraw/zinc/33/90/78/570339078.db2.gz NIGLHDZPKKRVIL-UHFFFAOYSA-N 1 0 399.538 5.010 40 0 GKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915670 570366984 /nfs/dbraw/zinc/36/69/84/570366984.db2.gz RJNGJYWAIUJHOJ-BAVCMNQCSA-N 1 0 387.696 7.435 40 0 in-vitro GKABRO C[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004375784 570372113 /nfs/dbraw/zinc/37/21/13/570372113.db2.gz NTQGEZJOMVFLMK-URPHZZJISA-N 1 0 375.487 5.468 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cccc2ccc(Cl)cc21 ZINC000004416723 570374438 /nfs/dbraw/zinc/37/44/38/570374438.db2.gz UEQCXAIDBHGCNR-DEOSSOPVSA-N 1 0 390.011 6.989 40 0 GKABRO C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC/C(=C\[NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004792014 570406018 /nfs/dbraw/zinc/40/60/18/570406018.db2.gz WPOIDUGUNBOEGE-BNYHQQKQSA-N 1 0 385.636 6.150 40 0 GKABRO CCN(CC)c1ccc(C(=O)O[C@H](C)C[NH2+]C[C@H](C)CCCC(C)C)cc1 ZINC000004825151 570409141 /nfs/dbraw/zinc/40/91/41/570409141.db2.gz KAKICIFUBJBXAZ-WOJBJXKFSA-N 1 0 376.585 5.130 40 0 GKABRO CCCOc1ccc(/C(=C\C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934887 570418623 /nfs/dbraw/zinc/41/86/23/570418623.db2.gz CCSKXBHTRMLWPQ-XAWVIIIXSA-N 1 0 375.556 6.029 40 0 GKABRO C[C@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118917270 570422518 /nfs/dbraw/zinc/42/25/18/570422518.db2.gz JVKYZPBMZPJNAJ-JVSYKBKBSA-N 1 0 397.647 5.655 40 0 GKABRO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000222800035 570426462 /nfs/dbraw/zinc/42/64/62/570426462.db2.gz WFVZWEPTGANQHC-UHFFFAOYSA-N 1 0 392.930 5.022 40 0 GKABRO O=C(NCc1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222813504 570427081 /nfs/dbraw/zinc/42/70/81/570427081.db2.gz PLEGMWXGZOAMCJ-JOCHJYFZSA-N 1 0 392.930 5.022 40 0 GKABRO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000222876168 570429773 /nfs/dbraw/zinc/42/97/73/570429773.db2.gz HMTJBVWADINCPL-UHFFFAOYSA-N 1 0 392.930 5.022 40 0 GKABRO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222889781 570430260 /nfs/dbraw/zinc/43/02/60/570430260.db2.gz HTFWUPVOLRVGEM-OAQYLSRUSA-N 1 0 392.930 5.022 40 0 GKABRO CCCC[C@@H](CC)C[C@@H](CC)C[N@@H+](CCO)C[C@@H](CC)C[C@@H](CC)CCCC ZINC000005298570 570433653 /nfs/dbraw/zinc/43/36/53/570433653.db2.gz BZWSJGSYMPLHGS-POYMRFPPSA-N 1 0 397.732 7.546 40 0 GKABRO Cc1ccc(C[C@]2(C)[NH2+][C@@H](c3ccccc3)C(C)=C[C@@H]2[C@H](O)CC(C)C)nc1 ZINC000005389732 570437094 /nfs/dbraw/zinc/43/70/94/570437094.db2.gz SNEWFNDFZYCYJL-VPBXCIAMSA-N 1 0 378.560 5.005 40 0 GKABRO Cc1ccc(C[C@@]2(C)[NH2+][C@@H](c3ccccc3)C(C)=C[C@H]2[C@H](O)CC(C)C)nc1 ZINC000005389729 570437314 /nfs/dbraw/zinc/43/73/14/570437314.db2.gz SNEWFNDFZYCYJL-ZYQDXHPFSA-N 1 0 378.560 5.005 40 0 GKABRO COc1ccc(C[C@]2(C)Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N2)cc1 ZINC000006795850 570438797 /nfs/dbraw/zinc/43/87/97/570438797.db2.gz DCAPFEPXFYKQPL-DHIUTWEWSA-N 1 0 378.903 5.412 40 0 GKABRO CC(C)[NH+](C[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1)C(C)C ZINC000005455039 570440487 /nfs/dbraw/zinc/44/04/87/570440487.db2.gz JFCLMTIMGUTHPR-SANMLTNESA-N 1 0 387.567 5.825 40 0 GKABRO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039773410 570446449 /nfs/dbraw/zinc/44/64/49/570446449.db2.gz QTHDIJFGHIWXPZ-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039768355 570446620 /nfs/dbraw/zinc/44/66/20/570446620.db2.gz VSVGMIQIAAYEHL-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000039747624 570446910 /nfs/dbraw/zinc/44/69/10/570446910.db2.gz ICRYLIWQUBRQFO-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000039742528 570446989 /nfs/dbraw/zinc/44/69/89/570446989.db2.gz UYOSIPZLKKUPGN-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO O=C(C[C@H]([NH2+]C1CCCCC1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000005684824 570451350 /nfs/dbraw/zinc/45/13/50/570451350.db2.gz XGOHJZKIUXIPQR-NRFANRHFSA-N 1 0 375.468 5.029 40 0 GKABRO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220689 570452625 /nfs/dbraw/zinc/45/26/25/570452625.db2.gz PPMNAZBZKZOOGX-MRXNPFEDSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220924 570452661 /nfs/dbraw/zinc/45/26/61/570452661.db2.gz GFVHAXJDPCZWTP-INIZCTEOSA-N 1 0 377.315 5.153 40 0 GKABRO CCCCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220411 570452808 /nfs/dbraw/zinc/45/28/08/570452808.db2.gz ZYDHNFVMWDMPNL-FQEVSTJZSA-N 1 0 384.951 5.533 40 0 GKABRO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220408 570452835 /nfs/dbraw/zinc/45/28/35/570452835.db2.gz ZYDHNFVMWDMPNL-HXUWFJFHSA-N 1 0 384.951 5.533 40 0 GKABRO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000035289773 570455305 /nfs/dbraw/zinc/45/53/05/570455305.db2.gz ZNAUKODTZWVNAR-SEJPIABJSA-N 1 0 397.563 5.006 40 0 GKABRO Cc1ccc2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4)c3)nc2c1 ZINC000226308365 570459463 /nfs/dbraw/zinc/45/94/63/570459463.db2.gz NBXSHPSAEDLNPO-UHFFFAOYSA-N 1 0 398.255 5.041 40 0 GKABRO CC[C@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000005932910 570462119 /nfs/dbraw/zinc/46/21/19/570462119.db2.gz VFFBJZCCXOYRNN-CLJLJLNGSA-N 1 0 389.539 5.057 40 0 GKABRO COc1ccccc1-c1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(C)C)cc1 ZINC000035316524 570469898 /nfs/dbraw/zinc/46/98/98/570469898.db2.gz DNGNTHBBXXULHN-IBGZPJMESA-N 1 0 399.538 6.144 40 0 GKABRO O[C@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1cccc2ccccc21 ZINC000006580874 570483936 /nfs/dbraw/zinc/48/39/36/570483936.db2.gz LWZPKJSREFRJAN-IGSWUVHTSA-N 1 0 399.578 5.782 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1 ZINC000030758702 570495705 /nfs/dbraw/zinc/49/57/05/570495705.db2.gz UBWKNFCZIPKSAZ-UHFFFAOYSA-N 1 0 377.315 5.478 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000006857337 570497017 /nfs/dbraw/zinc/49/70/17/570497017.db2.gz RIIZQAHMHGNRPA-UHFFFAOYSA-N 1 0 393.546 6.862 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000006857439 570497170 /nfs/dbraw/zinc/49/71/70/570497170.db2.gz SOZMKKMKPCMDIZ-UHFFFAOYSA-N 1 0 394.386 6.877 40 0 GKABRO CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000006883127 570498357 /nfs/dbraw/zinc/49/83/57/570498357.db2.gz JGDNRLBXMNRJNU-UHFFFAOYSA-N 1 0 388.722 5.086 40 0 GKABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccccc1F ZINC000006959941 570499782 /nfs/dbraw/zinc/49/97/82/570499782.db2.gz KJLFMUMFLZAUPQ-UHFFFAOYSA-N 1 0 377.887 5.489 40 0 GKABRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030938665 570501270 /nfs/dbraw/zinc/50/12/70/570501270.db2.gz DGMJHJREIJGBQG-AWEZNQCLSA-N 1 0 397.733 5.498 40 0 GKABRO CCCCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030938188 570501570 /nfs/dbraw/zinc/50/15/70/570501570.db2.gz CSBGTWYLVQFRMK-FQEVSTJZSA-N 1 0 384.951 5.533 40 0 GKABRO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030945414 570501986 /nfs/dbraw/zinc/50/19/86/570501986.db2.gz BNDNJIRQOCSJHP-AWEZNQCLSA-N 1 0 397.733 5.498 40 0 GKABRO CCCCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000007261008 570502026 /nfs/dbraw/zinc/50/20/26/570502026.db2.gz CVSZJNMDZUGLQR-UHFFFAOYSA-N 1 0 379.903 5.737 40 0 GKABRO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000007261247 570502194 /nfs/dbraw/zinc/50/21/94/570502194.db2.gz WSQSBBRXGIHKQM-UHFFFAOYSA-N 1 0 382.331 5.861 40 0 GKABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCCC2)cc1 ZINC000007523425 570507021 /nfs/dbraw/zinc/50/70/21/570507021.db2.gz XGSREVVKJKTSGM-UHFFFAOYSA-N 1 0 391.530 6.760 40 0 GKABRO Clc1ccc(Cl)c(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)c1 ZINC000007524459 570507121 /nfs/dbraw/zinc/50/71/21/570507121.db2.gz USXABSLHTCOFBO-UHFFFAOYSA-N 1 0 376.327 6.168 40 0 GKABRO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008253987 570525568 /nfs/dbraw/zinc/52/55/68/570525568.db2.gz NJWZRDAAUALGLU-UHFFFAOYSA-N 1 0 391.914 5.879 40 0 GKABRO CCOc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccccc1 ZINC000008254086 570526069 /nfs/dbraw/zinc/52/60/69/570526069.db2.gz STVGYXLWVCBQCO-UHFFFAOYSA-N 1 0 387.932 5.669 40 0 GKABRO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254569 570526155 /nfs/dbraw/zinc/52/61/55/570526155.db2.gz NAYZAAPXMCKTPR-UHFFFAOYSA-N 1 0 394.342 6.003 40 0 GKABRO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000008254516 570526180 /nfs/dbraw/zinc/52/61/80/570526180.db2.gz JNJCIHULHZXRTK-UHFFFAOYSA-N 1 0 387.951 6.130 40 0 GKABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000008254061 570526253 /nfs/dbraw/zinc/52/62/53/570526253.db2.gz PKGJKKIAJPXUNU-UHFFFAOYSA-N 1 0 387.951 6.130 40 0 GKABRO C[NH+](C)CCCNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008373822 570529672 /nfs/dbraw/zinc/52/96/72/570529672.db2.gz YMWQRYFTHDAYCT-UHFFFAOYSA-N 1 0 382.935 5.114 40 0 GKABRO Cc1ccc2nc(Nc3ccc(Cl)cc3)cc([C@@H](O)[C@H]3CCCC[NH2+]3)c2c1 ZINC000001597063 570531721 /nfs/dbraw/zinc/53/17/21/570531721.db2.gz OPHSUDOCLFJDKP-IFMALSPDSA-N 1 0 381.907 5.116 40 0 GKABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000008471361 570532042 /nfs/dbraw/zinc/53/20/42/570532042.db2.gz YSXJQZSNXNSJSC-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000008471733 570532396 /nfs/dbraw/zinc/53/23/96/570532396.db2.gz XTVREFDUPRGGBN-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(F)cc1 ZINC000008495345 570532856 /nfs/dbraw/zinc/53/28/56/570532856.db2.gz UUXWVBHKQIDXFH-UHFFFAOYSA-N 1 0 395.518 5.472 40 0 GKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008534250 570533199 /nfs/dbraw/zinc/53/31/99/570533199.db2.gz ZTHYRSPMRXISLR-KRWDZBQOSA-N 1 0 381.903 5.778 40 0 GKABRO C[C@H]([NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000008534270 570533324 /nfs/dbraw/zinc/53/33/24/570533324.db2.gz KOTUOYWTMPELMV-INIZCTEOSA-N 1 0 386.322 6.423 40 0 GKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000008535324 570533437 /nfs/dbraw/zinc/53/34/37/570533437.db2.gz DGHMGMLVROPEJG-MRXNPFEDSA-N 1 0 399.893 5.918 40 0 GKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225503431 570581108 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Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000038849663 570587825 /nfs/dbraw/zinc/58/78/25/570587825.db2.gz UBJNHDWSTLKBSW-INIZCTEOSA-N 1 0 377.315 5.153 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000038860483 570588803 /nfs/dbraw/zinc/58/88/03/570588803.db2.gz OVVSWYDLGPNPMA-OAHLLOKOSA-N 1 0 376.422 5.190 40 0 GKABRO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038860480 570588813 /nfs/dbraw/zinc/58/88/13/570588813.db2.gz FKJXTQJFSSHJDA-UHFFFAOYSA-N 1 0 376.422 5.334 40 0 GKABRO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccc(C)n3)on2)cc1 ZINC000012088741 570607291 /nfs/dbraw/zinc/60/72/91/570607291.db2.gz ITKJIEVMLLDIAR-JOCHJYFZSA-N 1 0 377.488 5.171 40 0 GKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225749460 570612894 /nfs/dbraw/zinc/61/28/94/570612894.db2.gz HXNQPNTXJXWPGO-HSZRJFAPSA-N 1 0 392.584 5.111 40 0 GKABRO CCCCC[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)CCCC ZINC000004712854 570636366 /nfs/dbraw/zinc/63/63/66/570636366.db2.gz WEOCXFUEIUWOBH-HVWQDESWSA-N 1 0 393.615 6.922 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000044856410 570636529 /nfs/dbraw/zinc/63/65/29/570636529.db2.gz DFQPVZVYTTUBIP-NRFANRHFSA-N 1 0 398.550 5.353 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856668 570637097 /nfs/dbraw/zinc/63/70/97/570637097.db2.gz DFTKXJDRMSSCMA-HSZRJFAPSA-N 1 0 398.978 5.436 40 0 GKABRO CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873264 570637567 /nfs/dbraw/zinc/63/75/67/570637567.db2.gz CFIUCLIMIXRENW-DTQAZKPQSA-N 1 0 390.571 5.300 40 0 GKABRO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C ZINC000004857215 570638502 /nfs/dbraw/zinc/63/85/02/570638502.db2.gz FQBNDSJMJYUEHD-FRIKZZABSA-N 1 0 393.600 5.176 40 0 GKABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000044906062 570641571 /nfs/dbraw/zinc/64/15/71/570641571.db2.gz HUOYBFMVBONZAO-GHTZIAJQSA-N 1 0 396.550 5.213 40 0 GKABRO Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044905746 570641632 /nfs/dbraw/zinc/64/16/32/570641632.db2.gz BMEZBAFJWSWZDW-AZUAARDMSA-N 1 0 384.951 5.046 40 0 GKABRO CC(C)c1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000004883292 570642892 /nfs/dbraw/zinc/64/28/92/570642892.db2.gz UEUCDHQCMWKELY-SEJPIABJSA-N 1 0 397.588 5.579 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000044935045 570643812 /nfs/dbraw/zinc/64/38/12/570643812.db2.gz GOKIVNUZCNTYBF-OAQYLSRUSA-N 1 0 398.550 5.353 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000044934911 570643820 /nfs/dbraw/zinc/64/38/20/570643820.db2.gz UIGJGULEQWNBSX-SFHVURJKSA-N 1 0 384.951 5.046 40 0 GKABRO CC(C)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044936637 570644232 /nfs/dbraw/zinc/64/42/32/570644232.db2.gz OAYUPJZVXUAENB-FYYLOGMGSA-N 1 0 398.978 5.456 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935745 570644249 /nfs/dbraw/zinc/64/42/49/570644249.db2.gz HUQNZDWSIBWNBN-QFIPXVFZSA-N 1 0 384.951 5.128 40 0 GKABRO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000044936853 570644318 /nfs/dbraw/zinc/64/43/18/570644318.db2.gz KNKGKPDXWDMKPR-HSZRJFAPSA-N 1 0 398.978 5.456 40 0 GKABRO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044938613 570644850 /nfs/dbraw/zinc/64/48/50/570644850.db2.gz PGBISCDCLANXHX-UHFFFAOYSA-N 1 0 388.964 5.303 40 0 GKABRO CCSc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044938510 570644933 /nfs/dbraw/zinc/64/49/33/570644933.db2.gz YXZLIURYEXPDHR-QGZVFWFLSA-N 1 0 388.964 5.303 40 0 GKABRO CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(C[NH2+]C3CCCCC3)cc12 ZINC000005001330 570651716 /nfs/dbraw/zinc/65/17/16/570651716.db2.gz SMSIJTGURQLIAN-UHFFFAOYSA-N 1 0 396.966 5.794 40 0 GKABRO CC(C)[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005002473 570652362 /nfs/dbraw/zinc/65/23/62/570652362.db2.gz XANBEVHQLOSTKB-NFGXINMFSA-N 1 0 385.551 5.965 40 0 GKABRO COc1ccccc1[C@@]1(CC[NH2+][C@@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000005390649 570661102 /nfs/dbraw/zinc/66/11/02/570661102.db2.gz GGDMXKFAUIDFMO-AMDXRBSFSA-N 1 0 381.560 5.509 40 0 GKABRO C[NH2+]C1CCC(Cc2cccc(Nc3ncc(-c4ccc(F)cc4)s3)n2)CC1 ZINC000585263012 570714921 /nfs/dbraw/zinc/71/49/21/570714921.db2.gz VCCWPXGLOQOZNJ-UHFFFAOYSA-N 1 0 396.535 5.409 40 0 GKABRO C[NH2+]C1CCC(Cc2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263119 570715565 /nfs/dbraw/zinc/71/55/65/570715565.db2.gz MEIAWWUHZUZPCJ-UHFFFAOYSA-N 1 0 378.545 5.269 40 0 GKABRO COc1ccccc1[C@@]1(CC[NH2+][C@H](C)c2cccs2)CCO[C@H](C(C)C)C1 ZINC000102713029 570721052 /nfs/dbraw/zinc/72/10/52/570721052.db2.gz CEYBVEUXOMNZSU-JZWVFAODSA-N 1 0 387.589 5.570 40 0 GKABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 ZINC000006949625 570751312 /nfs/dbraw/zinc/75/13/12/570751312.db2.gz LVYYXUCZWFFGMP-UHFFFAOYSA-N 1 0 394.559 5.594 40 0 GKABRO CCn1c2ccccc2c2cc(C[NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)ccc21 ZINC000006871201 570752282 /nfs/dbraw/zinc/75/22/82/570752282.db2.gz GGLNEXXMJKCKFV-PYMPDBRZSA-N 1 0 386.583 6.509 40 0 GKABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)cc1 ZINC000007519689 570760127 /nfs/dbraw/zinc/76/01/27/570760127.db2.gz FMTRZVGTORTSTD-UHFFFAOYSA-N 1 0 379.500 5.038 40 0 GKABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)o2)cc1 ZINC000007538773 570760417 /nfs/dbraw/zinc/76/04/17/570760417.db2.gz SVLMXDQWPJBCDV-FXOOJFCESA-N 1 0 393.527 5.572 40 0 GKABRO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254564 570766329 /nfs/dbraw/zinc/76/63/29/570766329.db2.gz IFCLBMYUYDOLKI-UHFFFAOYSA-N 1 0 382.331 5.859 40 0 GKABRO C[C@@H]([NH2+]Cc1ccccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534889 570769895 /nfs/dbraw/zinc/76/98/95/570769895.db2.gz IDMJCIBTXGCIMH-VIAIDJOKSA-N 1 0 393.546 6.099 40 0 GKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013668940 570769844 /nfs/dbraw/zinc/76/98/44/570769844.db2.gz CVGZYELWLCXMEL-LJQANCHMSA-N 1 0 378.560 5.461 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534868 570769948 /nfs/dbraw/zinc/76/99/48/570769948.db2.gz HBQUUASRJRNCPQ-KQUUOAGESA-N 1 0 375.556 5.960 40 0 GKABRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000008534235 570769950 /nfs/dbraw/zinc/76/99/50/570769950.db2.gz NXGGMAMYLDTACV-NSHDSACASA-N 1 0 399.126 5.071 40 0 GKABRO COc1c(Br)cc(Br)cc1C[NH2+]C1CCCCCC1 ZINC000008469463 570770371 /nfs/dbraw/zinc/77/03/71/570770371.db2.gz XJYQFVLLUHZBGN-UHFFFAOYSA-N 1 0 391.147 5.033 40 0 GKABRO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009062646 570773973 /nfs/dbraw/zinc/77/39/73/570773973.db2.gz WVKZARLWHNAEQQ-SFHVURJKSA-N 1 0 384.951 5.046 40 0 GKABRO O=C(NCCC[NH+]1CCCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000010111108 570781903 /nfs/dbraw/zinc/78/19/03/570781903.db2.gz VYVSJWORWYDHCF-ZBJSNUHESA-N 1 0 396.962 5.263 40 0 GKABRO O=C(Nc1ccccc1Oc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010326014 570789276 /nfs/dbraw/zinc/78/92/76/570789276.db2.gz NYTIPERMIWDHAJ-UHFFFAOYSA-N 1 0 386.495 5.717 40 0 GKABRO Fc1ccc(C[NH2+]Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000016399629 570924126 /nfs/dbraw/zinc/92/41/26/570924126.db2.gz PTMCVORLERKPFZ-UHFFFAOYSA-N 1 0 390.285 6.001 40 0 GKABRO CC1=C[C@H](C)[C@H](CN2CC[N@H+](C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000019325800 570925223 /nfs/dbraw/zinc/92/52/23/570925223.db2.gz VQHCAYWQEPUJSF-HKWQVNNCSA-N 1 0 386.668 6.063 40 0 GKABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]C2CCCCCC2)c1 ZINC000016480505 570925995 /nfs/dbraw/zinc/92/59/95/570925995.db2.gz VMLFPDYYOHVCGK-UHFFFAOYSA-N 1 0 388.349 5.841 40 0 GKABRO CC[NH+](CC)CCN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000019898165 570931730 /nfs/dbraw/zinc/93/17/30/570931730.db2.gz NODDJZDTTAXVGC-VWLOTQADSA-N 1 0 393.619 5.724 40 0 GKABRO Clc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c(Br)c1 ZINC000020158504 570942463 /nfs/dbraw/zinc/94/24/63/570942463.db2.gz SDPUBIZRGAPBTB-UHFFFAOYSA-N 1 0 376.681 5.652 40 0 GKABRO CCc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000036614395 570943033 /nfs/dbraw/zinc/94/30/33/570943033.db2.gz INNVAFCCUUWNAL-XWGVYQGASA-N 1 0 399.962 5.476 40 0 GKABRO CN1CC[NH+](Cc2c(-c3ccccc3)c(-c3ccccc3)c3ccccn32)CC1 ZINC000019681892 570950915 /nfs/dbraw/zinc/95/09/15/570950915.db2.gz DNTUJNHBAUJIIH-UHFFFAOYSA-N 1 0 381.523 5.021 40 0 GKABRO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@@H+]1CC1CCCCC1)c1ccccn1 ZINC000019081702 570956319 /nfs/dbraw/zinc/95/63/19/570956319.db2.gz OSGBAJHDRQKEEV-IFMALSPDSA-N 1 0 385.596 5.110 40 0 GKABRO c1ccc(Cn2c3ccccc3c3c2[C@@]2(c4ccccc4)CCC[N@@H+]2CC3)cc1 ZINC000021963909 570961288 /nfs/dbraw/zinc/96/12/88/570961288.db2.gz VSWZVHRGFRBFBY-MHZLTWQESA-N 1 0 378.519 5.585 40 0 GKABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2cn(C)c3ccc(F)cc23)nc1 ZINC000019215602 570961877 /nfs/dbraw/zinc/96/18/77/570961877.db2.gz OJNFYENYBWXHPB-OAQYLSRUSA-N 1 0 379.504 5.156 40 0 GKABRO CC[C@@H](CO)[N@H+](Cc1sccc1C)Cc1c2cccnc2[nH]c1C(C)(C)C ZINC000019500409 570992514 /nfs/dbraw/zinc/99/25/14/570992514.db2.gz DXLKTAIWKFMUMT-INIZCTEOSA-N 1 0 385.577 5.003 40 0 GKABRO Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000090501528 570997333 /nfs/dbraw/zinc/99/73/33/570997333.db2.gz TYGUQXPQLFFAMR-DQEYMECFSA-N 1 0 387.523 5.813 40 0 GKABRO COc1ccc(C[N@H+](Cc2cccs2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554815 571002951 /nfs/dbraw/zinc/00/29/51/571002951.db2.gz OWDCGJPVXFZSQS-XZOQPEGZSA-N 1 0 397.515 5.081 40 0 GKABRO c1ccc(C[N@@H+]2CC[C@@H](C3CCN(c4nc5ccccc5s4)CC3)C2)cc1 ZINC000095951698 571095503 /nfs/dbraw/zinc/09/55/03/571095503.db2.gz MQSWFIWXVDTWDY-HXUWFJFHSA-N 1 0 377.557 5.035 40 0 GKABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096053028 571097575 /nfs/dbraw/zinc/09/75/75/571097575.db2.gz AGWRCVJRQXORIL-IBGZPJMESA-N 1 0 396.600 5.028 40 0 GKABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096053032 571097596 /nfs/dbraw/zinc/09/75/96/571097596.db2.gz GOHARUVZMNVZRC-FQEVSTJZSA-N 1 0 396.600 5.028 40 0 GKABRO O=C(Nc1ccc2ccccc2c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039762302 230928178 /nfs/dbraw/zinc/92/81/78/230928178.db2.gz IQHWANMSWFOEJG-UHFFFAOYSA-N 1 0 378.903 5.344 40 0 GKABRO C[C@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118940017 231024307 /nfs/dbraw/zinc/02/43/07/231024307.db2.gz DCQBOIHKCBTVFH-WODNVCPHSA-N 1 0 397.647 5.943 40 0 GKABRO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118940016 231024101 /nfs/dbraw/zinc/02/41/01/231024101.db2.gz DCQBOIHKCBTVFH-FRPQECDISA-N 1 0 397.647 5.943 40 0 GKABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)o1 ZINC000019238734 210235987 /nfs/dbraw/zinc/23/59/87/210235987.db2.gz YCAVRCXKOQIEDG-UHFFFAOYSA-N 1 0 390.512 5.034 40 0 GKABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]CCc2ccccc2)c1 ZINC000016479343 210191263 /nfs/dbraw/zinc/19/12/63/210191263.db2.gz WTWVWUUOPWHRKE-UHFFFAOYSA-N 1 0 386.322 5.905 40 0 GKABRO Fc1cccc(C[N@H+]2CC=C(c3nc4cc(-c5ccccc5)ccc4o3)CC2)c1 ZINC000226307944 222705427 /nfs/dbraw/zinc/70/54/27/222705427.db2.gz GNPXLZJUWORQPT-UHFFFAOYSA-N 1 0 384.454 5.923 40 0 GKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000007261230 209725882 /nfs/dbraw/zinc/72/58/82/209725882.db2.gz FVKSSGCGTSEQAX-UHFFFAOYSA-N 1 0 392.337 5.317 40 0 GKABRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(OC)c2nc(C)cc(Cl)c2c1OC ZINC000001563141 209332242 /nfs/dbraw/zinc/33/22/42/209332242.db2.gz XEJLOJARJXBMBU-CQSZACIVSA-N 1 0 393.959 5.136 40 0 GKABRO CC/C(=C(\c1ccc(OCC[NH+](C)C)cc1)c1cccc(O)c1)c1ccccc1 ZINC000001997217 209343938 /nfs/dbraw/zinc/34/39/38/209343938.db2.gz ZQZFYGIXNQKOAV-QPLCGJKRSA-N 1 0 387.523 5.702 40 0 GKABRO CC(C)CC(CC(C)C)[NH2+][C@H](C)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000001710592 209336330 /nfs/dbraw/zinc/33/63/30/209336330.db2.gz MOJUBIQDEUIUCW-OAQYLSRUSA-N 1 0 395.587 5.801 40 0 GKABRO CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001644123 212252002 /nfs/dbraw/zinc/25/20/02/212252002.db2.gz DAZWNIDEGHHIEQ-MHZLTWQESA-N 1 0 387.567 6.054 40 0 GKABRO COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](CC1(c2ccccc2)CC1)CC3 ZINC000001601636 212249923 /nfs/dbraw/zinc/24/99/23/212249923.db2.gz KHHFVXIAEOEQSX-DFZDUAMZSA-N 1 0 387.567 5.485 40 0 GKABRO C[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000004375771 204042183 /nfs/dbraw/zinc/04/21/83/204042183.db2.gz FTGMSKYZJVDEFA-KDTOMHBFSA-N 1 0 389.514 5.714 40 0 GKABRO CC(C)[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004863316 204083598 /nfs/dbraw/zinc/08/35/98/204083598.db2.gz QTRIGFJYNKGEIO-CQJMVLFOSA-N 1 0 389.514 5.761 40 0 GKABRO CC(C)CC(CC(C)C)[NH2+][C@@H](C)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000005962529 204160441 /nfs/dbraw/zinc/16/04/41/204160441.db2.gz MOJUBIQDEUIUCW-NRFANRHFSA-N 1 0 395.587 5.801 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000007260980 204237190 /nfs/dbraw/zinc/23/71/90/204237190.db2.gz IJDOMOCJUNDBLZ-UHFFFAOYSA-N 1 0 379.903 5.737 40 0 GKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008535305 204279904 /nfs/dbraw/zinc/27/99/04/204279904.db2.gz IIJBELHQTIIHJX-MRXNPFEDSA-N 1 0 399.893 5.918 40 0 GKABRO CC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000008227184 204267229 /nfs/dbraw/zinc/26/72/29/204267229.db2.gz FVCLVGWEQGDIIF-UHFFFAOYSA-N 1 0 388.722 5.734 40 0 GKABRO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1ccc(Cl)cc1Cl ZINC000008325984 204271704 /nfs/dbraw/zinc/27/17/04/204271704.db2.gz ZTIKFKUCXGWPJT-CQSZACIVSA-N 1 0 382.331 5.859 40 0 GKABRO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1ccc(Cl)cc1Cl ZINC000008326731 204272125 /nfs/dbraw/zinc/27/21/25/204272125.db2.gz ZTIKFKUCXGWPJT-AWEZNQCLSA-N 1 0 382.331 5.859 40 0 GKABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1c(F)cccc1Cl ZINC000008471323 204276822 /nfs/dbraw/zinc/27/68/22/204276822.db2.gz AAURXHBVYBDIAW-UHFFFAOYSA-N 1 0 377.887 5.489 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000008471915 204277086 /nfs/dbraw/zinc/27/70/86/204277086.db2.gz PKEFFHCXCPLUCC-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000008474488 204278199 /nfs/dbraw/zinc/27/81/99/204278199.db2.gz SBEYEGCMLNSWBF-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000008535347 204279228 /nfs/dbraw/zinc/27/92/28/204279228.db2.gz WPHRQDWLEVNQJR-QGZVFWFLSA-N 1 0 381.903 5.778 40 0 GKABRO C[C@H]([NH2+]Cc1cc(Br)ccc1OCc1ccccc1)c1ccccc1 ZINC000008534239 204279624 /nfs/dbraw/zinc/27/96/24/204279624.db2.gz UEUWSKXKLHKNLL-KRWDZBQOSA-N 1 0 396.328 5.879 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000008535333 204279633 /nfs/dbraw/zinc/27/96/33/204279633.db2.gz FMDMCZDRWUYUBA-MRXNPFEDSA-N 1 0 386.322 6.423 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000038835045 205039459 /nfs/dbraw/zinc/03/94/59/205039459.db2.gz HFHSXKGEYHHBIQ-AWEZNQCLSA-N 1 0 377.315 5.478 40 0 GKABRO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000038850930 205040443 /nfs/dbraw/zinc/04/04/43/205040443.db2.gz JCDUQCKKSWSLAH-UHFFFAOYSA-N 1 0 390.571 5.158 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)C1 ZINC000038835564 205040964 /nfs/dbraw/zinc/04/09/64/205040964.db2.gz SZGGKDUPFUQGDS-CQSZACIVSA-N 1 0 377.315 5.478 40 0 GKABRO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[NH+]3CCCCC3)cc1)CC(C)(C)O2 ZINC000044855270 205088043 /nfs/dbraw/zinc/08/80/43/205088043.db2.gz TZAHEXAZCMWFBB-QFIPXVFZSA-N 1 0 392.543 5.013 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856667 205088290 /nfs/dbraw/zinc/08/82/90/205088290.db2.gz DFTKXJDRMSSCMA-QHCPKHFHSA-N 1 0 398.978 5.436 40 0 GKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000044871909 205088617 /nfs/dbraw/zinc/08/86/17/205088617.db2.gz PNOIQMYMJVKLKK-UHFFFAOYSA-N 1 0 384.479 5.112 40 0 GKABRO CC(C)C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000044936988 205090445 /nfs/dbraw/zinc/09/04/45/205090445.db2.gz OIMZMXHIXJJLCX-YKSBVNFPSA-N 1 0 378.560 5.436 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934752 205091395 /nfs/dbraw/zinc/09/13/95/205091395.db2.gz ALHFAOPHNIFHSO-AZUAARDMSA-N 1 0 384.951 5.046 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(C)cc1 ZINC000044935760 205091734 /nfs/dbraw/zinc/09/17/34/205091734.db2.gz POMXIKTWDPZVMH-JOCHJYFZSA-N 1 0 384.951 5.128 40 0 GKABRO Clc1ccc(Cc2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348871 205330907 /nfs/dbraw/zinc/33/09/07/205330907.db2.gz LXDCMKZKFOVOKG-FQEVSTJZSA-N 1 0 377.919 5.100 40 0 GKABRO Clc1ccc(CC[NH2+]Cc2cc3sccc3n2CC2CCCCC2)cc1 ZINC000057719325 211774923 /nfs/dbraw/zinc/77/49/23/211774923.db2.gz UWAUSRQJBMMKTC-UHFFFAOYSA-N 1 0 386.992 6.269 40 0 GKABRO Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000008636071 205794833 /nfs/dbraw/zinc/79/48/33/205794833.db2.gz GYKXJBFAWFYJFV-FGZHOGPDSA-N 1 0 386.543 5.209 40 0 biogenic,in-vitro GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000224527905 206022277 /nfs/dbraw/zinc/02/22/77/206022277.db2.gz ZMLAPITWLZQOEQ-UHFFFAOYSA-N 1 0 384.523 5.098 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)c1 ZINC000224529949 206022423 /nfs/dbraw/zinc/02/24/23/206022423.db2.gz MTGMAAYHWKTSQE-UHFFFAOYSA-N 1 0 384.523 5.098 40 0 GKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225703602 206068548 /nfs/dbraw/zinc/06/85/48/206068548.db2.gz GJTMPWFVXIWTJJ-QHCPKHFHSA-N 1 0 392.584 5.111 40 0 GKABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)c1 ZINC000257201189 206158374 /nfs/dbraw/zinc/15/83/74/206158374.db2.gz AGRPCNZVUIQDRC-NRFANRHFSA-N 1 0 392.493 5.639 40 0 GKABRO CC(C)C[N@H+](Cc1cccc(F)c1)[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCCC[C@@H]21 ZINC000257246518 206167076 /nfs/dbraw/zinc/16/70/76/206167076.db2.gz IULGOQSZBVCWPU-RSYZFUPGSA-N 1 0 395.562 6.373 40 0 GKABRO CC[N@H+](C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 ZINC000026780334 206253498 /nfs/dbraw/zinc/25/34/98/206253498.db2.gz TUQOGILPLXCTIJ-QFIPXVFZSA-N 1 0 389.624 5.795 40 0 GKABRO Cc1ccc2nc(Nc3ccc(Cl)cc3)cc([C@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000001597064 206386915 /nfs/dbraw/zinc/38/69/15/206386915.db2.gz OPHSUDOCLFJDKP-UNMCSNQZSA-N 1 0 381.907 5.116 40 0 GKABRO O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12)[C@H]1CCCC[NH2+]1 ZINC000001673180 206388914 /nfs/dbraw/zinc/38/89/14/206388914.db2.gz GOVNXGKKGVVELA-NQIIRXRSSA-N 1 0 387.310 5.384 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1c(Cl)ccc2ccccc21 ZINC000005973024 206636926 /nfs/dbraw/zinc/63/69/26/206636926.db2.gz MLKUUXACZYEZNJ-HSZRJFAPSA-N 1 0 390.011 6.989 40 0 GKABRO O=C(Nc1ccccc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096214632 211320509 /nfs/dbraw/zinc/32/05/09/211320509.db2.gz AIHATYLWQGRURD-JOCHJYFZSA-N 1 0 383.923 5.003 40 0 GKABRO c1cc(-c2nnc([C@@H]3CCCCN3Cc3ccnc4ccccc34)o2)cs1 ZINC000072390158 211107830 /nfs/dbraw/zinc/10/78/30/211107830.db2.gz NBVSCQQHHJUEII-IBGZPJMESA-N 1 0 376.485 5.074 40 0 GKABRO c1ccc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072376041 211105261 /nfs/dbraw/zinc/10/52/61/211105261.db2.gz AYFXDHLDZMPMPH-OAQYLSRUSA-N 1 0 395.510 5.148 40 0 GKABRO c1ccc(Nc2ccc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)nc2)nc1 ZINC000072374249 211104933 /nfs/dbraw/zinc/10/49/33/211104933.db2.gz FVKWPWYCMUQUDC-UHFFFAOYSA-N 1 0 395.510 5.148 40 0 GKABRO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358330 211098818 /nfs/dbraw/zinc/09/88/18/211098818.db2.gz HZYZHIUCWCPYOW-MRXNPFEDSA-N 1 0 375.438 5.284 40 0 GKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 ZINC000072358109 211098624 /nfs/dbraw/zinc/09/86/24/211098624.db2.gz KIZFIDYXOQWWQU-AREMUKBSSA-N 1 0 399.538 5.276 40 0 GKABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3OC)n2)cc1 ZINC000072357534 211098298 /nfs/dbraw/zinc/09/82/98/211098298.db2.gz RZAVYUIVJGCCPJ-XMMPIXPASA-N 1 0 388.511 5.027 40 0 GKABRO CCCCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000007260948 206706711 /nfs/dbraw/zinc/70/67/11/206706711.db2.gz DDQKHSUCUMRNIL-UHFFFAOYSA-N 1 0 381.947 6.742 40 0 GKABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000008254101 206743289 /nfs/dbraw/zinc/74/32/89/206743289.db2.gz UPIQNTNUKTWHEH-UHFFFAOYSA-N 1 0 382.331 5.859 40 0 GKABRO CC[C@@H](C)[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008325884 206746995 /nfs/dbraw/zinc/74/69/95/206746995.db2.gz FLCBOYPCKIITSV-CYBMUJFWSA-N 1 0 396.300 5.064 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000044934909 210820274 /nfs/dbraw/zinc/82/02/74/210820274.db2.gz UIGJGULEQWNBSX-GOSISDBHSA-N 1 0 384.951 5.046 40 0 GKABRO CC[NH+](CC)CCN(Cc1ccc2c(c1)CCC2)Cc1ccc2c(c1)CCC2 ZINC000019366070 207117921 /nfs/dbraw/zinc/11/79/21/207117921.db2.gz RWAGCBFLBDERCG-UHFFFAOYSA-N 1 0 376.588 5.008 40 0 GKABRO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)c(C)n1 ZINC000019524544 207127911 /nfs/dbraw/zinc/12/79/11/207127911.db2.gz SXKAXVMUPZZEDV-OAQYLSRUSA-N 1 0 382.483 5.123 40 0 GKABRO CCn1ncc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)c1C ZINC000019523953 207128012 /nfs/dbraw/zinc/12/80/12/207128012.db2.gz BMYGCSBYNRXLEG-NRFANRHFSA-N 1 0 382.483 5.123 40 0 GKABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)c(C)n1 ZINC000019686998 207148470 /nfs/dbraw/zinc/14/84/70/207148470.db2.gz QQQBFQSAVWAPBD-VWLOTQADSA-N 1 0 388.559 5.151 40 0 GKABRO O=C(c1ccccc1)[C@@H]([C@H](c1cccs1)[NH+]1CCCCC1)N1CCCCC1 ZINC000022032121 207244836 /nfs/dbraw/zinc/24/48/36/207244836.db2.gz RNVACNZJXVZXMZ-FCHUYYIVSA-N 1 0 382.573 5.013 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000044936817 207647454 /nfs/dbraw/zinc/64/74/54/207647454.db2.gz QZTPFQRPYXTMOD-DEOSSOPVSA-N 1 0 378.560 5.111 40 0 GKABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375731 208009297 /nfs/dbraw/zinc/00/92/97/208009297.db2.gz OQFQNGUGHHEKPI-LJQANCHMSA-N 1 0 394.544 5.244 40 0 GKABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4cccc5cccnc54)CC3)o2)s1 ZINC000072389941 208011156 /nfs/dbraw/zinc/01/11/56/208011156.db2.gz DYNMGEOPPGNPMF-UHFFFAOYSA-N 1 0 390.512 5.034 40 0 GKABRO Fc1cccc(C[N@H+]2C[C@H](c3cc(C(F)F)n[nH]3)[C@@H](c3ccccc3)C2)c1F ZINC000072389758 208013143 /nfs/dbraw/zinc/01/31/43/208013143.db2.gz HRNBRBYDOOCVIY-CVEARBPZSA-N 1 0 389.396 5.009 40 0 GKABRO [NH3+]CCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000098175539 208369546 /nfs/dbraw/zinc/36/95/46/208369546.db2.gz AJHSTFZKUIQVAH-UHFFFAOYSA-N 1 0 375.581 6.231 40 0 GKABRO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020491197 210341402 /nfs/dbraw/zinc/34/14/02/210341402.db2.gz RTXHIEOWWNRSIN-AREMUKBSSA-N 1 0 396.534 5.052 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223068899 208891842 /nfs/dbraw/zinc/89/18/42/208891842.db2.gz AOSAUWUSYNLGBG-RUZDIDTESA-N 1 0 390.571 5.432 40 0 GKABRO COc1cc(C)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C(C)C ZINC000224540163 208928071 /nfs/dbraw/zinc/92/80/71/208928071.db2.gz BSCJNDMURJOQMI-UHFFFAOYSA-N 1 0 394.559 5.043 40 0 GKABRO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)CCCC ZINC000229951422 209004126 /nfs/dbraw/zinc/00/41/26/209004126.db2.gz WEOCXFUEIUWOBH-WKAQUBQDSA-N 1 0 393.615 6.922 40 0 GKABRO CCN(CC)c1ccc(C(=O)O[C@@H](C)C[NH2+]C[C@@H](C)CCCC(C)C)cc1 ZINC000004825146 220770660 /nfs/dbraw/zinc/77/06/60/220770660.db2.gz KAKICIFUBJBXAZ-PMACEKPBSA-N 1 0 376.585 5.130 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373136 209093719 /nfs/dbraw/zinc/09/37/19/209093719.db2.gz QTIQPXYWZPPBOB-JOCHJYFZSA-N 1 0 383.576 5.000 40 0 GKABRO c1ccc(Nc2cccc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2)nc1 ZINC000257222037 209057291 /nfs/dbraw/zinc/05/72/91/209057291.db2.gz DRQFXBJMTYZZQE-UHFFFAOYSA-N 1 0 395.510 5.148 40 0 GKABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253943 221032768 /nfs/dbraw/zinc/03/27/68/221032768.db2.gz FODIKOLBYKPALO-UHFFFAOYSA-N 1 0 394.342 6.003 40 0 GKABRO CCOc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccccc1 ZINC000008325498 221036544 /nfs/dbraw/zinc/03/65/44/221036544.db2.gz YNKCYRILXKKAQC-UHFFFAOYSA-N 1 0 391.555 5.579 40 0 GKABRO CCOc1ccc(Br)cc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008324594 221036811 /nfs/dbraw/zinc/03/68/11/221036811.db2.gz IILXPNXRPUIWSV-LFPRZYRFSA-N 1 0 392.381 5.542 40 0 GKABRO CC[C@H](C)[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008326620 221037276 /nfs/dbraw/zinc/03/72/76/221037276.db2.gz BYFHCIROPNRNFX-HNNXBMFYSA-N 1 0 388.338 6.614 40 0 GKABRO COc1ccc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1OC ZINC000008775634 221058076 /nfs/dbraw/zinc/05/80/76/221058076.db2.gz AOULSMBDQYESKK-QGZVFWFLSA-N 1 0 377.484 5.230 40 0 GKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1F ZINC000008472224 221042193 /nfs/dbraw/zinc/04/21/93/221042193.db2.gz ZWKHIFBVTOVTJQ-UHFFFAOYSA-N 1 0 395.518 5.328 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008470234 221042609 /nfs/dbraw/zinc/04/26/09/221042609.db2.gz JKROXCHHLQVQEK-UHFFFAOYSA-N 1 0 391.914 5.879 40 0 GKABRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497346 221042967 /nfs/dbraw/zinc/04/29/67/221042967.db2.gz HBQUUASRJRNCPQ-ABYRGBDGSA-N 1 0 375.556 5.960 40 0 GKABRO C[C@H](O)C[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008497856 221043244 /nfs/dbraw/zinc/04/32/44/221043244.db2.gz AQSMISLADGCHHH-AWEZNQCLSA-N 1 0 390.310 5.196 40 0 GKABRO COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccccc1Cl ZINC000008495590 221043831 /nfs/dbraw/zinc/04/38/31/221043831.db2.gz UFGAWYHOWAXRIA-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccco2)C1 ZINC000008624225 221047760 /nfs/dbraw/zinc/04/77/60/221047760.db2.gz PJSFSSYDLDJCSQ-TZIWHRDSSA-N 1 0 389.543 5.582 40 0 biogenic,in-vitro GKABRO Clc1ccc(COc2cccc(C[NH2+]Cc3cccs3)c2)c(Cl)c1 ZINC000016399632 221361927 /nfs/dbraw/zinc/36/19/27/221361927.db2.gz ARFSYQGBYBWTNM-UHFFFAOYSA-N 1 0 378.324 5.924 40 0 GKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccccc1C ZINC000016362798 221362059 /nfs/dbraw/zinc/36/20/59/221362059.db2.gz VLLUYCIBZWZKCE-UHFFFAOYSA-N 1 0 381.903 5.526 40 0 GKABRO Fc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401602 221362453 /nfs/dbraw/zinc/36/24/53/221362453.db2.gz VAWIWTLLZGGGKQ-UHFFFAOYSA-N 1 0 390.285 6.001 40 0 GKABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]Cc2cccs2)c1 ZINC000016450029 221363033 /nfs/dbraw/zinc/36/30/33/221363033.db2.gz WCHAGGDSHCWLLU-UHFFFAOYSA-N 1 0 378.324 5.924 40 0 GKABRO Clc1ccc(COc2ccc(C[NH2+]CCc3c[nH]c4ccccc34)cc2)cc1 ZINC000016525348 221364446 /nfs/dbraw/zinc/36/44/46/221364446.db2.gz WNUZVBPSEVHPOS-UHFFFAOYSA-N 1 0 390.914 5.733 40 0 GKABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCC2)cc1 ZINC000016525863 221364821 /nfs/dbraw/zinc/36/48/21/221364821.db2.gz GAQFABSSQHFOIC-UHFFFAOYSA-N 1 0 377.503 6.370 40 0 GKABRO CCCOc1ccc(/C(=C/C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000017378392 221384118 /nfs/dbraw/zinc/38/41/18/221384118.db2.gz CCSKXBHTRMLWPQ-BGTIHQIHSA-N 1 0 375.556 6.029 40 0 GKABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020459734 221490596 /nfs/dbraw/zinc/49/05/96/221490596.db2.gz PLCOOGRGFJADNP-DEOSSOPVSA-N 1 0 390.527 5.478 40 0 GKABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000257276133 209066577 /nfs/dbraw/zinc/06/65/77/209066577.db2.gz NSLOPCQNQKANQO-OAQYLSRUSA-N 1 0 386.499 5.214 40 0 GKABRO Cc1ccc2cc(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)c(=O)[nH]c2c1C ZINC000057718280 136153780 /nfs/dbraw/zinc/15/37/80/136153780.db2.gz XTQJWYLKCGRLNW-IAGOWNOFSA-N 1 0 389.543 5.239 40 0 GKABRO CCc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)cc2c1 ZINC000057718263 136153812 /nfs/dbraw/zinc/15/38/12/136153812.db2.gz HMBIPVPERAGJQZ-QZTJIDSGSA-N 1 0 389.543 5.185 40 0 GKABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)s1 ZINC000057774463 222036509 /nfs/dbraw/zinc/03/65/09/222036509.db2.gz UVOGFUPMJYGFQX-CYBMUJFWSA-N 1 0 395.450 5.300 40 0 GKABRO Clc1ccccc1Cc1cccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348868 222234288 /nfs/dbraw/zinc/23/42/88/222234288.db2.gz LQJHQGUMXHBHEJ-FQEVSTJZSA-N 1 0 377.919 5.100 40 0 GKABRO Cc1cccnc1Nc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)nc1 ZINC000072353100 222237945 /nfs/dbraw/zinc/23/79/45/222237945.db2.gz GKWIBSVZUQSREJ-DEOSSOPVSA-N 1 0 395.510 5.414 40 0 GKABRO CCn1cc(C[N@@H+]2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1 ZINC000072370048 222240983 /nfs/dbraw/zinc/24/09/83/222240983.db2.gz PLENARUWAHMHBG-QHCPKHFHSA-N 1 0 378.495 5.140 40 0 GKABRO Cc1ccc(OC(=O)C(C)C)c([C@@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)c1 ZINC000077286821 222277262 /nfs/dbraw/zinc/27/72/62/222277262.db2.gz LOMIYJWXUUAURU-QHCPKHFHSA-N 1 0 395.587 6.197 40 0 in-vitro GKABRO Clc1ccc(COc2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000022073771 534640022 /nfs/dbraw/zinc/64/00/22/534640022.db2.gz KCOYLNSXZVUGMG-UHFFFAOYSA-N 1 0 381.947 5.977 40 0 GKABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C(C)C)C=C3C)o2)cc1 ZINC000030883103 560089649 /nfs/dbraw/zinc/08/96/49/560089649.db2.gz APXBCGFGVARQKI-FKBYEOEOSA-N 1 0 381.564 5.440 40 0 biogenic,in-vitro GKABRO c1ccc(CN2CCC[C@@]3(CCC[N@@H+]3Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000096214655 570219554 /nfs/dbraw/zinc/21/95/54/570219554.db2.gz GUOVSFRAHPIGRV-MUUNZHRXSA-N 1 0 396.578 5.984 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000020107947 570239945 /nfs/dbraw/zinc/23/99/45/570239945.db2.gz PIWXYZCNAVKZIQ-AWEZNQCLSA-N 1 0 377.315 5.478 40 0 GKABRO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000005163628 570245980 /nfs/dbraw/zinc/24/59/80/570245980.db2.gz BUZOOTVRWDNERF-VJBMBRPKSA-N 1 0 385.935 5.217 40 0 GKABRO CC(C)c1ccc(CCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020451355 570257320 /nfs/dbraw/zinc/25/73/20/570257320.db2.gz SKPYPSXHVWXJPY-FQEVSTJZSA-N 1 0 378.560 5.014 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020494936 570263714 /nfs/dbraw/zinc/26/37/14/570263714.db2.gz LPFXLMJUODRXGG-HXUWFJFHSA-N 1 0 384.523 5.044 40 0 GKABRO O[C@@H](c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001640912 570266448 /nfs/dbraw/zinc/26/64/48/570266448.db2.gz NXTJDLLZXKYMMP-FPOVZHCZSA-N 1 0 387.310 5.384 40 0 GKABRO C[C@H]1C[N@H+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)C(C)(C)C1 ZINC000001655423 570266803 /nfs/dbraw/zinc/26/68/03/570266803.db2.gz NZZKSTKUSIBDTM-MRXNPFEDSA-N 1 0 386.992 6.453 40 0 GKABRO CC1=C[C@@H](C)[C@H](CN2CC[N@H+](C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677505 570291096 /nfs/dbraw/zinc/29/10/96/570291096.db2.gz VQHCAYWQEPUJSF-UPHKREHFSA-N 1 0 386.668 6.063 40 0 GKABRO CC1=C[C@H](C)[C@@H](CN2CC[N@H+](C[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000102677506 570291177 /nfs/dbraw/zinc/29/11/77/570291177.db2.gz VQHCAYWQEPUJSF-JXOQFONFSA-N 1 0 386.668 6.063 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1cccc(Cl)c1 ZINC000022074742 570304882 /nfs/dbraw/zinc/30/48/82/570304882.db2.gz QIVDPNGXPZHTRT-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022074306 570304900 /nfs/dbraw/zinc/30/49/00/570304900.db2.gz HQRCNQKMGVVOAX-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO Clc1cc(Cl)cc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)c1 ZINC000022076573 570305425 /nfs/dbraw/zinc/30/54/25/570305425.db2.gz WOPKUDWAWHMAHU-UHFFFAOYSA-N 1 0 385.294 6.067 40 0 GKABRO CC[C@H](c1ccccc1)[C@@H](c1ccc(OCC[NH+](C)C)cc1)c1cccc(O)c1 ZINC000584578240 570311437 /nfs/dbraw/zinc/31/14/37/570311437.db2.gz QAYFBVRNOWKIHB-FTJBHMTQSA-N 1 0 389.539 5.658 40 0 GKABRO CC[C@@H](c1ccccc1)[C@H](c1ccc(OCC[NH+](C)C)cc1)c1cccc(O)c1 ZINC000584578241 570311828 /nfs/dbraw/zinc/31/18/28/570311828.db2.gz QAYFBVRNOWKIHB-IZZNHLLZSA-N 1 0 389.539 5.658 40 0 GKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215625 570313675 /nfs/dbraw/zinc/31/36/75/570313675.db2.gz JOSMZNDWXDHMTD-HXUWFJFHSA-N 1 0 387.568 5.559 40 0 GKABRO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214465 570314609 /nfs/dbraw/zinc/31/46/09/570314609.db2.gz UDDZBUWFCDFDDC-HXUWFJFHSA-N 1 0 381.520 5.180 40 0 GKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214582 570314798 /nfs/dbraw/zinc/31/47/98/570314798.db2.gz SASVGWMDBHJQCT-HXUWFJFHSA-N 1 0 389.584 5.806 40 0 GKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214576 570314999 /nfs/dbraw/zinc/31/49/99/570314999.db2.gz OAWNKUFBXOEPFZ-LJQANCHMSA-N 1 0 375.557 5.416 40 0 GKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072214760 570315010 /nfs/dbraw/zinc/31/50/10/570315010.db2.gz AZFUTLGXSPAJTI-IBGZPJMESA-N 1 0 375.557 5.416 40 0 GKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214728 570315028 /nfs/dbraw/zinc/31/50/28/570315028.db2.gz XKJOQVFCTQOCIG-OAQYLSRUSA-N 1 0 395.547 5.570 40 0 GKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214667 570315074 /nfs/dbraw/zinc/31/50/74/570315074.db2.gz NRUSYKIHDAGRIU-NRFANRHFSA-N 1 0 395.547 5.570 40 0 GKABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215150 570315284 /nfs/dbraw/zinc/31/52/84/570315284.db2.gz XHNAJCRHCOEWQH-HKUYNNGSSA-N 1 0 375.557 5.559 40 0 GKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215125 570315330 /nfs/dbraw/zinc/31/53/30/570315330.db2.gz FZDRVOARGHCRRW-PKOBYXMFSA-N 1 0 375.557 5.559 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072215001 570315376 /nfs/dbraw/zinc/31/53/76/570315376.db2.gz BXUVKLMJSRFHRZ-HXUWFJFHSA-N 1 0 389.584 5.806 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072215151 570315490 /nfs/dbraw/zinc/31/54/90/570315490.db2.gz FYSDTSBIVHZWDT-MJGOQNOKSA-N 1 0 375.557 5.557 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072215061 570315544 /nfs/dbraw/zinc/31/55/44/570315544.db2.gz LQFJFUZKGPBYTC-HXUWFJFHSA-N 1 0 389.584 5.806 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072215266 570315792 /nfs/dbraw/zinc/31/57/92/570315792.db2.gz WHYSFGGFJLOLIP-PKOBYXMFSA-N 1 0 375.557 5.557 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072215234 570315801 /nfs/dbraw/zinc/31/58/01/570315801.db2.gz KMIFNHOVBNKCGD-HKUYNNGSSA-N 1 0 375.557 5.415 40 0 GKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215582 570315819 /nfs/dbraw/zinc/31/58/19/570315819.db2.gz JXACZEJKYAVPFT-HXUWFJFHSA-N 1 0 387.568 5.701 40 0 GKABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215237 570315832 /nfs/dbraw/zinc/31/58/32/570315832.db2.gz HEFNSROWNHATNS-PKOBYXMFSA-N 1 0 375.557 5.559 40 0 GKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215567 570316007 /nfs/dbraw/zinc/31/60/07/570316007.db2.gz AVUUJPOFFCNHIR-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215821 570316458 /nfs/dbraw/zinc/31/64/58/570316458.db2.gz ADQPGMBIWIFYRJ-NRFANRHFSA-N 1 0 395.547 6.092 40 0 GKABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215818 570316509 /nfs/dbraw/zinc/31/65/09/570316509.db2.gz SSPPVEPSHCAYDD-HXUWFJFHSA-N 1 0 381.520 5.702 40 0 GKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215882 570316962 /nfs/dbraw/zinc/31/69/62/570316962.db2.gz UEFJLMTWOBVMQX-OAQYLSRUSA-N 1 0 395.547 6.090 40 0 GKABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1CC1CCCCC1 ZINC000585100672 570319549 /nfs/dbraw/zinc/31/95/49/570319549.db2.gz SFJAPDKALJHMGI-AREMUKBSSA-N 1 0 394.603 5.103 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H](O)c1ccccc1 ZINC000022076515 570320803 /nfs/dbraw/zinc/32/08/03/570320803.db2.gz MHMDAILTNWMDLK-ZUOKHONESA-N 1 0 376.283 5.465 40 0 GKABRO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072359225 570339402 /nfs/dbraw/zinc/33/94/02/570339402.db2.gz HXPBQKUYAJNPMC-LJQANCHMSA-N 1 0 386.474 5.144 40 0 GKABRO CC(C)c1ccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000219237124 570350030 /nfs/dbraw/zinc/35/00/30/570350030.db2.gz XBBUZZCVOOIAHF-UHFFFAOYSA-N 1 0 392.587 5.405 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1C ZINC000219239281 570350266 /nfs/dbraw/zinc/35/02/66/570350266.db2.gz MSZPWDBPGZJXEE-DVECYGJZSA-N 1 0 378.560 5.416 40 0 GKABRO CC(C)c1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000219242773 570350437 /nfs/dbraw/zinc/35/04/37/570350437.db2.gz JLSAFRRQXORCGF-NRFANRHFSA-N 1 0 392.587 5.405 40 0 GKABRO CC(C)c1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000219242683 570350488 /nfs/dbraw/zinc/35/04/88/570350488.db2.gz JLSAFRRQXORCGF-OAQYLSRUSA-N 1 0 392.587 5.405 40 0 GKABRO CCCCCCOc1ccc(C(=[NH2+])N(CCCC)CCCC)c2ccccc12 ZINC000004215129 570363359 /nfs/dbraw/zinc/36/33/59/570363359.db2.gz FGGFIMIICGZCCJ-UHFFFAOYSA-N 1 0 382.592 7.026 40 0 in-man GKABRO C[C@@H]1C[N@H+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)C(C)(C)C1 ZINC000004366865 570371478 /nfs/dbraw/zinc/37/14/78/570371478.db2.gz NZZKSTKUSIBDTM-INIZCTEOSA-N 1 0 386.992 6.453 40 0 GKABRO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000004375770 570372253 /nfs/dbraw/zinc/37/22/53/570372253.db2.gz FTGMSKYZJVDEFA-OTZYSICVSA-N 1 0 389.514 5.714 40 0 GKABRO COc1ccc2cnc(C3CC[NH+](Cc4cc(F)ccc4F)CC3)cc2c1C ZINC000057763020 570372704 /nfs/dbraw/zinc/37/27/04/570372704.db2.gz SKFLONCUZRHFOX-UHFFFAOYSA-N 1 0 382.454 5.210 40 0 GKABRO Fc1ccc(C[NH+]2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc1 ZINC000057774535 570373607 /nfs/dbraw/zinc/37/36/07/570373607.db2.gz KVOHWEMCGBAPHU-UHFFFAOYSA-N 1 0 377.385 5.100 40 0 GKABRO CCCCCC[NH+](CCCCCC)CCNc1ccnc2cc(Cl)ccc21 ZINC000004428706 570375007 /nfs/dbraw/zinc/37/50/07/570375007.db2.gz PEUOJPLXAYOHFK-UHFFFAOYSA-N 1 0 390.015 6.763 40 0 GKABRO CCC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004477951 570376753 /nfs/dbraw/zinc/37/67/53/570376753.db2.gz IBVUWOBSESRAEG-SSUZURRFSA-N 1 0 389.514 5.906 40 0 GKABRO CCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004477949 570376802 /nfs/dbraw/zinc/37/68/02/570376802.db2.gz IBVUWOBSESRAEG-CQJMVLFOSA-N 1 0 389.514 5.906 40 0 GKABRO Cc1ccc([C@](O)(c2ccccc2)[C@H]2[C@H](c3ccccc3)[N@@H+]2C2CCCCC2)cc1 ZINC000004742962 570401481 /nfs/dbraw/zinc/40/14/81/570401481.db2.gz HRBNJDCFKNWDAL-JCDLHITASA-N 1 0 397.562 5.989 40 0 GKABRO O=C(c1ccccc1)[C@@H]([C@@H](c1cccs1)[NH+]1CCCCC1)N1CCCCC1 ZINC000019360973 570406623 /nfs/dbraw/zinc/40/66/23/570406623.db2.gz RNVACNZJXVZXMZ-FGZHOGPDSA-N 1 0 382.573 5.013 40 0 GKABRO CCN(CC)c1ccc(C(=O)O[C@@H](C)C[NH2+]C[C@H](C)CCCC(C)C)cc1 ZINC000004825150 570409189 /nfs/dbraw/zinc/40/91/89/570409189.db2.gz KAKICIFUBJBXAZ-UXHICEINSA-N 1 0 376.585 5.130 40 0 GKABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222963503 570433448 /nfs/dbraw/zinc/43/34/48/570433448.db2.gz WPLPAMTWDOZOPW-UXHICEINSA-N 1 0 390.571 5.288 40 0 GKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222982058 570434847 /nfs/dbraw/zinc/43/48/47/570434847.db2.gz LDLIKSVHWFIWBY-FQEVSTJZSA-N 1 0 390.571 5.432 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223102923 570443676 /nfs/dbraw/zinc/44/36/76/570443676.db2.gz KODOVPWSTWAWEH-RUZDIDTESA-N 1 0 390.571 5.045 40 0 GKABRO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039772345 570446490 /nfs/dbraw/zinc/44/64/90/570446490.db2.gz YJERGGJSJTUHNL-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039748574 570447109 /nfs/dbraw/zinc/44/71/09/570447109.db2.gz OXAMIOCCTSSMSC-UHFFFAOYSA-N 1 0 398.550 5.128 40 0 GKABRO O=C(Nc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039750860 570447322 /nfs/dbraw/zinc/44/73/22/570447322.db2.gz SFSHAAGPYDSWOC-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039755188 570447963 /nfs/dbraw/zinc/44/79/63/570447963.db2.gz NNKDZKWDYROFOM-UHFFFAOYSA-N 1 0 384.951 5.533 40 0 GKABRO O=C(C[C@@H]([NH2+]C1CCCCC1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000005684593 570451485 /nfs/dbraw/zinc/45/14/85/570451485.db2.gz XGOHJZKIUXIPQR-OAQYLSRUSA-N 1 0 375.468 5.029 40 0 GKABRO CCC1(CC)C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccccc2O1 ZINC000223247484 570452919 /nfs/dbraw/zinc/45/29/19/570452919.db2.gz FQOJLHGWLRPCGI-QFIPXVFZSA-N 1 0 392.543 5.095 40 0 GKABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C1 ZINC000225615325 570457368 /nfs/dbraw/zinc/45/73/68/570457368.db2.gz PDMOIQPOEOMYBV-HUUCEWRRSA-N 1 0 399.332 5.735 40 0 GKABRO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000223432306 570465855 /nfs/dbraw/zinc/46/58/55/570465855.db2.gz YHVREOZYEWRYID-UHFFFAOYSA-N 1 0 390.449 5.011 40 0 GKABRO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1C ZINC000223469988 570467296 /nfs/dbraw/zinc/46/72/96/570467296.db2.gz VWUHJVSRCPWEQY-LJQANCHMSA-N 1 0 398.978 5.355 40 0 GKABRO CC(C)(C)[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000006882487 570498349 /nfs/dbraw/zinc/49/83/49/570498349.db2.gz PSJDXQAXVHZKTK-UHFFFAOYSA-N 1 0 388.338 6.614 40 0 GKABRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030938676 570501399 /nfs/dbraw/zinc/50/13/99/570501399.db2.gz IRSWWURYGSNYJB-AWEZNQCLSA-N 1 0 397.733 5.498 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000007260972 570501657 /nfs/dbraw/zinc/50/16/57/570501657.db2.gz PHSVHOFHJAQDMH-UHFFFAOYSA-N 1 0 396.358 6.251 40 0 GKABRO CCCCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000007260952 570501774 /nfs/dbraw/zinc/50/17/74/570501774.db2.gz FMLXKZQKHIMLQN-UHFFFAOYSA-N 1 0 381.947 6.742 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000007260978 570502167 /nfs/dbraw/zinc/50/21/67/570502167.db2.gz CRNJJRCTGZQGSV-UHFFFAOYSA-N 1 0 396.358 6.251 40 0 GKABRO CCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000007261283 570502238 /nfs/dbraw/zinc/50/22/38/570502238.db2.gz BKNKXWXEVQUIHA-UHFFFAOYSA-N 1 0 382.331 5.861 40 0 GKABRO Cc1cccc2c(SCC[NH+]3CCCCC3)nc(-c3ccc(F)cc3)nc12 ZINC000000877792 570505100 /nfs/dbraw/zinc/50/51/00/570505100.db2.gz ZDHZUQYWGGSBGY-UHFFFAOYSA-N 1 0 381.520 5.322 40 0 GKABRO COc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccc(Cl)cc1 ZINC000007522521 570506602 /nfs/dbraw/zinc/50/66/02/570506602.db2.gz GUHZBSDQNCSXAP-UHFFFAOYSA-N 1 0 387.951 6.130 40 0 GKABRO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCCC2)cc1 ZINC000007523398 570506686 /nfs/dbraw/zinc/50/66/86/570506686.db2.gz QMRRUTFTOFJIQP-UHFFFAOYSA-N 1 0 375.915 6.261 40 0 GKABRO Clc1cc(Cl)cc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)c1 ZINC000007524676 570507040 /nfs/dbraw/zinc/50/70/40/570507040.db2.gz DAURTMGUQWBDAI-UHFFFAOYSA-N 1 0 376.327 6.168 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1cccc(Cl)c1 ZINC000007523527 570507084 /nfs/dbraw/zinc/50/70/84/570507084.db2.gz YRSCKFMWNZULGV-UHFFFAOYSA-N 1 0 387.951 6.130 40 0 GKABRO Clc1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)c(Cl)c1 ZINC000007538764 570508040 /nfs/dbraw/zinc/50/80/40/570508040.db2.gz HBDDUDQUZSIGBB-UHFFFAOYSA-N 1 0 376.327 6.168 40 0 GKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C(c1ccccc1)c1ccccc1 ZINC000224642169 570522009 /nfs/dbraw/zinc/52/20/09/570522009.db2.gz DDOAVCRTAJPYOS-UHFFFAOYSA-N 1 0 398.550 5.121 40 0 GKABRO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008325926 570528160 /nfs/dbraw/zinc/52/81/60/570528160.db2.gz OOESZQYMCFNJDK-CYBMUJFWSA-N 1 0 382.729 5.570 40 0 GKABRO C[NH+](C)CCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008373818 570529495 /nfs/dbraw/zinc/52/94/95/570529495.db2.gz WQOQHSDADQEFDH-UHFFFAOYSA-N 1 0 382.935 5.114 40 0 GKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccn2)cc1 ZINC000008436598 570531467 /nfs/dbraw/zinc/53/14/67/570531467.db2.gz MNJYDQUZCFQRCU-UHFFFAOYSA-N 1 0 388.898 5.757 40 0 GKABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471269 570532008 /nfs/dbraw/zinc/53/20/08/570532008.db2.gz FYPQIHVCESPPPO-UHFFFAOYSA-N 1 0 380.315 5.613 40 0 GKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc2c(ccc3ccccc23)o1 ZINC000224824516 570532699 /nfs/dbraw/zinc/53/26/99/570532699.db2.gz SLFLJWPBXJCITF-UHFFFAOYSA-N 1 0 398.506 5.502 40 0 GKABRO C[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000008534261 570533334 /nfs/dbraw/zinc/53/33/34/570533334.db2.gz FMDMCZDRWUYUBA-INIZCTEOSA-N 1 0 386.322 6.423 40 0 GKABRO C[C@@H]([NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000008535351 570533453 /nfs/dbraw/zinc/53/34/53/570533453.db2.gz YVFDXHMSEUOPDR-MRXNPFEDSA-N 1 0 386.322 6.423 40 0 GKABRO C[C@@H]([NH2+]Cc1cc(Br)ccc1OCc1ccccc1)c1ccccc1 ZINC000008535311 570533475 /nfs/dbraw/zinc/53/34/75/570533475.db2.gz UEUWSKXKLHKNLL-QGZVFWFLSA-N 1 0 396.328 5.879 40 0 GKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008534233 570533479 /nfs/dbraw/zinc/53/34/79/570533479.db2.gz IIJBELHQTIIHJX-INIZCTEOSA-N 1 0 399.893 5.918 40 0 GKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(C)cc1 ZINC000008550123 570534009 /nfs/dbraw/zinc/53/40/09/570534009.db2.gz CGPMEKQRUWWULG-UHFFFAOYSA-N 1 0 391.555 5.641 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(OC)c(C)c1 ZINC000225197015 570555168 /nfs/dbraw/zinc/55/51/68/570555168.db2.gz STYJHYXZZONBDV-HSZRJFAPSA-N 1 0 394.559 5.261 40 0 GKABRO COc1ccc(C[N@H+](CCCn2ccnc2)Cc2c(C)oc3ccccc32)cc1 ZINC000036740172 570568432 /nfs/dbraw/zinc/56/84/32/570568432.db2.gz QJJHEPONVLJPCU-UHFFFAOYSA-N 1 0 389.499 5.039 40 0 GKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 ZINC000225509512 570581821 /nfs/dbraw/zinc/58/18/21/570581821.db2.gz ICIMOYIDLCDJGD-UHFFFAOYSA-N 1 0 394.559 5.166 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)C1 ZINC000038755072 570582351 /nfs/dbraw/zinc/58/23/51/570582351.db2.gz WCVBMQQPGAEYOP-HNNXBMFYSA-N 1 0 391.342 5.155 40 0 GKABRO Cc1ccc([C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)cc1 ZINC000038756211 570582574 /nfs/dbraw/zinc/58/25/74/570582574.db2.gz GFYUULBMSZCSDC-AREMUKBSSA-N 1 0 398.550 5.500 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)c(C)c1 ZINC000225534187 570584922 /nfs/dbraw/zinc/58/49/22/570584922.db2.gz NFDMWMPGEGJYFV-WZONZLPQSA-N 1 0 394.559 5.117 40 0 GKABRO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834052 570585624 /nfs/dbraw/zinc/58/56/24/570585624.db2.gz PKZOZDHWPBOHCM-IBGZPJMESA-N 1 0 378.903 5.344 40 0 GKABRO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834693 570585882 /nfs/dbraw/zinc/58/58/82/570585882.db2.gz WLQUECISZADRKY-HNNXBMFYSA-N 1 0 396.840 5.210 40 0 GKABRO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834694 570585976 /nfs/dbraw/zinc/58/59/76/570585976.db2.gz WLQUECISZADRKY-OAHLLOKOSA-N 1 0 396.840 5.210 40 0 GKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCCCC2)cc1 ZINC000225542580 570586092 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O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017080741 570918354 /nfs/dbraw/zinc/91/83/54/570918354.db2.gz SCJRVQGUQQNVAL-UHFFFAOYSA-N 1 0 394.902 5.838 40 0 GKABRO Clc1ccc(COc2ccc(C[NH2+]C3CCCCCC3)cc2)c(Cl)c1 ZINC000016401549 570923831 /nfs/dbraw/zinc/92/38/31/570923831.db2.gz RXAGJZOITSXWCW-UHFFFAOYSA-N 1 0 378.343 6.385 40 0 GKABRO CC1=C[C@H](C)[C@H](CN2CC[N@H+](C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)C2C(C)C)[C@H](C)C1 ZINC000019325797 570925410 /nfs/dbraw/zinc/92/54/10/570925410.db2.gz VQHCAYWQEPUJSF-HFRKGGPVSA-N 1 0 386.668 6.063 40 0 GKABRO Fc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016449736 570925647 /nfs/dbraw/zinc/92/56/47/570925647.db2.gz MEEQMUTWIVNZFX-UHFFFAOYSA-N 1 0 390.285 6.001 40 0 GKABRO Clc1ccc(COc2cccc(C[NH2+]CCc3ccccc3)c2)c(Cl)c1 ZINC000016479375 570925901 /nfs/dbraw/zinc/92/59/01/570925901.db2.gz TXRPOJDCGXCKMW-UHFFFAOYSA-N 1 0 386.322 5.905 40 0 GKABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2cn(C)c3ccc(F)cc23)nc1 ZINC000019215604 570961843 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/nfs/dbraw/zinc/18/94/80/210189480.db2.gz NWKMKEKSORUGLJ-UHFFFAOYSA-N 1 0 379.475 5.054 40 0 GKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1cccc(C)c1 ZINC000016349363 210188600 /nfs/dbraw/zinc/18/86/00/210188600.db2.gz IDHAVMQEZSHSNW-UHFFFAOYSA-N 1 0 381.903 5.526 40 0 GKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225503976 222681370 /nfs/dbraw/zinc/68/13/70/222681370.db2.gz ORSKBUJVRDMRGP-UHFFFAOYSA-N 1 0 394.559 5.248 40 0 GKABRO C[C@H]1[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1Cl ZINC000013786126 210090149 /nfs/dbraw/zinc/09/01/49/210090149.db2.gz BEWVWNGYSGPFME-PVUOONDNSA-N 1 0 391.942 5.726 40 0 GKABRO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000013756328 210088863 /nfs/dbraw/zinc/08/88/63/210088863.db2.gz XYXSWNLJRUZOJN-UJGHJYCRSA-N 1 0 385.551 5.660 40 0 GKABRO COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccccc1F ZINC000008495634 209783688 /nfs/dbraw/zinc/78/36/88/209783688.db2.gz ROAORQVSYIUKDA-UHFFFAOYSA-N 1 0 395.518 5.328 40 0 GKABRO CCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008253170 209770046 /nfs/dbraw/zinc/77/00/46/209770046.db2.gz QJIUEQQYUGXNOS-UHFFFAOYSA-N 1 0 398.330 5.097 40 0 GKABRO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccc(Cl)cc1 ZINC000006857426 209697523 /nfs/dbraw/zinc/69/75/23/209697523.db2.gz PZCZXMHAVRHUHD-UHFFFAOYSA-N 1 0 389.967 6.232 40 0 GKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2c(O)cccc12 ZINC000005421836 209592650 /nfs/dbraw/zinc/59/26/50/209592650.db2.gz XMKLLONHDFUOPP-XMMPIXPASA-N 1 0 392.543 5.543 40 0 GKABRO CC[NH+](CC)CC[C@H](CNc1ccnc2cc(Cl)ccc21)c1ccc(O)cc1 ZINC000001591925 209333497 /nfs/dbraw/zinc/33/34/97/209333497.db2.gz HBKQCUYPHQEPGT-GOSISDBHSA-N 1 0 397.950 5.521 40 0 GKABRO CCCC[NH+](CCCC)CCC[C@]1(c2ccccc2)c2ccccc2OC1=O ZINC000001712466 209336547 /nfs/dbraw/zinc/33/65/47/209336547.db2.gz AKDBWOZUOOWSNL-VWLOTQADSA-N 1 0 379.544 5.574 40 0 GKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1ccc2cc3c(nc2c1)CCCC3 ZINC000001729671 212254161 /nfs/dbraw/zinc/25/41/61/212254161.db2.gz PQQLDISMINILFS-VWLOTQADSA-N 1 0 382.592 5.829 40 0 GKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(OC)c2cc(Cl)cc(Cl)c2n1 ZINC000001597012 212250289 /nfs/dbraw/zinc/25/02/89/212250289.db2.gz BBGZMCRBYSOHLH-SFHVURJKSA-N 1 0 399.362 5.486 40 0 GKABRO Cc1c(C2CC[NH+](CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1 ZINC000000602172 212164459 /nfs/dbraw/zinc/16/44/59/212164459.db2.gz QDMAKDIDFJTXEL-UHFFFAOYSA-N 1 0 380.919 5.726 40 0 in-vivo GKABRO C[C@H]1CCC[N@H+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C1 ZINC000216827271 212106645 /nfs/dbraw/zinc/10/66/45/212106645.db2.gz KHIHRZXDHGOTCI-AWEZNQCLSA-N 1 0 385.305 5.489 40 0 GKABRO CC1(C)CCCC(C)(C)[NH+]1C[C@@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373173 212041310 /nfs/dbraw/zinc/04/13/10/212041310.db2.gz MVLLDHPXMNTRHD-HSZRJFAPSA-N 1 0 395.587 5.239 40 0 GKABRO Cc1noc(C)c1-c1cccc(C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)n1 ZINC000257316685 212024477 /nfs/dbraw/zinc/02/44/77/212024477.db2.gz VGOGBZRFNUNCSM-UHFFFAOYSA-N 1 0 386.499 5.214 40 0 GKABRO COc1ccc(Cc2ccc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)nc2)cc1 ZINC000257299721 212020735 /nfs/dbraw/zinc/02/07/35/212020735.db2.gz RRFWSPBSANKHOG-OAQYLSRUSA-N 1 0 376.544 5.217 40 0 GKABRO CC[NH+](CC)CCC[C@H](C)Nc1nc(C)nc2c1[C@H](c1ccccc1)C(C)(C)O2 ZINC000001708599 203917568 /nfs/dbraw/zinc/91/75/68/203917568.db2.gz YDGXKUDVQSMUDF-UWJYYQICSA-N 1 0 396.579 5.010 40 0 GKABRO CCCCc1ccc([C@](O)(CC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000001995664 203923867 /nfs/dbraw/zinc/92/38/67/203923867.db2.gz JMKRNOIPONXWSL-CXTIUDGFSA-N 1 0 391.599 5.777 40 0 GKABRO CCc1cc(-c2ccccc2)cc(CC)[n+]1Cc1ccc(-c2ccccc2)cc1 ZINC000002559162 203949415 /nfs/dbraw/zinc/94/94/15/203949415.db2.gz ORGZQPVZJRNSER-UHFFFAOYSA-N 1 0 378.539 6.481 40 0 GKABRO CCN(CC)c1ccc(C(=O)O[C@H](C)C[NH2+]C[C@@H](C)CCCC(C)C)cc1 ZINC000004825148 204079875 /nfs/dbraw/zinc/07/98/75/204079875.db2.gz KAKICIFUBJBXAZ-VQTJNVASSA-N 1 0 376.585 5.130 40 0 GKABRO CC(=O)OCC[N@H+](C[C@H]1[C@H](C)C=C(C)C[C@H]1C)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000004980990 204100152 /nfs/dbraw/zinc/10/01/52/204100152.db2.gz BRHVDTJVVBPNCJ-HZJABYRTSA-N 1 0 375.597 5.328 40 0 GKABRO COc1ccccc1[C@@]1(CC[NH2+][C@@H](C)c2cccs2)CCO[C@@H](C(C)C)C1 ZINC000005034665 204105828 /nfs/dbraw/zinc/10/58/28/204105828.db2.gz CEYBVEUXOMNZSU-ZEYPLWLESA-N 1 0 387.589 5.570 40 0 GKABRO CC[n+]1oc(C(=O)c2ccc(Cl)cc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000005699005 204147801 /nfs/dbraw/zinc/14/78/01/204147801.db2.gz KXTLLOAGUWQRSE-UHFFFAOYSA-N 1 0 388.874 5.805 40 0 GKABRO O=C(CC(c1ccccc1)c1ccccc1)NCCCC[NH+]1CCCCCCC1 ZINC000005941200 204158188 /nfs/dbraw/zinc/15/81/88/204158188.db2.gz GHPVUECIUOWHPM-UHFFFAOYSA-N 1 0 392.587 5.371 40 0 GKABRO CCC(=O)OC1(c2ccccc2)CC[NH+](C/C=C/c2cccc3ccccc23)CC1 ZINC000005964773 204160293 /nfs/dbraw/zinc/16/02/93/204160293.db2.gz FQWCYYRQVANHLG-UKTHLTGXSA-N 1 0 399.534 5.798 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1ccnc2c(Cl)cccc12 ZINC000005488378 204136061 /nfs/dbraw/zinc/13/60/61/204136061.db2.gz YXPNDKJBRXGFFZ-QFIPXVFZSA-N 1 0 390.999 6.384 40 0 GKABRO C[NH+](C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 ZINC000005618945 204143206 /nfs/dbraw/zinc/14/32/06/204143206.db2.gz ARYQUDZGCDBUOR-UHFFFAOYSA-N 1 0 392.355 5.169 40 0 GKABRO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000007261027 204236994 /nfs/dbraw/zinc/23/69/94/204236994.db2.gz YTYUEIQIUMDYOE-UHFFFAOYSA-N 1 0 375.940 5.988 40 0 GKABRO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 ZINC000007523421 204242385 /nfs/dbraw/zinc/24/23/85/204242385.db2.gz JPMNDVKYCZQNKY-UHFFFAOYSA-N 1 0 391.530 6.760 40 0 GKABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]C2CCCCCCC2)c1 ZINC000007523394 204242966 /nfs/dbraw/zinc/24/29/66/204242966.db2.gz KQRJUKDDSGXSBG-UHFFFAOYSA-N 1 0 392.370 6.775 40 0 GKABRO CCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008253205 204268173 /nfs/dbraw/zinc/26/81/73/204268173.db2.gz VIKZXIGSMFAOAS-UHFFFAOYSA-N 1 0 398.330 5.097 40 0 GKABRO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008325902 204272427 /nfs/dbraw/zinc/27/24/27/204272427.db2.gz XMWDYHFMGQWQGH-CQSZACIVSA-N 1 0 382.331 5.859 40 0 GKABRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2Cl)cc1 ZINC000008474537 204277952 /nfs/dbraw/zinc/27/79/52/204277952.db2.gz ROQLSSARQVDMQL-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO Cc1noc(C)c1-c1ccnc(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC000257277012 212015650 /nfs/dbraw/zinc/01/56/50/212015650.db2.gz NWBYIIRABCCORP-UHFFFAOYSA-N 1 0 386.499 5.214 40 0 GKABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C1 ZINC000216827362 209174747 /nfs/dbraw/zinc/17/47/47/209174747.db2.gz UTLVCHQJCAVPER-GASCZTMLSA-N 1 0 399.332 5.735 40 0 GKABRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](Nc3cccc(F)c3)[C@@H](CC(C)C)C2)cc1 ZINC000257240565 212008273 /nfs/dbraw/zinc/00/82/73/212008273.db2.gz HUCGWBUXPJCFTF-GBXCKJPGSA-N 1 0 397.538 5.133 40 0 GKABRO COc1ccc(OCCNc2cccc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cc1 ZINC000257223851 212004975 /nfs/dbraw/zinc/00/49/75/212004975.db2.gz DZEUULOQXHSQSG-QHCPKHFHSA-N 1 0 395.547 5.051 40 0 GKABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000038849662 205041142 /nfs/dbraw/zinc/04/11/42/205041142.db2.gz UBJNHDWSTLKBSW-MRXNPFEDSA-N 1 0 377.315 5.153 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C)c(C)c1 ZINC000044856559 205087420 /nfs/dbraw/zinc/08/74/20/205087420.db2.gz ZXOVRADFSPNATB-DEOSSOPVSA-N 1 0 378.560 5.561 40 0 GKABRO CC(C)(C)c1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044874482 205088632 /nfs/dbraw/zinc/08/86/32/205088632.db2.gz OVBPOPXWVYDNAU-UHFFFAOYSA-N 1 0 392.587 5.219 40 0 GKABRO CC[NH+](CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCO[C@@]4(C)CC[C@@H]32)C1 ZINC000045789070 205097870 /nfs/dbraw/zinc/09/78/70/205097870.db2.gz OMFVWZWXALLAAE-ZYODCECPSA-N 1 0 375.597 5.055 40 0 in-vitro GKABRO Clc1ccc(Cc2cccc(C3CC[NH+](Cc4cccnc4)CC3)n2)cc1 ZINC000072348869 205330430 /nfs/dbraw/zinc/33/04/30/205330430.db2.gz AQANWMLOTHFNNU-UHFFFAOYSA-N 1 0 377.919 5.100 40 0 GKABRO CCCC[C@H](CC)CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223414974 206000182 /nfs/dbraw/zinc/00/01/82/206000182.db2.gz YGVFIEDMWIHAMY-FQEVSTJZSA-N 1 0 378.560 5.191 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000223469655 206001048 /nfs/dbraw/zinc/00/10/48/206001048.db2.gz VSTZXUCHPYCYGY-OAQYLSRUSA-N 1 0 378.560 5.010 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)c1 ZINC000223469743 206001480 /nfs/dbraw/zinc/00/14/80/206001480.db2.gz QDKQNWAFBSKDGP-NRFANRHFSA-N 1 0 378.560 5.010 40 0 GKABRO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1C ZINC000223470132 206001740 /nfs/dbraw/zinc/00/17/40/206001740.db2.gz KYUBAKONZUWLSW-LJQANCHMSA-N 1 0 398.978 5.355 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)C1 ZINC000224334585 206019120 /nfs/dbraw/zinc/01/91/20/206019120.db2.gz JNUIBWPBUUOAPB-HXUWFJFHSA-N 1 0 399.538 5.157 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000224879745 206029572 /nfs/dbraw/zinc/02/95/72/206029572.db2.gz NFMIWZCAWOZAHJ-UHFFFAOYSA-N 1 0 392.421 5.069 40 0 GKABRO O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000224886709 206030944 /nfs/dbraw/zinc/03/09/44/206030944.db2.gz YCOAIJXKYLREFF-UHFFFAOYSA-N 1 0 392.421 5.214 40 0 GKABRO CC(C)(C)C[N@@H+]1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000257216750 206161667 /nfs/dbraw/zinc/16/16/67/206161667.db2.gz CVXFMSUXOFJUEO-LJQANCHMSA-N 1 0 390.493 5.917 40 0 GKABRO C[C@@H]([NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008534877 211631104 /nfs/dbraw/zinc/63/11/04/211631104.db2.gz RRSGBPNBALZMBH-FNDIMGIGSA-N 1 0 393.546 6.099 40 0 GKABRO C[NH+]1CCC(S[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000001624410 206387603 /nfs/dbraw/zinc/38/76/03/206387603.db2.gz JZNJGOKDPVHBAX-FQEVSTJZSA-N 1 0 375.990 5.916 40 0 GKABRO O[C@H](c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001608703 206387662 /nfs/dbraw/zinc/38/76/62/206387662.db2.gz SIMZCSJWBZNZHN-PZJWPPBQSA-N 1 0 387.310 5.384 40 0 GKABRO CCCCC[NH+](CCCCC)C[C@H](O)C1c2ccccc2Cc2ccccc21 ZINC000001700910 206389931 /nfs/dbraw/zinc/38/99/31/206389931.db2.gz SQLYWILAMXSGOP-VWLOTQADSA-N 1 0 379.588 5.766 40 0 GKABRO Clc1ccc(CNCCC[NH2+]Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000001697244 206390429 /nfs/dbraw/zinc/39/04/29/206390429.db2.gz JFPJGFKCIYWPCJ-UHFFFAOYSA-N 1 0 392.157 5.570 40 0 GKABRO CCCCSc1ccc([C@@H](SCC[NH+](CC)CC)c2ccccc2)cc1 ZINC000002036506 206396470 /nfs/dbraw/zinc/39/64/70/206396470.db2.gz VSKGHEOKJFLNSH-QHCPKHFHSA-N 1 0 387.658 6.743 40 0 GKABRO CCn1c2ccccc2c2cc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)ccc21 ZINC000006871168 206687965 /nfs/dbraw/zinc/68/79/65/206687965.db2.gz OLKDOYRIQQLXDA-WXIHSGNDSA-N 1 0 386.583 6.653 40 0 GKABRO COc1ccc(C)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc(C(F)F)n[nH]2)C1 ZINC000072391124 211111165 /nfs/dbraw/zinc/11/11/65/211111165.db2.gz FFMIRCJNTVNFHY-RBUKOAKNSA-N 1 0 397.469 5.048 40 0 GKABRO Cc1cc(Nc2cccc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2)no1 ZINC000072376162 211106336 /nfs/dbraw/zinc/10/63/36/211106336.db2.gz PXAHYXBNNBRAGR-UHFFFAOYSA-N 1 0 399.498 5.049 40 0 GKABRO Clc1ccccc1Cc1cccc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000072348866 211095628 /nfs/dbraw/zinc/09/56/28/211095628.db2.gz REEGZDCRVDAUSM-UHFFFAOYSA-N 1 0 377.919 5.100 40 0 GKABRO Clc1ccc(Cc2cccc(C3CC[NH+](Cc4ccncc4)CC3)n2)cc1 ZINC000072348829 211095333 /nfs/dbraw/zinc/09/53/33/211095333.db2.gz ZVSOGTZSSOZNBJ-UHFFFAOYSA-N 1 0 377.919 5.100 40 0 GKABRO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254009 206743424 /nfs/dbraw/zinc/74/34/24/206743424.db2.gz RIRRFPZDHCTOQG-UHFFFAOYSA-N 1 0 399.893 5.747 40 0 GKABRO CC[C@H](C)[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008326645 206747485 /nfs/dbraw/zinc/74/74/85/206747485.db2.gz ZNPVHMLJEAUETK-ZDUSSCGKSA-N 1 0 396.300 5.064 40 0 GKABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471389 206751605 /nfs/dbraw/zinc/75/16/05/206751605.db2.gz LBXDQVXZGGFHGI-UHFFFAOYSA-N 1 0 380.315 5.613 40 0 GKABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000044906063 210816902 /nfs/dbraw/zinc/81/69/02/210816902.db2.gz HUOYBFMVBONZAO-WIYYLYMNSA-N 1 0 396.550 5.213 40 0 GKABRO O=C(Nc1cc(Cl)ccc1Cl)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038835561 210759622 /nfs/dbraw/zinc/75/96/22/210759622.db2.gz IXOYMFYSXLODSR-UHFFFAOYSA-N 1 0 377.315 5.622 40 0 GKABRO C[N+]1=C(/C=C/c2ccc(I)cc2)C(C)(C)c2ccccc21 ZINC000017288527 207087948 /nfs/dbraw/zinc/08/79/48/207087948.db2.gz WGFOVQCLUWRDQS-JLHYYAGUSA-N 1 0 388.272 5.011 40 0 GKABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2ccccc2Cl)on1 ZINC000019120493 207102145 /nfs/dbraw/zinc/10/21/45/207102145.db2.gz YEDWPSFJFFVJRY-WMZHIEFXSA-N 1 0 395.934 5.445 40 0 GKABRO COc1ccc2[nH]c(C[NH2+][C@H](Cc3ccsc3)c3ccc(C)cn3)c(C)c2c1 ZINC000019215426 207107319 /nfs/dbraw/zinc/10/73/19/207107319.db2.gz YMFDMZIJWASXNV-JOCHJYFZSA-N 1 0 391.540 5.323 40 0 GKABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2ccccc2N2CCCC2)nc1 ZINC000019215576 207108082 /nfs/dbraw/zinc/10/80/82/207108082.db2.gz ATWOWVJPZRRBOL-QFIPXVFZSA-N 1 0 377.557 5.125 40 0 GKABRO CCn1ncc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)c1C ZINC000019523952 207129077 /nfs/dbraw/zinc/12/90/77/207129077.db2.gz BMYGCSBYNRXLEG-OAQYLSRUSA-N 1 0 382.483 5.123 40 0 GKABRO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccc(C(C)C)cc2)c1C ZINC000019557941 207133449 /nfs/dbraw/zinc/13/34/49/207133449.db2.gz LBDXQRGBKBDNSI-OAQYLSRUSA-N 1 0 378.520 5.532 40 0 GKABRO Cc1noc2nc([C@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)cc(C(F)F)c12 ZINC000019564312 207133612 /nfs/dbraw/zinc/13/36/12/207133612.db2.gz BQWSUZSTKCZVJO-ZDUSSCGKSA-N 1 0 393.384 5.127 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000019932193 207171706 /nfs/dbraw/zinc/17/17/06/207171706.db2.gz OWAKZURVFYCYOG-UHFFFAOYSA-N 1 0 377.315 5.478 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)C1 ZINC000020453158 207195386 /nfs/dbraw/zinc/19/53/86/207195386.db2.gz GWVUAIFWMLDYGR-NRFANRHFSA-N 1 0 398.550 5.438 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000030938759 207378632 /nfs/dbraw/zinc/37/86/32/207378632.db2.gz CWBYBTGEVOZUHU-UHFFFAOYSA-N 1 0 377.315 5.478 40 0 GKABRO c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000031719782 207385365 /nfs/dbraw/zinc/38/53/65/207385365.db2.gz MXHKBHYUIWOIKQ-MUUNZHRXSA-N 1 0 393.530 6.339 40 0 GKABRO O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000031923986 207389357 /nfs/dbraw/zinc/38/93/57/207389357.db2.gz ZGULMLKTCWGICW-HZFUHODCSA-N 1 0 393.530 6.035 40 0 GKABRO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)c1 ZINC000072380360 208013029 /nfs/dbraw/zinc/01/30/29/208013029.db2.gz HHVDPUWVJFSVOA-FQEVSTJZSA-N 1 0 386.474 5.144 40 0 GKABRO C[C@@H]1Cn2c(-c3ccc(Cl)cc3)c[n+](-c3cccc(C(F)(F)F)c3)c2S1 ZINC000026441688 210496462 /nfs/dbraw/zinc/49/64/62/210496462.db2.gz HENCPNACENSDSK-GFCCVEGCSA-N 1 0 395.857 5.598 40 0 GKABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020459733 210337793 /nfs/dbraw/zinc/33/77/93/210337793.db2.gz PLCOOGRGFJADNP-XMMPIXPASA-N 1 0 390.527 5.478 40 0 GKABRO Clc1ccc(COc2cccc(C[NH2+]C3CCCCCCC3)c2)c(Cl)c1 ZINC000007523338 220999585 /nfs/dbraw/zinc/99/95/85/220999585.db2.gz IVZCKRITNQVKCR-UHFFFAOYSA-N 1 0 392.370 6.775 40 0 GKABRO Clc1ccc(COc2ccc(C[NH2+]C3CCCCCCC3)cc2)c(Cl)c1 ZINC000007522294 221000182 /nfs/dbraw/zinc/00/01/82/221000182.db2.gz LXWODUBSGDRYGW-UHFFFAOYSA-N 1 0 392.370 6.775 40 0 GKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000007537873 221001092 /nfs/dbraw/zinc/00/10/92/221001092.db2.gz MLHXRJAAFCYZGV-UHFFFAOYSA-N 1 0 395.930 5.916 40 0 GKABRO COc1ccc(C[NH2+]Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000007538430 221001326 /nfs/dbraw/zinc/00/13/26/221001326.db2.gz LJTUKDFFYQALPN-UHFFFAOYSA-N 1 0 397.902 5.226 40 0 GKABRO CCOc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccccc1 ZINC000007539422 221001424 /nfs/dbraw/zinc/00/14/24/221001424.db2.gz QWWVDUOWCORRFP-UHFFFAOYSA-N 1 0 379.475 5.136 40 0 GKABRO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253949 221032787 /nfs/dbraw/zinc/03/27/87/221032787.db2.gz TYKRPOWUWRWKNS-UHFFFAOYSA-N 1 0 382.331 5.717 40 0 GKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC ZINC000008253692 221033572 /nfs/dbraw/zinc/03/35/72/221033572.db2.gz AXZMVKNHISHAAT-XSXQVXRUSA-N 1 0 377.956 5.442 40 0 GKABRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccccc1Cl ZINC000008534279 221043533 /nfs/dbraw/zinc/04/35/33/221043533.db2.gz DCBRTVQIXWCSEV-KRWDZBQOSA-N 1 0 381.903 5.778 40 0 GKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008535322 221043668 /nfs/dbraw/zinc/04/36/68/221043668.db2.gz ZTHYRSPMRXISLR-QGZVFWFLSA-N 1 0 381.903 5.778 40 0 GKABRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000008534237 221043744 /nfs/dbraw/zinc/04/37/44/221043744.db2.gz PLFUDUQTXNLXOY-INIZCTEOSA-N 1 0 386.322 6.423 40 0 GKABRO CCCOc1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000011990264 221140976 /nfs/dbraw/zinc/14/09/76/221140976.db2.gz LXXBHNDWVOFONB-XDHUDOTRSA-N 1 0 382.548 5.438 40 0 GKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCC2)cc1 ZINC000016401769 221361518 /nfs/dbraw/zinc/36/15/18/221361518.db2.gz VHNFYMNTIUGLPQ-UHFFFAOYSA-N 1 0 378.343 6.385 40 0 GKABRO Fc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000016449997 221363574 /nfs/dbraw/zinc/36/35/74/221363574.db2.gz VWZVPFQCVGBOCK-UHFFFAOYSA-N 1 0 387.857 5.530 40 0 GKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2cccs2)cc1 ZINC000016430627 221363619 /nfs/dbraw/zinc/36/36/19/221363619.db2.gz MWEWTUSYVTZXBL-UHFFFAOYSA-N 1 0 378.324 5.924 40 0 GKABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]Cc2ccccc2)c1 ZINC000016480108 221363942 /nfs/dbraw/zinc/36/39/42/221363942.db2.gz DCNOGAJWTGWYFF-UHFFFAOYSA-N 1 0 382.301 5.318 40 0 GKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1 ZINC000016525886 221364640 /nfs/dbraw/zinc/36/46/40/221364640.db2.gz FJZNFQXTZBCKGF-LJQANCHMSA-N 1 0 381.903 5.341 40 0 GKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCO1 ZINC000016525884 221364891 /nfs/dbraw/zinc/36/48/91/221364891.db2.gz FJZNFQXTZBCKGF-IBGZPJMESA-N 1 0 381.903 5.341 40 0 GKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCC2)cc1 ZINC000016525861 221365317 /nfs/dbraw/zinc/36/53/17/221365317.db2.gz OQBVNEVDKJKVNS-UHFFFAOYSA-N 1 0 393.958 6.885 40 0 GKABRO Cc1cc2cc(NC(=O)c3cc(C4CC[NH+](C5CCCC5)CC4)no3)ccc2o1 ZINC000019126563 221397939 /nfs/dbraw/zinc/39/79/39/221397939.db2.gz PAZNRAWVUNNSOL-UHFFFAOYSA-N 1 0 393.487 5.104 40 0 GKABRO Cc1cc2cc(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2cc1C ZINC000057718322 136153891 /nfs/dbraw/zinc/15/38/91/136153891.db2.gz FFZWFGHYDASNPY-CALCHBBNSA-N 1 0 389.543 5.239 40 0 GKABRO Cc1cc2cc(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)c(=O)[nH]c2cc1C ZINC000057718337 136153916 /nfs/dbraw/zinc/15/39/16/136153916.db2.gz FFZWFGHYDASNPY-IAGOWNOFSA-N 1 0 389.543 5.239 40 0 GKABRO CCCC[NH+](CCCC)CCNC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000022043436 221550600 /nfs/dbraw/zinc/55/06/00/221550600.db2.gz FOHOSEWYAHJONO-UHFFFAOYSA-N 1 0 398.591 5.285 40 0 GKABRO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030938756 221706582 /nfs/dbraw/zinc/70/65/82/221706582.db2.gz WQFDQHRIHLQGTH-UHFFFAOYSA-N 1 0 377.315 5.622 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C)cc1C ZINC000044856718 221955318 /nfs/dbraw/zinc/95/53/18/221955318.db2.gz WDKCYNINJAXTDI-XMMPIXPASA-N 1 0 378.560 5.561 40 0 GKABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072358226 222239483 /nfs/dbraw/zinc/23/94/83/222239483.db2.gz JBAAZLVDNYWJPA-JOCHJYFZSA-N 1 0 392.934 5.100 40 0 GKABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096053027 222374672 /nfs/dbraw/zinc/37/46/72/222374672.db2.gz AGWRCVJRQXORIL-LJQANCHMSA-N 1 0 396.600 5.028 40 0 GKABRO O=C(Nc1ccccc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000096071370 222377330 /nfs/dbraw/zinc/37/73/30/222377330.db2.gz WMLMAIFNLNJFBZ-QFIPXVFZSA-N 1 0 383.923 5.003 40 0 GKABRO O=C(Nc1ccccc1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096214624 222398611 /nfs/dbraw/zinc/39/86/11/222398611.db2.gz NGUHJQYADNCEEH-JOCHJYFZSA-N 1 0 383.923 5.003 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000039759539 534813158 /nfs/dbraw/zinc/81/31/58/534813158.db2.gz GGDFWRVMUWHSKV-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1ccc(Cl)c2ccccc21 ZINC000004416434 528138443 /nfs/dbraw/zinc/13/84/43/528138443.db2.gz QZDZABRTQCBFGB-DEOSSOPVSA-N 1 0 390.011 6.989 40 0 GKABRO COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C(C)C)C=C3C)o2)cc1 ZINC000030883233 560089667 /nfs/dbraw/zinc/08/96/67/560089667.db2.gz JHHPSKLXGGEPBK-ONTIZHBOSA-N 1 0 397.563 5.140 40 0 biogenic,in-vitro GKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000020455730 570259028 /nfs/dbraw/zinc/25/90/28/570259028.db2.gz HSSNKOYKEQORSX-RUZDIDTESA-N 1 0 384.523 5.126 40 0 GKABRO COc1ccc2c(c1OC)[C@@H](C=C(c1ccccc1)c1ccccc1)C[N@@H+](C)C2 ZINC000001624614 570266040 /nfs/dbraw/zinc/26/60/40/570266040.db2.gz BMBANZRNVKDGHZ-QFIPXVFZSA-N 1 0 385.507 5.365 40 0 GKABRO O=C(CC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000001724405 570267659 /nfs/dbraw/zinc/26/76/59/570267659.db2.gz HFMFEESTRDSKJX-UHFFFAOYSA-N 1 0 379.503 6.115 40 0 GKABRO CCc1onc(-c2ccc(OC)cc2)c1-c1ccccc1OCC[NH+](CC)CC ZINC000001760381 570268138 /nfs/dbraw/zinc/26/81/38/570268138.db2.gz OHEKEFHNOSWGOH-UHFFFAOYSA-N 1 0 394.515 5.300 40 0 GKABRO C[C@H]1[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000101682291 570284608 /nfs/dbraw/zinc/28/46/08/570284608.db2.gz BEWVWNGYSGPFME-LVEBQJTPSA-N 1 0 391.942 5.726 40 0 GKABRO CC(=O)OCC[N@H+](C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000102146724 570287552 /nfs/dbraw/zinc/28/75/52/570287552.db2.gz BRHVDTJVVBPNCJ-IFQWMDHTSA-N 1 0 375.597 5.328 40 0 GKABRO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccc(Cl)cc1 ZINC000022074443 570304851 /nfs/dbraw/zinc/30/48/51/570304851.db2.gz IBNGCOGJRWXZOJ-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccccc1 ZINC000022074549 570304861 /nfs/dbraw/zinc/30/48/61/570304861.db2.gz HTSWXEQZFXXUKR-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO Clc1ccc(COc2cccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000022073794 570304920 /nfs/dbraw/zinc/30/49/20/570304920.db2.gz XLKXMDHEGLLOHA-UHFFFAOYSA-N 1 0 381.947 5.977 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022074308 570304962 /nfs/dbraw/zinc/30/49/62/570304962.db2.gz LERMLIOFQAXXIM-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000216840772 570308091 /nfs/dbraw/zinc/30/80/91/570308091.db2.gz MZTBXAWZXMFYAO-AWEZNQCLSA-N 1 0 385.305 5.632 40 0 GKABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000216840969 570308115 /nfs/dbraw/zinc/30/81/15/570308115.db2.gz LXSFLXMVGPATHH-GASCZTMLSA-N 1 0 399.332 6.020 40 0 GKABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000216841002 570308123 /nfs/dbraw/zinc/30/81/23/570308123.db2.gz LXSFLXMVGPATHH-GJZGRUSLSA-N 1 0 399.332 6.020 40 0 GKABRO CC[C@H](c1ccccc1)[C@H](c1ccc(OCC[NH+](C)C)cc1)c1cccc(O)c1 ZINC000584578238 570311537 /nfs/dbraw/zinc/31/15/37/570311537.db2.gz QAYFBVRNOWKIHB-CLJLJLNGSA-N 1 0 389.539 5.658 40 0 GKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215642 570313718 /nfs/dbraw/zinc/31/37/18/570313718.db2.gz XNRDLSGYPAPHIK-HXUWFJFHSA-N 1 0 387.568 5.701 40 0 GKABRO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214464 570314548 /nfs/dbraw/zinc/31/45/48/570314548.db2.gz UDDZBUWFCDFDDC-FQEVSTJZSA-N 1 0 381.520 5.180 40 0 GKABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214825 570314778 /nfs/dbraw/zinc/31/47/78/570314778.db2.gz VIPBNOKFHZFIND-OAQYLSRUSA-N 1 0 395.547 5.570 40 0 GKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072214581 570314924 /nfs/dbraw/zinc/31/49/24/570314924.db2.gz HAJKASUXVULYKG-FQEVSTJZSA-N 1 0 389.584 5.662 40 0 GKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072214700 570315129 /nfs/dbraw/zinc/31/51/29/570315129.db2.gz OONSKRQXSXUCRW-IBGZPJMESA-N 1 0 375.557 5.416 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072215155 570315422 /nfs/dbraw/zinc/31/54/22/570315422.db2.gz GZNTUPIVEZVJFD-QUCCMNQESA-N 1 0 389.584 5.805 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072215157 570315447 /nfs/dbraw/zinc/31/54/47/570315447.db2.gz GZNTUPIVEZVJFD-UYAOXDASSA-N 1 0 389.584 5.805 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CCCC ZINC000072215044 570315466 /nfs/dbraw/zinc/31/54/66/570315466.db2.gz KTENESSMHFYKNM-IBGZPJMESA-N 1 0 375.557 5.560 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072215123 570315502 /nfs/dbraw/zinc/31/55/02/570315502.db2.gz LOZVOYSKTWJCLY-IEBWSBKVSA-N 1 0 375.557 5.415 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072215156 570315534 /nfs/dbraw/zinc/31/55/34/570315534.db2.gz GZNTUPIVEZVJFD-ICSRJNTNSA-N 1 0 389.584 5.805 40 0 GKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215159 570315798 /nfs/dbraw/zinc/31/57/98/570315798.db2.gz TYAIGBPBJVISGT-AZUAARDMSA-N 1 0 389.584 5.949 40 0 GKABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215566 570315810 /nfs/dbraw/zinc/31/58/10/570315810.db2.gz TWSQQJRYFDCKQM-FQEVSTJZSA-N 1 0 387.568 5.559 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072215268 570315904 /nfs/dbraw/zinc/31/59/04/570315904.db2.gz USZZUPMZZKFOGZ-ICSRJNTNSA-N 1 0 389.584 5.805 40 0 GKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000072215371 570315960 /nfs/dbraw/zinc/31/59/60/570315960.db2.gz RVQVYOCXSALNIF-NRFANRHFSA-N 1 0 393.531 5.323 40 0 GKABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215759 570316491 /nfs/dbraw/zinc/31/64/91/570316491.db2.gz FTEKJTVHUMHHDV-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215698 570316533 /nfs/dbraw/zinc/31/65/33/570316533.db2.gz YYEQDVZUODFLEU-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215819 570316660 /nfs/dbraw/zinc/31/66/60/570316660.db2.gz SSPPVEPSHCAYDD-FQEVSTJZSA-N 1 0 381.520 5.702 40 0 GKABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215881 570316837 /nfs/dbraw/zinc/31/68/37/570316837.db2.gz REDUNEXCKNNHNS-NRFANRHFSA-N 1 0 395.547 6.092 40 0 GKABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215883 570316924 /nfs/dbraw/zinc/31/69/24/570316924.db2.gz UEFJLMTWOBVMQX-NRFANRHFSA-N 1 0 395.547 6.090 40 0 GKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215865 570317077 /nfs/dbraw/zinc/31/70/77/570317077.db2.gz HJSGVLMOQXKKGL-OAQYLSRUSA-N 1 0 395.547 5.948 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000022511749 570319030 /nfs/dbraw/zinc/31/90/30/570319030.db2.gz SEDNZHLAIYFKDB-OAHLLOKOSA-N 1 0 376.422 5.190 40 0 GKABRO Cc1nc(C[N@@H+]2CC[C@@H](Nc3cccc(F)c3)[C@@H](Cc3ccccc3)C2)cs1 ZINC000585262228 570320252 /nfs/dbraw/zinc/32/02/52/570320252.db2.gz LBWKZZNMFXXLMB-WMZHIEFXSA-N 1 0 395.547 5.136 40 0 GKABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022075076 570321184 /nfs/dbraw/zinc/32/11/84/570321184.db2.gz DXJIFSYQVJBMTN-UHFFFAOYSA-N 1 0 381.347 5.004 40 0 GKABRO Cc1cc(OCC2(O)CC[NH+](C3CCC(C)(C)CC3)CC2)cc(C)c1Cl ZINC000585281307 570321533 /nfs/dbraw/zinc/32/15/33/570321533.db2.gz HZCKFFBFWVODJQ-UHFFFAOYSA-N 1 0 379.972 5.131 40 0 GKABRO CCCCc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1 ZINC000585290328 570321565 /nfs/dbraw/zinc/32/15/65/570321565.db2.gz VBRHFHNHKRHFCD-YTFSRNRJSA-N 1 0 387.951 5.133 40 0 GKABRO CC1(C)CCC([NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000585282028 570321581 /nfs/dbraw/zinc/32/15/81/570321581.db2.gz WGCWGZPXXGRKEO-UHFFFAOYSA-N 1 0 386.363 5.168 40 0 GKABRO CC[NH+](CC)CCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022075220 570321749 /nfs/dbraw/zinc/32/17/49/570321749.db2.gz BKIKCLRBXHSNEI-UHFFFAOYSA-N 1 0 396.962 5.504 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934758 570322377 /nfs/dbraw/zinc/32/23/77/570322377.db2.gz ALHFAOPHNIFHSO-ICSRJNTNSA-N 1 0 384.951 5.046 40 0 GKABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935605 570322607 /nfs/dbraw/zinc/32/26/07/570322607.db2.gz NFACPVZLNYPVAJ-RBBKRZOGSA-N 1 0 384.951 5.128 40 0 GKABRO CC(C)C(=O)N(c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000575598587 570327695 /nfs/dbraw/zinc/32/76/95/570327695.db2.gz YWHLYGSHOQKCJG-UHFFFAOYSA-N 1 0 384.951 5.036 40 0 in-vitro GKABRO COc1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)n2)c1 ZINC000072359867 570340017 /nfs/dbraw/zinc/34/00/17/570340017.db2.gz HQKUGLUKPSXISU-NRFANRHFSA-N 1 0 398.510 5.013 40 0 GKABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4C[C@]5(C)C[C@H]4CC(C)(C)C5)[C@H]3C=C12 ZINC000004025469 570354785 /nfs/dbraw/zinc/35/47/85/570354785.db2.gz KOTBZCSHVIMQNP-IBPQUOIJSA-N 1 0 385.592 5.201 40 0 GKABRO CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc([C@H](O)C[NH+]2CCCCC2)cc1 ZINC000004692091 570393987 /nfs/dbraw/zinc/39/39/87/570393987.db2.gz AUPQNYPRSQVHKG-UODIDJSMSA-N 1 0 395.587 5.902 40 0 GKABRO Cc1ccc([C@@](O)(c2ccccc2)[C@@H]2[C@H](c3ccccc3)[N@@H+]2C2CCCCC2)cc1 ZINC000004742960 570401277 /nfs/dbraw/zinc/40/12/77/570401277.db2.gz HRBNJDCFKNWDAL-QNKVVAGZSA-N 1 0 397.562 5.989 40 0 GKABRO O[C@H](c1ccccc1)[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000004777721 570404959 /nfs/dbraw/zinc/40/49/59/570404959.db2.gz ZGULMLKTCWGICW-OZNIXHKMSA-N 1 0 393.530 6.035 40 0 GKABRO C[C@H]1[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004785656 570405604 /nfs/dbraw/zinc/40/56/04/570405604.db2.gz XYXSWNLJRUZOJN-KCXKOMAXSA-N 1 0 385.551 5.660 40 0 GKABRO C[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004785654 570405708 /nfs/dbraw/zinc/40/57/08/570405708.db2.gz XYXSWNLJRUZOJN-CYTDPQRLSA-N 1 0 385.551 5.660 40 0 GKABRO O=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC000004888138 570415632 /nfs/dbraw/zinc/41/56/32/570415632.db2.gz FZZWAXQFDSERES-SEJPIABJSA-N 1 0 383.923 5.047 40 0 GKABRO CCCC[NH+](CCCC)CCCCCCNc1cc(OC)cc2cccnc21 ZINC000005495440 570442506 /nfs/dbraw/zinc/44/25/06/570442506.db2.gz BWERUPMABQHDLW-UHFFFAOYSA-N 1 0 385.596 6.118 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223102982 570443672 /nfs/dbraw/zinc/44/36/72/570443672.db2.gz KODOVPWSTWAWEH-VWLOTQADSA-N 1 0 390.571 5.045 40 0 GKABRO COc1ccc([C@H]([C@H](C(=O)c2ccccc2)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000005513943 570443927 /nfs/dbraw/zinc/44/39/27/570443927.db2.gz QTGOYTKXAXTLMO-CLJLJLNGSA-N 1 0 399.534 5.889 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000039763676 570446108 /nfs/dbraw/zinc/44/61/08/570446108.db2.gz AKHRQPMHIQCGRK-UHFFFAOYSA-N 1 0 398.550 5.113 40 0 GKABRO O=C(Nc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039765467 570446191 /nfs/dbraw/zinc/44/61/91/570446191.db2.gz GCRYTIMQSLHZRW-UHFFFAOYSA-N 1 0 396.840 5.210 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000039743488 570447015 /nfs/dbraw/zinc/44/70/15/570447015.db2.gz YJQBRJFPIFRNDZ-UHFFFAOYSA-N 1 0 398.550 5.113 40 0 GKABRO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039750552 570447519 /nfs/dbraw/zinc/44/75/19/570447519.db2.gz NJYHQLBJMDIQNU-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039756124 570448001 /nfs/dbraw/zinc/44/80/01/570448001.db2.gz MQWFYPLAACSINL-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000039758014 570449347 /nfs/dbraw/zinc/44/93/47/570449347.db2.gz JLSPUZMRUSKPBD-FQEVSTJZSA-N 1 0 392.587 5.382 40 0 GKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223231787 570451464 /nfs/dbraw/zinc/45/14/64/570451464.db2.gz YZMGAWAEOLDXSB-LJQANCHMSA-N 1 0 376.544 5.042 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1ccnc2c(Cl)cccc12 ZINC000005837337 570458823 /nfs/dbraw/zinc/45/88/23/570458823.db2.gz YXPNDKJBRXGFFZ-JOCHJYFZSA-N 1 0 390.999 6.384 40 0 GKABRO C[NH+](C)CCO[C@@](c1cccs1)(c1ccccc1)c1ccc2ccccc2n1 ZINC000005848649 570459303 /nfs/dbraw/zinc/45/93/03/570459303.db2.gz ONZPQLSPPCXUQE-DEOSSOPVSA-N 1 0 388.536 5.166 40 0 GKABRO CC(C)(C)CC(C)(C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223414629 570464895 /nfs/dbraw/zinc/46/48/95/570464895.db2.gz IRVYCKFOWNIVGR-UHFFFAOYSA-N 1 0 378.560 5.190 40 0 GKABRO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCCC2)c1 ZINC000035310751 570465765 /nfs/dbraw/zinc/46/57/65/570465765.db2.gz XHASUWKLWVZKOK-VCSGRIEYSA-N 1 0 385.621 5.308 40 0 GKABRO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C ZINC000223458663 570467495 /nfs/dbraw/zinc/46/74/95/570467495.db2.gz RMNZCVXRWUGKOL-OAQYLSRUSA-N 1 0 378.560 5.335 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000006857390 570497154 /nfs/dbraw/zinc/49/71/54/570497154.db2.gz ZHPSMBLALJAYFV-UHFFFAOYSA-N 1 0 394.386 6.877 40 0 GKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000006949682 570499321 /nfs/dbraw/zinc/49/93/21/570499321.db2.gz JGKYFQLQZCXKSI-UHFFFAOYSA-N 1 0 381.303 5.096 40 0 GKABRO O[C@H](c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000001567978 570500741 /nfs/dbraw/zinc/50/07/41/570500741.db2.gz ALUZCFMOHFZLKV-GHTZIAJQSA-N 1 0 387.310 5.384 40 0 GKABRO CCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000007261614 570502029 /nfs/dbraw/zinc/50/20/29/570502029.db2.gz BKSVASXCMWDAOD-UHFFFAOYSA-N 1 0 388.338 6.615 40 0 GKABRO CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000007261690 570502072 /nfs/dbraw/zinc/50/20/72/570502072.db2.gz QTZXJNLDJRZWFP-UHFFFAOYSA-N 1 0 382.331 5.861 40 0 GKABRO CCCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000007261277 570502091 /nfs/dbraw/zinc/50/20/91/570502091.db2.gz CJYJNWMDHPSEBL-UHFFFAOYSA-N 1 0 382.331 5.861 40 0 GKABRO CCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000007261279 570502136 /nfs/dbraw/zinc/50/21/36/570502136.db2.gz XHNYKCZMLKCVBV-UHFFFAOYSA-N 1 0 382.331 5.861 40 0 GKABRO CCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000007261262 570502186 /nfs/dbraw/zinc/50/21/86/570502186.db2.gz SNXCRLOZAWHYSE-UHFFFAOYSA-N 1 0 396.756 5.961 40 0 GKABRO COC(c1ccccc1)(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000031719412 570505851 /nfs/dbraw/zinc/50/58/51/570505851.db2.gz JBAHSWIYXPCPOY-DARYULOESA-N 1 0 397.562 6.335 40 0 GKABRO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(Cl)cc1Cl ZINC000007523595 570507141 /nfs/dbraw/zinc/50/71/41/570507141.db2.gz QHNVYRQIQVLKAO-UHFFFAOYSA-N 1 0 392.282 5.464 40 0 GKABRO O=C(CCc1cccc2ccccc21)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224534440 570516848 /nfs/dbraw/zinc/51/68/48/570516848.db2.gz CKNJCLITSDUPGU-UHFFFAOYSA-N 1 0 386.539 5.075 40 0 GKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 ZINC000008254606 570526077 /nfs/dbraw/zinc/52/60/77/570526077.db2.gz ZAWPHOJYDDGVGP-UHFFFAOYSA-N 1 0 391.555 5.723 40 0 GKABRO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000008254108 570526261 /nfs/dbraw/zinc/52/62/61/570526261.db2.gz WCIMKJISLQKIMM-UHFFFAOYSA-N 1 0 382.331 5.717 40 0 GKABRO CC[C@@H](C)[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008325869 570528127 /nfs/dbraw/zinc/52/81/27/570528127.db2.gz BYFHCIROPNRNFX-OAHLLOKOSA-N 1 0 388.338 6.614 40 0 GKABRO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008326687 570528270 /nfs/dbraw/zinc/52/82/70/570528270.db2.gz OOESZQYMCFNJDK-ZDUSSCGKSA-N 1 0 382.729 5.570 40 0 GKABRO CCOc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 ZINC000008325473 570528293 /nfs/dbraw/zinc/52/82/93/570528293.db2.gz GCCVUFRRJOAWAR-UHFFFAOYSA-N 1 0 391.555 5.723 40 0 GKABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471273 570531933 /nfs/dbraw/zinc/53/19/33/570531933.db2.gz WXQRHTJPNUIKGY-UHFFFAOYSA-N 1 0 394.342 6.003 40 0 GKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1F ZINC000008472220 570532392 /nfs/dbraw/zinc/53/23/92/570532392.db2.gz SKNMPLXGPZZZCR-UHFFFAOYSA-N 1 0 395.518 5.472 40 0 GKABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(F)cc1Cl ZINC000008471704 570532417 /nfs/dbraw/zinc/53/24/17/570532417.db2.gz CLDNADKMIAPORT-UHFFFAOYSA-N 1 0 377.887 5.489 40 0 GKABRO COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccc(F)cc1 ZINC000008495351 570532911 /nfs/dbraw/zinc/53/29/11/570532911.db2.gz BAWJIJYBWJYGQT-UHFFFAOYSA-N 1 0 395.518 5.328 40 0 GKABRO C[C@H]([NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21)c1ccccc1 ZINC000008534224 570533210 /nfs/dbraw/zinc/53/32/10/570533210.db2.gz FRYBPNKISNSRKL-IBGZPJMESA-N 1 0 385.482 6.409 40 0 GKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000008534255 570533485 /nfs/dbraw/zinc/53/34/85/570533485.db2.gz BKRFRQHFWIFSAX-KRWDZBQOSA-N 1 0 381.903 5.778 40 0 GKABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc3cccc(Cl)c3n2)o1 ZINC000036740293 570568598 /nfs/dbraw/zinc/56/85/98/570568598.db2.gz ZKNLXAARGCODIY-UHFFFAOYSA-N 1 0 394.906 5.079 40 0 GKABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000036740249 570568867 /nfs/dbraw/zinc/56/88/67/570568867.db2.gz ZCRQEUPWLWAKHA-UHFFFAOYSA-N 1 0 378.303 5.184 40 0 GKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000225512544 570582196 /nfs/dbraw/zinc/58/21/96/570582196.db2.gz NBMWFMABBROEKQ-UHFFFAOYSA-N 1 0 394.559 5.166 40 0 GKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834390 570585938 /nfs/dbraw/zinc/58/59/38/570585938.db2.gz MTCRHBKOMXRTHQ-OAQYLSRUSA-N 1 0 386.495 5.330 40 0 GKABRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038835009 570586728 /nfs/dbraw/zinc/58/67/28/570586728.db2.gz HKAOFJHDWZMKBK-CQSZACIVSA-N 1 0 397.733 5.498 40 0 GKABRO O=C(NCc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038848679 570586842 /nfs/dbraw/zinc/58/68/42/570586842.db2.gz VDSIMKPDJDWKLB-UHFFFAOYSA-N 1 0 391.342 5.299 40 0 GKABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000044839628 570634536 /nfs/dbraw/zinc/63/45/36/570634536.db2.gz GVJXVROMNFRVRZ-HXUWFJFHSA-N 1 0 390.980 5.691 40 0 GKABRO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[NH+]3CCCCC3)cc1)CC(C)(C)O2 ZINC000044855269 570636407 /nfs/dbraw/zinc/63/64/07/570636407.db2.gz TZAHEXAZCMWFBB-JOCHJYFZSA-N 1 0 392.543 5.013 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856510 570636940 /nfs/dbraw/zinc/63/69/40/570636940.db2.gz AMNKTYCPTGQFCA-HSZRJFAPSA-N 1 0 398.978 5.436 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856507 570636951 /nfs/dbraw/zinc/63/69/51/570636951.db2.gz YWZLVPZDJIFVBN-DEOSSOPVSA-N 1 0 378.560 5.091 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(C)cc1C ZINC000044856665 570637137 /nfs/dbraw/zinc/63/71/37/570637137.db2.gz REDKZASEHMCGJW-DEOSSOPVSA-N 1 0 378.560 5.091 40 0 GKABRO O=C(NCCCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044906423 570641758 /nfs/dbraw/zinc/64/17/58/570641758.db2.gz DIAPDFDWYVHLDX-UHFFFAOYSA-N 1 0 384.951 5.079 40 0 GKABRO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000044905911 570641788 /nfs/dbraw/zinc/64/17/88/570641788.db2.gz JDVSDBPVURATJN-NRFANRHFSA-N 1 0 398.550 5.353 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1 ZINC000044917311 570643322 /nfs/dbraw/zinc/64/33/22/570643322.db2.gz GDHHOXGYJFKXRS-LJQANCHMSA-N 1 0 392.543 5.492 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c(C)c1 ZINC000044934901 570643885 /nfs/dbraw/zinc/64/38/85/570643885.db2.gz HAGGMPTXFPTFTL-SFHVURJKSA-N 1 0 384.951 5.046 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935748 570644481 /nfs/dbraw/zinc/64/44/81/570644481.db2.gz HUQNZDWSIBWNBN-JOCHJYFZSA-N 1 0 384.951 5.128 40 0 GKABRO CC(C)[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005002470 570652318 /nfs/dbraw/zinc/65/23/18/570652318.db2.gz XANBEVHQLOSTKB-XUJYPJAKSA-N 1 0 385.551 5.965 40 0 GKABRO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccs2)c1C ZINC000008829091 570683218 /nfs/dbraw/zinc/68/32/18/570683218.db2.gz ACWGGJWVAVVDSN-YQQQUEKLSA-N 1 0 399.629 5.237 40 0 GKABRO CC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101637234 570716594 /nfs/dbraw/zinc/71/65/94/570716594.db2.gz JEKQPZGODPLINH-CXSMSNRLSA-N 1 0 375.487 5.515 40 0 GKABRO CCC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000102096965 570718516 /nfs/dbraw/zinc/71/85/16/570718516.db2.gz DWMBLMXBAOMOLC-NFGXINMFSA-N 1 0 385.551 5.852 40 0 GKABRO c1ccc(CNC(=[NH+]c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000003058826 570723109 /nfs/dbraw/zinc/72/31/09/570723109.db2.gz CUWUGSRMFICMLY-UHFFFAOYSA-N 1 0 376.503 6.305 40 0 GKABRO CCCC[NH+](CCCC)Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000006203658 570739070 /nfs/dbraw/zinc/73/90/70/570739070.db2.gz WEZMCXBRIUKKQC-UHFFFAOYSA-N 1 0 382.504 5.070 40 0 GKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371148 570741750 /nfs/dbraw/zinc/74/17/50/570741750.db2.gz XHNAJCRHCOEWQH-IEBWSBKVSA-N 1 0 375.557 5.559 40 0 GKABRO C[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468150 570755692 /nfs/dbraw/zinc/75/56/92/570755692.db2.gz NTQGEZJOMVFLMK-PVUOONDNSA-N 1 0 375.487 5.468 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000007260986 570757130 /nfs/dbraw/zinc/75/71/30/570757130.db2.gz BMSPPZRLLRJWMJ-UHFFFAOYSA-N 1 0 393.163 5.280 40 0 GKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1cccs1 ZINC000007523789 570760078 /nfs/dbraw/zinc/76/00/78/570760078.db2.gz NGEKLGCZSYOCBW-UHFFFAOYSA-N 1 0 385.504 5.197 40 0 GKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)ccc1OCc1cccs1 ZINC000007523793 570760113 /nfs/dbraw/zinc/76/01/13/570760113.db2.gz PTNASEMPWKOLNB-UHFFFAOYSA-N 1 0 397.540 5.067 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1cccs1 ZINC000007539991 570760398 /nfs/dbraw/zinc/76/03/98/570760398.db2.gz RXFXXMURGIJTDB-UHFFFAOYSA-N 1 0 379.953 5.802 40 0 GKABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007540790 570760415 /nfs/dbraw/zinc/76/04/15/570760415.db2.gz AMYYRMCGPWCHQD-FYSXHOOFSA-N 1 0 379.544 5.694 40 0 GKABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008253438 570765832 /nfs/dbraw/zinc/76/58/32/570765832.db2.gz AXQYWMUYNGJHAM-JHMRYYBSSA-N 1 0 382.375 6.087 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(OCc2cccs2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534869 570769798 /nfs/dbraw/zinc/76/97/98/570769798.db2.gz ZGQODUGBDPIGHD-TVGZPFHWSA-N 1 0 381.585 6.022 40 0 GKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000008534234 570769913 /nfs/dbraw/zinc/76/99/13/570769913.db2.gz NMOHMAGAQLEEDG-HNNXBMFYSA-N 1 0 387.932 5.840 40 0 GKABRO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008470270 570770275 /nfs/dbraw/zinc/77/02/75/570770275.db2.gz XNMMTPHZJBWWJK-UHFFFAOYSA-N 1 0 386.706 5.486 40 0 GKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010330019 570789183 /nfs/dbraw/zinc/78/91/83/570789183.db2.gz WETJJVAYCUHXSE-UHFFFAOYSA-N 1 0 386.495 5.114 40 0 GKABRO Cc1ccc(SCc2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)cc1 ZINC000010540334 570791526 /nfs/dbraw/zinc/79/15/26/570791526.db2.gz HZLBSXZZOULXDD-UHFFFAOYSA-N 1 0 396.600 5.139 40 0 GKABRO C[C@H]1C[C@H](C)C[NH+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000013040796 570819439 /nfs/dbraw/zinc/81/94/39/570819439.db2.gz VHEQVJXZOYORGL-AUSJPIAWSA-N 1 0 391.342 5.651 40 0 GKABRO C[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000013635316 570862163 /nfs/dbraw/zinc/86/21/63/570862163.db2.gz JABONFOKZVPFLG-DQEYMECFSA-N 1 0 379.503 5.572 40 0 GKABRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000035973424 570865088 /nfs/dbraw/zinc/86/50/88/570865088.db2.gz HCSHPKOGUQHHSK-URXFXBBRSA-N 1 0 395.587 6.396 40 0 GKABRO CCOc1cc(C[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)c(C)cc1OC ZINC000013989414 570868413 /nfs/dbraw/zinc/86/84/13/570868413.db2.gz KJFSRQADHGJDLY-UHFFFAOYSA-N 1 0 390.527 5.308 40 0 GKABRO O[C@@]1(c2ccc(-c3ccccc3)cc2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000022407976 570889537 /nfs/dbraw/zinc/88/95/37/570889537.db2.gz BTBCEOHTIHOKPK-AREMUKBSSA-N 1 0 383.515 5.004 40 0 GKABRO COc1ccc2c(c1)[n+]1c(cc2C(F)(F)F)SC(c2ccccc2)C1=O ZINC000044867313 570889925 /nfs/dbraw/zinc/88/99/25/570889925.db2.gz KKJCISCYUBBIJO-UHFFFAOYSA-O 1 0 376.379 5.040 40 0 GKABRO Clc1ccccc1COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000016450061 570925682 /nfs/dbraw/zinc/92/56/82/570925682.db2.gz VDQFWGQRKTWDDS-UHFFFAOYSA-N 1 0 390.914 5.733 40 0 GKABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)o1 ZINC000019238725 570967723 /nfs/dbraw/zinc/96/77/23/570967723.db2.gz YQKAYJQJXYAEEM-UHFFFAOYSA-N 1 0 390.512 5.034 40 0 GKABRO c1cc(-c2nnc(C3CC[NH+](Cc4cccc5ccccc54)CC3)o2)cs1 ZINC000019376373 570982128 /nfs/dbraw/zinc/98/21/28/570982128.db2.gz PLLYZGCKILAPKM-UHFFFAOYSA-N 1 0 375.497 5.331 40 0 GKABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cn1 ZINC000019692068 571029566 /nfs/dbraw/zinc/02/95/66/571029566.db2.gz VLESMFWDJZKASU-QHCPKHFHSA-N 1 0 394.950 5.188 40 0 GKABRO Cc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)s1 ZINC000019691975 571029800 /nfs/dbraw/zinc/02/98/00/571029800.db2.gz WDHRUBROCGNKAQ-QFIPXVFZSA-N 1 0 397.975 5.736 40 0 GKABRO O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000017080255 230897881 /nfs/dbraw/zinc/89/78/81/230897881.db2.gz VYICPBQZUHHUGL-UHFFFAOYSA-N 1 0 392.543 5.348 40 0 GKABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000017078918 230898490 /nfs/dbraw/zinc/89/84/90/230898490.db2.gz YGXZPTISGWHIBD-UHFFFAOYSA-N 1 0 386.495 5.114 40 0 GKABRO C[C@@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000123211887 231025069 /nfs/dbraw/zinc/02/50/69/231025069.db2.gz DCQBOIHKCBTVFH-OWBFZDFVSA-N 1 0 397.647 5.943 40 0 GKABRO C[NH+](C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1 ZINC000242697064 231039903 /nfs/dbraw/zinc/03/99/03/231039903.db2.gz CYCKDQSMHMYGHN-UHFFFAOYSA-N 1 0 389.547 5.158 40 0 GKABRO CN(C)c1ccc(-c2ccccc2)c([PH+](C2CCCCC2)C2CCCCC2)c1 ZINC000504821450 529774309 /nfs/dbraw/zinc/77/43/09/529774309.db2.gz KVFYTWVSMVETPA-UHFFFAOYSA-N 1 0 393.555 7.192 40 0 GKABRO Cc1noc(C)c1-c1ccnc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)c1 ZINC000257229737 222759296 /nfs/dbraw/zinc/75/92/96/222759296.db2.gz FZHPKUWZQYUWBW-UHFFFAOYSA-N 1 0 386.499 5.214 40 0 GKABRO C[C@]12CC3CC([NH2+]Cc4ccccc4OCc4ccccc4F)(C1)C[C@@](C)(C3)C2 ZINC000008534560 209785606 /nfs/dbraw/zinc/78/56/06/209785606.db2.gz TWTLOFLDOWMSEJ-JZHSQQRGSA-N 1 0 393.546 6.243 40 0 GKABRO CC(C)CC[C@@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000005205099 209580221 /nfs/dbraw/zinc/58/02/21/209580221.db2.gz PGUXKYVXWOCCMQ-HLAWJBBLSA-N 1 0 380.016 6.638 40 0 GKABRO Cc1ccc2nc(Nc3ccc(Cl)cc3)cc([C@H](O)[C@H]3CCCC[NH2+]3)c2c1 ZINC000001597062 209333595 /nfs/dbraw/zinc/33/35/95/209333595.db2.gz OPHSUDOCLFJDKP-IRLDBZIGSA-N 1 0 381.907 5.116 40 0 GKABRO CC(C)[N@H+](CCOc1ccccc1Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000001586352 209333363 /nfs/dbraw/zinc/33/33/63/209333363.db2.gz JYNROYWSNGVCPT-RUZDIDTESA-N 1 0 389.539 5.100 40 0 GKABRO CC(C)[NH+](C[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1)C(C)C ZINC000001670737 209335459 /nfs/dbraw/zinc/33/54/59/209335459.db2.gz JFCLMTIMGUTHPR-AREMUKBSSA-N 1 0 387.567 5.825 40 0 GKABRO CCC[C@@]1(CN2c3ccccc3Sc3ccc(Cl)cc32)CC[N@H+](CC)C1 ZINC000001726495 212254418 /nfs/dbraw/zinc/25/44/18/212254418.db2.gz RNABUSFDZDWNAG-JOCHJYFZSA-N 1 0 386.992 6.455 40 0 GKABRO CC(C)CC(CC(C)C)[NH2+]C[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000001710591 203918061 /nfs/dbraw/zinc/91/80/61/203918061.db2.gz CQYGOPXPFJSUBO-NRFANRHFSA-N 1 0 395.587 5.801 40 0 GKABRO CCCC[C@@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004109023 204027999 /nfs/dbraw/zinc/02/79/99/204027999.db2.gz UJRIBUDZMNUBLS-QQJYNPJZSA-N 1 0 383.532 5.037 40 0 GKABRO CCCCCC[NH+](CCCCCC)CCC[C@H](O)c1cccc2ccccc21 ZINC000004428956 204044814 /nfs/dbraw/zinc/04/48/14/204044814.db2.gz JOCVEBLBLYTIRB-SANMLTNESA-N 1 0 383.620 7.116 40 0 GKABRO c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000005105036 204112795 /nfs/dbraw/zinc/11/27/95/204112795.db2.gz PIWBBRRXNVVFGQ-RRPNLBNLSA-N 1 0 395.550 5.943 40 0 GKABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000005151803 204115050 /nfs/dbraw/zinc/11/50/50/204115050.db2.gz BYWHFODVRVSDOY-PUHATCMVSA-N 1 0 385.935 5.217 40 0 GKABRO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000005163801 204116440 /nfs/dbraw/zinc/11/64/40/204116440.db2.gz IFBKQBARPJGXJC-QDSKXPNFSA-N 1 0 383.507 5.093 40 0 GKABRO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCCC2)c1C ZINC000035292370 204157120 /nfs/dbraw/zinc/15/71/20/204157120.db2.gz QVIKRDCLLXFUFS-VCSGRIEYSA-N 1 0 385.621 5.308 40 0 GKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2c(N)cccc12 ZINC000005421834 204130302 /nfs/dbraw/zinc/13/03/02/204130302.db2.gz QXNYXDPHEZDGAU-XMMPIXPASA-N 1 0 391.559 5.420 40 0 GKABRO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccccc1Cl ZINC000006857430 204215911 /nfs/dbraw/zinc/21/59/11/204215911.db2.gz WPAUSDOOZAWOSD-UHFFFAOYSA-N 1 0 389.967 6.232 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006857358 204216435 /nfs/dbraw/zinc/21/64/35/204216435.db2.gz OZCJRSIUWJGFSW-UHFFFAOYSA-N 1 0 377.931 6.363 40 0 GKABRO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000007261078 204237533 /nfs/dbraw/zinc/23/75/33/204237533.db2.gz BYDSJMYCDBLZRJ-UHFFFAOYSA-N 1 0 396.358 6.251 40 0 GKABRO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000007261635 204237818 /nfs/dbraw/zinc/23/78/18/204237818.db2.gz QHPSSQKPNUJCPQ-UHFFFAOYSA-N 1 0 382.331 5.861 40 0 GKABRO CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000007261663 204237968 /nfs/dbraw/zinc/23/79/68/204237968.db2.gz YYKOBSFHLAKQMP-UHFFFAOYSA-N 1 0 382.729 5.571 40 0 GKABRO C[C@@H](O)C[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008535041 204279818 /nfs/dbraw/zinc/27/98/18/204279818.db2.gz AQSMISLADGCHHH-CQSZACIVSA-N 1 0 390.310 5.196 40 0 GKABRO C[C@H]([NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21)c1ccccc1 ZINC000008534227 204279838 /nfs/dbraw/zinc/27/98/38/204279838.db2.gz WCVMIZJDKKRQHE-IBGZPJMESA-N 1 0 385.482 6.409 40 0 GKABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008253407 204267756 /nfs/dbraw/zinc/26/77/56/204267756.db2.gz RUNOKSPQMMSEDS-DELCKGKKSA-N 1 0 382.375 6.231 40 0 GKABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008253142 204267867 /nfs/dbraw/zinc/26/78/67/204267867.db2.gz MTVHIHFWXQALDF-UHFFFAOYSA-N 1 0 398.330 5.097 40 0 GKABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccc(C)n3)on2)cc1 ZINC000012088740 204371401 /nfs/dbraw/zinc/37/14/01/204371401.db2.gz ITKJIEVMLLDIAR-QFIPXVFZSA-N 1 0 377.488 5.171 40 0 GKABRO Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038859850 205040738 /nfs/dbraw/zinc/04/07/38/205040738.db2.gz GYILZHBUMBPJKP-IBGZPJMESA-N 1 0 384.951 5.623 40 0 GKABRO CCc1cccc(CC)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038856182 205041069 /nfs/dbraw/zinc/04/10/69/205041069.db2.gz BMUWTNNAFSQBKE-HXUWFJFHSA-N 1 0 384.951 5.316 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856509 205087883 /nfs/dbraw/zinc/08/78/83/205087883.db2.gz AMNKTYCPTGQFCA-QHCPKHFHSA-N 1 0 398.978 5.436 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C)cc1C ZINC000044856720 205088071 /nfs/dbraw/zinc/08/80/71/205088071.db2.gz MCBWVNLZHJZTNE-XMMPIXPASA-N 1 0 378.560 5.416 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856505 205088146 /nfs/dbraw/zinc/08/81/46/205088146.db2.gz YJPQLEGOJQLXCF-DEOSSOPVSA-N 1 0 378.560 5.091 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856508 205088402 /nfs/dbraw/zinc/08/84/02/205088402.db2.gz YWZLVPZDJIFVBN-XMMPIXPASA-N 1 0 378.560 5.091 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(C)cc1C ZINC000044856661 205088688 /nfs/dbraw/zinc/08/86/88/205088688.db2.gz GXZVQAONJYIFNI-DEOSSOPVSA-N 1 0 378.560 5.091 40 0 GKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000044906135 205089602 /nfs/dbraw/zinc/08/96/02/205089602.db2.gz KKYFASAQTSDEPF-FQEVSTJZSA-N 1 0 392.587 5.851 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000044935048 205090414 /nfs/dbraw/zinc/09/04/14/205090414.db2.gz GOKIVNUZCNTYBF-NRFANRHFSA-N 1 0 398.550 5.353 40 0 GKABRO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C(C)C ZINC000223313994 211829263 /nfs/dbraw/zinc/82/92/63/211829263.db2.gz WTCGBMQHQRTTEY-LJQANCHMSA-N 1 0 394.559 5.214 40 0 GKABRO Cc1cccnc1Nc1ccc([C@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)nc1 ZINC000072353101 205331833 /nfs/dbraw/zinc/33/18/33/205331833.db2.gz GKWIBSVZUQSREJ-XMMPIXPASA-N 1 0 395.510 5.414 40 0 GKABRO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)cc1 ZINC000072380356 205340095 /nfs/dbraw/zinc/34/00/95/205340095.db2.gz WFKGAVIDTPPUDN-HXUWFJFHSA-N 1 0 386.474 5.144 40 0 GKABRO C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534890 205822833 /nfs/dbraw/zinc/82/28/33/205822833.db2.gz ZRZNMIRHKKTMQC-PXLFARDKSA-N 1 0 375.556 5.960 40 0 GKABRO CCN(CC)CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022075512 205941573 /nfs/dbraw/zinc/94/15/73/205941573.db2.gz PGVLXVGIQJNWKO-UHFFFAOYSA-N 1 0 381.347 5.004 40 0 GKABRO Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C ZINC000223487849 206001642 /nfs/dbraw/zinc/00/16/42/206001642.db2.gz YTQKSPWJZPIAEK-PZJWPPBQSA-N 1 0 398.978 5.355 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)CC1 ZINC000224331997 206019080 /nfs/dbraw/zinc/01/90/80/206019080.db2.gz HQHVJSRNLASAMD-UHFFFAOYSA-N 1 0 399.538 5.157 40 0 GKABRO COc1ccc(-c2cccc(C[NH2+][C@@H](C)c3nc4ccccc4n3C(C)C)c2)cc1 ZINC000257308232 206176285 /nfs/dbraw/zinc/17/62/85/206176285.db2.gz TVXYUIPTCAZTCB-IBGZPJMESA-N 1 0 399.538 6.144 40 0 GKABRO COc1ccc(CNc2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cc1 ZINC000257260850 206167943 /nfs/dbraw/zinc/16/79/43/206167943.db2.gz LESKYBZUDJXCFQ-HXUWFJFHSA-N 1 0 379.548 5.214 40 0 GKABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C1 ZINC000216827399 206253918 /nfs/dbraw/zinc/25/39/18/206253918.db2.gz UTLVCHQJCAVPER-GJZGRUSLSA-N 1 0 399.332 5.735 40 0 GKABRO CC[N@H+](C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 ZINC000026780333 206253962 /nfs/dbraw/zinc/25/39/62/206253962.db2.gz TUQOGILPLXCTIJ-JOCHJYFZSA-N 1 0 389.624 5.795 40 0 GKABRO C[C@@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000028539649 206261712 /nfs/dbraw/zinc/26/17/12/206261712.db2.gz JALVTHFTYRPDMB-HRRTYWNUSA-N 1 0 399.663 5.735 40 0 GKABRO CC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000008227132 211630023 /nfs/dbraw/zinc/63/00/23/211630023.db2.gz PKXXZWWPPCEIPB-UHFFFAOYSA-N 1 0 398.728 5.190 40 0 GKABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000106674283 211628835 /nfs/dbraw/zinc/62/88/35/211628835.db2.gz NOQYIASRNSNDSL-FHWLQOOXSA-N 1 0 387.608 6.090 40 0 GKABRO Cc1ccc(C(=[NH2+])c2ccccc2Cc2cccc3ccccc32)c2ccccc12 ZINC000001656992 206388533 /nfs/dbraw/zinc/38/85/33/206388533.db2.gz KWMDFXCWUUOHPX-UHFFFAOYSA-N 1 0 385.510 7.308 40 0 aggregator,in-vitro GKABRO CC[NH+](CC)CC[C@H](CNc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000001700327 206390244 /nfs/dbraw/zinc/39/02/44/206390244.db2.gz MTCDAAIAIIMJHW-LJQANCHMSA-N 1 0 381.951 5.816 40 0 GKABRO Cc1ccc2oc(-c3cc(Br)c[n+](Cc4ccccc4F)c3)nc2c1 ZINC000226308053 211480205 /nfs/dbraw/zinc/48/02/05/211480205.db2.gz SFLLMQUKGFJWLO-UHFFFAOYSA-N 1 0 398.255 5.041 40 0 GKABRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nnn3cc(-c4cccc(F)c4)ccc23)cc1 ZINC000096156565 211314098 /nfs/dbraw/zinc/31/40/98/211314098.db2.gz QRDSGGFHTAIRRB-JOCHJYFZSA-N 1 0 386.474 5.181 40 0 GKABRO c1ccc(C[N@@H+]2CC[C@H](C3CCN(c4nc5ccccc5s4)CC3)C2)cc1 ZINC000095951697 211285622 /nfs/dbraw/zinc/28/56/22/211285622.db2.gz MQSWFIWXVDTWDY-FQEVSTJZSA-N 1 0 377.557 5.035 40 0 GKABRO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000072359223 211101193 /nfs/dbraw/zinc/10/11/93/211101193.db2.gz FKJFPQDDQYXFBZ-HXUWFJFHSA-N 1 0 386.474 5.144 40 0 GKABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3cccc(OC)c3)n2)cc1 ZINC000072357533 211099079 /nfs/dbraw/zinc/09/90/79/211099079.db2.gz YOMDHWZRVOPJEB-VWLOTQADSA-N 1 0 388.511 5.027 40 0 GKABRO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000007261250 206706720 /nfs/dbraw/zinc/70/67/20/206706720.db2.gz GZZOAIKROLDPAC-UHFFFAOYSA-N 1 0 379.903 5.737 40 0 GKABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471642 206751776 /nfs/dbraw/zinc/75/17/76/206751776.db2.gz QKAUXWKBKQAKEP-UHFFFAOYSA-N 1 0 380.315 5.613 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc(F)cc1Cl ZINC000008471710 206751985 /nfs/dbraw/zinc/75/19/85/206751985.db2.gz QXELGUYMHBLXAA-UHFFFAOYSA-N 1 0 391.914 5.879 40 0 GKABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471394 206752572 /nfs/dbraw/zinc/75/25/72/206752572.db2.gz GWJFHQUZPOLOGR-UHFFFAOYSA-N 1 0 394.342 6.003 40 0 GKABRO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1CC1CCCCC1)c1ccccn1 ZINC000019081700 207102311 /nfs/dbraw/zinc/10/23/11/207102311.db2.gz OSGBAJHDRQKEEV-IRLDBZIGSA-N 1 0 385.596 5.110 40 0 GKABRO CCn1c2ccccc2c2cc(CN3CC[NH+](C[C@@H]4C[C@@H]5C=C[C@H]4C5)CC3)ccc21 ZINC000019889658 207168079 /nfs/dbraw/zinc/16/80/79/207168079.db2.gz XXBYUKOZMOTUIR-PUHATCMVSA-N 1 0 399.582 5.144 40 0 GKABRO Cc1ccc([C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1 ZINC000020492162 207198887 /nfs/dbraw/zinc/19/88/87/207198887.db2.gz CCCDVLCASYZCOE-RUZDIDTESA-N 1 0 384.523 5.110 40 0 GKABRO Cc1ccc([C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1 ZINC000020492161 207198914 /nfs/dbraw/zinc/19/89/14/207198914.db2.gz CCCDVLCASYZCOE-VWLOTQADSA-N 1 0 384.523 5.110 40 0 GKABRO Clc1ccc(COc2ccccc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022073754 207245958 /nfs/dbraw/zinc/24/59/58/207245958.db2.gz FIJWHDHAAPERKZ-UHFFFAOYSA-N 1 0 381.947 5.977 40 0 GKABRO Clc1ccc(COc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073756 207247161 /nfs/dbraw/zinc/24/71/61/207247161.db2.gz VYIZNYGSXSLGPQ-UHFFFAOYSA-N 1 0 381.947 5.833 40 0 GKABRO Brc1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1 ZINC000022076620 207247340 /nfs/dbraw/zinc/24/73/40/207247340.db2.gz IGKXJLBGUBJEMU-UHFFFAOYSA-N 1 0 395.300 5.523 40 0 GKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000022076613 207247479 /nfs/dbraw/zinc/24/74/79/207247479.db2.gz LXEMTRVAIBOROJ-UHFFFAOYSA-N 1 0 386.289 5.050 40 0 GKABRO Cc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408154 207253715 /nfs/dbraw/zinc/25/37/15/207253715.db2.gz FEFZFAVMMROZMU-MHZLTWQESA-N 1 0 397.542 5.312 40 0 GKABRO Cc1nn2c(nc(-c3ccccc3)cc2Nc2cc[nH+]cc2)c1-c1ccccc1 ZINC000027585017 207327583 /nfs/dbraw/zinc/32/75/83/207327583.db2.gz LZOYGJDAXKFQNA-UHFFFAOYSA-N 1 0 377.451 5.510 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000030754445 207373870 /nfs/dbraw/zinc/37/38/70/207373870.db2.gz JAYGMOYGEVDBII-UHFFFAOYSA-N 1 0 376.422 5.190 40 0 GKABRO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030944261 207378076 /nfs/dbraw/zinc/37/80/76/207378076.db2.gz GGKPPAAEZZLFGB-UHFFFAOYSA-N 1 0 398.550 5.582 40 0 GKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000044873420 207640734 /nfs/dbraw/zinc/64/07/34/207640734.db2.gz LMOBZHJFCBNAEA-UHFFFAOYSA-N 1 0 384.523 5.270 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C)cc1C ZINC000044856719 207642938 /nfs/dbraw/zinc/64/29/38/207642938.db2.gz MCBWVNLZHJZTNE-DEOSSOPVSA-N 1 0 378.560 5.416 40 0 GKABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)o1 ZINC000072389935 208012751 /nfs/dbraw/zinc/01/27/51/208012751.db2.gz ZMWVYCWXGBWMER-UHFFFAOYSA-N 1 0 390.512 5.034 40 0 GKABRO O=C(Nc1ccccc1)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096214623 208286363 /nfs/dbraw/zinc/28/63/63/208286363.db2.gz NGUHJQYADNCEEH-QFIPXVFZSA-N 1 0 383.923 5.003 40 0 GKABRO COc1cccc(Cc2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3cnc(C)s3)c2)c1 ZINC000019691977 210282637 /nfs/dbraw/zinc/28/26/37/210282637.db2.gz YDADNWSUEWFBOI-QHCPKHFHSA-N 1 0 393.556 5.091 40 0 GKABRO CC(C)CC[C@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000027246967 208916338 /nfs/dbraw/zinc/91/63/38/208916338.db2.gz ZTFDNQNGHGRAFN-DQEYMECFSA-N 1 0 381.560 5.286 40 0 GKABRO CC[NH+](CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000006869542 220972693 /nfs/dbraw/zinc/97/26/93/220972693.db2.gz ARUMFDCVQBCGJA-UHFFFAOYSA-N 1 0 399.542 5.150 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000007260993 220990896 /nfs/dbraw/zinc/99/08/96/220990896.db2.gz AQBUBJZEPAPBPW-UHFFFAOYSA-N 1 0 394.328 5.837 40 0 GKABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCc1ccccc1Cl ZINC000008326674 221036691 /nfs/dbraw/zinc/03/66/91/221036691.db2.gz XGJPOLJEFFJEEX-AWEZNQCLSA-N 1 0 382.331 5.859 40 0 GKABRO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccccc1 ZINC000008470290 221042337 /nfs/dbraw/zinc/04/23/37/221042337.db2.gz PKEKJVBFLDZVSF-UHFFFAOYSA-N 1 0 390.321 5.069 40 0 GKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008535303 221043318 /nfs/dbraw/zinc/04/33/18/221043318.db2.gz HKJADPZSPNBQAD-MRXNPFEDSA-N 1 0 399.893 5.918 40 0 GKABRO Fc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000016401623 221362445 /nfs/dbraw/zinc/36/24/45/221362445.db2.gz PSQLAWWNFMXAEB-UHFFFAOYSA-N 1 0 390.285 6.001 40 0 GKABRO Clc1ccc(OCc2ccccc2)c(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000016480541 221363402 /nfs/dbraw/zinc/36/34/02/221363402.db2.gz APZZWGKISRCMJO-UHFFFAOYSA-N 1 0 390.914 5.733 40 0 GKABRO Fc1ccc(C[NH2+]Cc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000016525981 221364911 /nfs/dbraw/zinc/36/49/11/221364911.db2.gz ZXBCDSYUNHJDMW-UHFFFAOYSA-N 1 0 389.445 5.987 40 0 GKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccs2)cc1 ZINC000016526005 221365007 /nfs/dbraw/zinc/36/50/07/221365007.db2.gz JFETUQLPOJBSGW-UHFFFAOYSA-N 1 0 393.939 6.424 40 0 GKABRO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc12 ZINC000057718300 136153864 /nfs/dbraw/zinc/15/38/64/136153864.db2.gz MHLYIEOFRAMIOJ-CALCHBBNSA-N 1 0 389.543 5.239 40 0 GKABRO Cc1cc2cc(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2cc1C ZINC000057718331 136153907 /nfs/dbraw/zinc/15/39/07/136153907.db2.gz FFZWFGHYDASNPY-IRXDYDNUSA-N 1 0 389.543 5.239 40 0 GKABRO Clc1ccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348831 222234314 /nfs/dbraw/zinc/23/43/14/222234314.db2.gz OVLZWAZWZNBFIE-FQEVSTJZSA-N 1 0 377.919 5.100 40 0 GKABRO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072358163 222239005 /nfs/dbraw/zinc/23/90/05/222239005.db2.gz WYISXSMIIBZOEK-OAQYLSRUSA-N 1 0 390.449 5.007 40 0 GKABRO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072357690 222239874 /nfs/dbraw/zinc/23/98/74/222239874.db2.gz QDSAPAYGHIORFN-JOCHJYFZSA-N 1 0 397.444 5.423 40 0 GKABRO Cc1cccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375353 222242740 /nfs/dbraw/zinc/24/27/40/222242740.db2.gz GQIFVGDUWZNBKE-QHCPKHFHSA-N 1 0 395.510 5.414 40 0 GKABRO O=C1CC2=C[N@@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@@H]2S1 ZINC000095708205 222359627 /nfs/dbraw/zinc/35/96/27/222359627.db2.gz XIFAJGMIPXJJEJ-DEOSSOPVSA-N 1 0 397.543 5.600 40 0 GKABRO C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC/C(=C/[NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118929845 222522893 /nfs/dbraw/zinc/52/28/93/222522893.db2.gz WPOIDUGUNBOEGE-PVORQROWSA-N 1 0 385.636 6.150 40 0 GKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccc(Cl)cc1Cl ZINC000408581159 534509141 /nfs/dbraw/zinc/50/91/41/534509141.db2.gz GWGUQPBQZUAVGP-UHFFFAOYSA-N 1 0 383.363 5.899 40 0 GKABRO Clc1ccccc1COc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000022073760 534651622 /nfs/dbraw/zinc/65/16/22/534651622.db2.gz UULSIZXNUZTFAO-UHFFFAOYSA-N 1 0 381.947 5.833 40 0 GKABRO O=C(c1ccccc1-c1ccccc1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408608975 534747158 /nfs/dbraw/zinc/74/71/58/534747158.db2.gz NHRXLNVMXYBAAI-DEOSSOPVSA-N 1 0 396.534 5.017 40 0 GKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCCCC4)C=C3C)nc21 ZINC000077262175 560046730 /nfs/dbraw/zinc/04/67/30/560046730.db2.gz PEFKXCXWVYWTJH-FUDKSRODSA-N 1 0 393.619 6.191 40 0 biogenic,in-vitro GKABRO Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000008636067 560210537 /nfs/dbraw/zinc/21/05/37/560210537.db2.gz QQSLZBHBAAODFJ-DNQXCXABSA-N 1 0 385.555 5.814 40 0 biogenic,in-vitro GKABRO Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000012603350 560213287 /nfs/dbraw/zinc/21/32/87/560213287.db2.gz LVIOUUDQPULVTK-WIYYLYMNSA-N 1 0 395.909 5.484 40 0 biogenic,in-vitro GKABRO Cn1cnc2c1cc(C1CC[NH+](Cc3cccs3)CC1)nc2-c1ccccc1 ZINC000096099923 570210328 /nfs/dbraw/zinc/21/03/28/570210328.db2.gz NYGFPLOYSUFDRB-UHFFFAOYSA-N 1 0 388.540 5.076 40 0 GKABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000005151794 570243026 /nfs/dbraw/zinc/24/30/26/570243026.db2.gz BYWHFODVRVSDOY-PMVMPFDFSA-N 1 0 385.935 5.217 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)CC1 ZINC000020458164 570259993 /nfs/dbraw/zinc/25/99/93/570259993.db2.gz ONODHBRMZQXUMT-UHFFFAOYSA-N 1 0 377.315 5.478 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020494940 570263913 /nfs/dbraw/zinc/26/39/13/570263913.db2.gz LPFXLMJUODRXGG-FQEVSTJZSA-N 1 0 384.523 5.044 40 0 GKABRO CC(C)CC[C@@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 ZINC000102777354 570292212 /nfs/dbraw/zinc/29/22/12/570292212.db2.gz PGUXKYVXWOCCMQ-GIVPXCGWSA-N 1 0 380.016 6.638 40 0 GKABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000216431194 570301681 /nfs/dbraw/zinc/30/16/81/570301681.db2.gz XADOBRBXCQHALO-HSZRJFAPSA-N 1 0 390.527 5.478 40 0 GKABRO CC(C)Sc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000105109783 570304270 /nfs/dbraw/zinc/30/42/70/570304270.db2.gz FJYLSHKGFSEMRW-UHFFFAOYSA-N 1 0 382.573 5.103 40 0 GKABRO Clc1ccc(COc2cccc(C[NH2+]C3C4CC5CC(C4)CC3C5)c2)cc1 ZINC000022073796 570304855 /nfs/dbraw/zinc/30/48/55/570304855.db2.gz XZHFRBYWIYUAKG-UHFFFAOYSA-N 1 0 381.947 5.833 40 0 GKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000022076839 570305368 /nfs/dbraw/zinc/30/53/68/570305368.db2.gz NLQFVSFEOHTTCJ-UHFFFAOYSA-N 1 0 376.283 5.594 40 0 GKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1OC ZINC000022107462 570306095 /nfs/dbraw/zinc/30/60/95/570306095.db2.gz BOMSZDOGXRPBDK-UHFFFAOYSA-N 1 0 389.854 5.089 40 0 GKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214881 570314899 /nfs/dbraw/zinc/31/48/99/570314899.db2.gz NKOMTUGBRZDLPM-IBGZPJMESA-N 1 0 375.557 5.415 40 0 GKABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214644 570314982 /nfs/dbraw/zinc/31/49/82/570314982.db2.gz DEVNVXJSJKUVFS-NRFANRHFSA-N 1 0 395.547 5.570 40 0 GKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215149 570315272 /nfs/dbraw/zinc/31/52/72/570315272.db2.gz XHNAJCRHCOEWQH-PKOBYXMFSA-N 1 0 375.557 5.559 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072215041 570315358 /nfs/dbraw/zinc/31/53/58/570315358.db2.gz RUNNERZIWNVLAN-IBGZPJMESA-N 1 0 375.557 5.416 40 0 GKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214943 570315479 /nfs/dbraw/zinc/31/54/79/570315479.db2.gz JYQLYNQTGXZVRB-IBGZPJMESA-N 1 0 375.557 5.559 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1 ZINC000072214996 570315496 /nfs/dbraw/zinc/31/54/96/570315496.db2.gz YDPCEZGLYMBEIH-IBGZPJMESA-N 1 0 375.557 5.560 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072215058 570315521 /nfs/dbraw/zinc/31/55/21/570315521.db2.gz KWUPSOLEGLESKP-IBGZPJMESA-N 1 0 375.557 5.559 40 0 GKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215580 570315754 /nfs/dbraw/zinc/31/57/54/570315754.db2.gz UORLYTLUZJUJOS-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215262 570315771 /nfs/dbraw/zinc/31/57/71/570315771.db2.gz BBPQBFQFULUFJU-HKUYNNGSSA-N 1 0 375.557 5.559 40 0 GKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215467 570315858 /nfs/dbraw/zinc/31/58/58/570315858.db2.gz LAIPOPSNDCCQTE-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215527 570315871 /nfs/dbraw/zinc/31/58/71/570315871.db2.gz JPFZUPSGKWYRFV-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072215264 570315919 /nfs/dbraw/zinc/31/59/19/570315919.db2.gz WHYSFGGFJLOLIP-HKUYNNGSSA-N 1 0 375.557 5.557 40 0 GKABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215806 570316455 /nfs/dbraw/zinc/31/64/55/570316455.db2.gz WVVDDFYXQSFXBT-NRFANRHFSA-N 1 0 395.547 5.948 40 0 GKABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215804 570316462 /nfs/dbraw/zinc/31/64/62/570316462.db2.gz HZIYZJAHEOFAPC-FQEVSTJZSA-N 1 0 381.520 5.702 40 0 GKABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215744 570316699 /nfs/dbraw/zinc/31/66/99/570316699.db2.gz BDPAOGILRIQFMA-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO C[C@H]([NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H](O)c1ccccc1 ZINC000022076520 570320795 /nfs/dbraw/zinc/32/07/95/570320795.db2.gz MHMDAILTNWMDLK-RBZFPXEDSA-N 1 0 376.283 5.465 40 0 GKABRO C[C@H]([NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022076567 570321001 /nfs/dbraw/zinc/32/10/01/570321001.db2.gz RXJHWJVVFQJHSU-RBZFPXEDSA-N 1 0 376.283 5.465 40 0 GKABRO CC(C)[C@@H]1C[C@H](c2ccccc2F)CO[C@H]1c1ccc(OCC[NH+](C)C)cc1 ZINC000585291014 570321631 /nfs/dbraw/zinc/32/16/31/570321631.db2.gz ZFIFVULMNHLKPH-APTRMMRNSA-N 1 0 385.523 5.284 40 0 GKABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935602 570322618 /nfs/dbraw/zinc/32/26/18/570322618.db2.gz NFACPVZLNYPVAJ-UNMCSNQZSA-N 1 0 384.951 5.128 40 0 GKABRO COc1ccccc1-c1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C(C)C)cc1 ZINC000035316522 570325148 /nfs/dbraw/zinc/32/51/48/570325148.db2.gz DNGNTHBBXXULHN-LJQANCHMSA-N 1 0 399.538 6.144 40 0 GKABRO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118917269 570367661 /nfs/dbraw/zinc/36/76/61/570367661.db2.gz JVKYZPBMZPJNAJ-WGVCLDRHSA-N 1 0 397.647 5.655 40 0 GKABRO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118919207 570367674 /nfs/dbraw/zinc/36/76/74/570367674.db2.gz JALVTHFTYRPDMB-OGHDWJBXSA-N 1 0 399.663 5.735 40 0 in-man GKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@H+]2C[C@@H](C)CC[C@@H]12 ZINC000118919210 570367700 /nfs/dbraw/zinc/36/77/00/570367700.db2.gz JALVTHFTYRPDMB-VXPJTDKGSA-N 1 0 399.663 5.735 40 0 in-man GKABRO COc1cccc(C[NH2+]Cc2cc3sccc3n2Cc2ccc(F)cc2)c1 ZINC000057719538 570371362 /nfs/dbraw/zinc/37/13/62/570371362.db2.gz HOTQKIAVKAGPBA-UHFFFAOYSA-N 1 0 380.488 5.189 40 0 GKABRO Fc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc1F ZINC000057773949 570373722 /nfs/dbraw/zinc/37/37/22/570373722.db2.gz ZPERQDUTUFAGRH-JKSUJKDBSA-N 1 0 389.396 5.009 40 0 GKABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000057774466 570373773 /nfs/dbraw/zinc/37/37/73/570373773.db2.gz HLXLYAKKZZYYOS-AWEZNQCLSA-N 1 0 393.384 5.069 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1ccc2c3c(cccc31)CC2 ZINC000004428575 570375012 /nfs/dbraw/zinc/37/50/12/570375012.db2.gz TTZXZNPNHMBVGF-VWLOTQADSA-N 1 0 381.604 6.434 40 0 GKABRO CC(C)c1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000219965310 570379065 /nfs/dbraw/zinc/37/90/65/570379065.db2.gz HGOKORHVPPAJBC-UHFFFAOYSA-N 1 0 392.587 5.549 40 0 GKABRO C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537500 570382679 /nfs/dbraw/zinc/38/26/79/570382679.db2.gz IQLZCASNMJLIBW-WEHRJKGCSA-N 1 0 377.915 5.676 40 0 GKABRO Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001281046 570387707 /nfs/dbraw/zinc/38/77/07/570387707.db2.gz ZZVHYASBUBDRQF-MHZLTWQESA-N 1 0 395.550 5.915 40 0 GKABRO CCCC[C@@H](CC)C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H](CC)CCCC ZINC000004792159 570406042 /nfs/dbraw/zinc/40/60/42/570406042.db2.gz UNCPULXBAXBGOC-IMSXRSKXSA-N 1 0 396.059 7.108 40 0 GKABRO C[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000004802808 570406324 /nfs/dbraw/zinc/40/63/24/570406324.db2.gz BEWVWNGYSGPFME-PAWHMVCQSA-N 1 0 391.942 5.726 40 0 GKABRO C[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000004802806 570406328 /nfs/dbraw/zinc/40/63/28/570406328.db2.gz BEWVWNGYSGPFME-XELASAAXSA-N 1 0 391.942 5.726 40 0 GKABRO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000222799938 570426478 /nfs/dbraw/zinc/42/64/78/570426478.db2.gz FPYFOXPXYKCGGO-UHFFFAOYSA-N 1 0 392.930 5.022 40 0 GKABRO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000222876038 570429785 /nfs/dbraw/zinc/42/97/85/570429785.db2.gz NIUIDOWWBSYOQA-UHFFFAOYSA-N 1 0 392.930 5.022 40 0 GKABRO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000222876097 570429901 /nfs/dbraw/zinc/42/99/01/570429901.db2.gz AVRBBRDPOXQZDE-UHFFFAOYSA-N 1 0 392.930 5.022 40 0 GKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222963351 570433389 /nfs/dbraw/zinc/43/33/89/570433389.db2.gz ONEQJTNLGGYIES-FQEVSTJZSA-N 1 0 390.571 5.288 40 0 GKABRO CCCC[C@@H](CC)C[C@H](CC)C[N@@H+](CCO)C[C@@H](CC)C[C@@H](CC)CCCC ZINC000005298578 570433638 /nfs/dbraw/zinc/43/36/38/570433638.db2.gz BZWSJGSYMPLHGS-QYOOZWMWSA-N 1 0 397.732 7.546 40 0 GKABRO COc1ccc(C[C@]2(C)Nc3ccc(Cl)cc3[C@H](c3ccccc3)N2)cc1 ZINC000006795849 570438745 /nfs/dbraw/zinc/43/87/45/570438745.db2.gz DCAPFEPXFYKQPL-XZOQPEGZSA-N 1 0 378.903 5.412 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223068765 570441049 /nfs/dbraw/zinc/44/10/49/570441049.db2.gz QEQDFPUNHPYEQB-XMMPIXPASA-N 1 0 376.544 5.042 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223068951 570441227 /nfs/dbraw/zinc/44/12/27/570441227.db2.gz AOSAUWUSYNLGBG-VWLOTQADSA-N 1 0 390.571 5.432 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000039766010 570446046 /nfs/dbraw/zinc/44/60/46/570446046.db2.gz QOUXHDVZFSHOFW-HXUWFJFHSA-N 1 0 392.587 5.382 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000039767440 570446055 /nfs/dbraw/zinc/44/60/55/570446055.db2.gz UDOWIMYISJWSDL-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039763541 570446140 /nfs/dbraw/zinc/44/61/40/570446140.db2.gz HMRDPDNWTJPNEZ-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039768072 570446574 /nfs/dbraw/zinc/44/65/74/570446574.db2.gz DKVCCXDJMMXHMJ-SFHVURJKSA-N 1 0 384.951 5.046 40 0 GKABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1Cl ZINC000039749849 570447566 /nfs/dbraw/zinc/44/75/66/570447566.db2.gz PAXXQYPJXJENST-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223231854 570451355 /nfs/dbraw/zinc/45/13/55/570451355.db2.gz YZMGAWAEOLDXSB-IBGZPJMESA-N 1 0 376.544 5.042 40 0 GKABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028221049 570452853 /nfs/dbraw/zinc/45/28/53/570452853.db2.gz SLYVGIMHKHSJII-INIZCTEOSA-N 1 0 377.315 5.153 40 0 GKABRO CC(C)(C)c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000026416589 570464484 /nfs/dbraw/zinc/46/44/84/570464484.db2.gz LOOBJVYRGNKAQQ-UHFFFAOYSA-N 1 0 391.584 5.430 40 0 GKABRO S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035311820 570467193 /nfs/dbraw/zinc/46/71/93/570467193.db2.gz WGRQTJGEOFNLDQ-YQQQUEKLSA-N 1 0 399.991 5.212 40 0 GKABRO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000223458849 570467460 /nfs/dbraw/zinc/46/74/60/570467460.db2.gz MLBFKTYYLFBKAT-UTKZUKDTSA-N 1 0 378.560 5.335 40 0 GKABRO Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)=C1C[NH+]1CCCCC1 ZINC000006208048 570471902 /nfs/dbraw/zinc/47/19/02/570471902.db2.gz XHGWNYKNHYKTLO-HHHXNRCGSA-N 1 0 395.546 6.417 40 0 GKABRO Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)=C1C[NH+]1CCCCC1 ZINC000006223392 570472534 /nfs/dbraw/zinc/47/25/34/570472534.db2.gz XHGWNYKNHYKTLO-MHZLTWQESA-N 1 0 395.546 6.417 40 0 GKABRO CC(C)C[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000006883522 570498329 /nfs/dbraw/zinc/49/83/29/570498329.db2.gz GJHAGGLYBNUPSG-UHFFFAOYSA-N 1 0 388.338 6.471 40 0 GKABRO O[C@@H](c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000001567975 570500803 /nfs/dbraw/zinc/50/08/03/570500803.db2.gz ALUZCFMOHFZLKV-NQIIRXRSSA-N 1 0 387.310 5.384 40 0 GKABRO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030941337 570501413 /nfs/dbraw/zinc/50/14/13/570501413.db2.gz KHFIPQGJYKPQEJ-OAQYLSRUSA-N 1 0 386.495 5.330 40 0 GKABRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030938674 570501514 /nfs/dbraw/zinc/50/15/14/570501514.db2.gz IRSWWURYGSNYJB-CQSZACIVSA-N 1 0 397.733 5.498 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000030944264 570501788 /nfs/dbraw/zinc/50/17/88/570501788.db2.gz MHMQRUBKSSKFCK-UHFFFAOYSA-N 1 0 398.550 5.438 40 0 GKABRO CCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000007261345 570502036 /nfs/dbraw/zinc/50/20/36/570502036.db2.gz RSRDFWUAGOKCOT-UHFFFAOYSA-N 1 0 382.331 5.861 40 0 GKABRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000031819624 570506604 /nfs/dbraw/zinc/50/66/04/570506604.db2.gz HYBVVHAETRLEFE-QFIPXVFZSA-N 1 0 398.333 6.092 40 0 GKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OCC ZINC000007521193 570506702 /nfs/dbraw/zinc/50/67/02/570506702.db2.gz DNGLSDYFIUAQDO-UHFFFAOYSA-N 1 0 386.374 5.551 40 0 GKABRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000031819619 570506705 /nfs/dbraw/zinc/50/67/05/570506705.db2.gz HYBVVHAETRLEFE-JOCHJYFZSA-N 1 0 398.333 6.092 40 0 GKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCCc1ccccc1 ZINC000007540038 570507995 /nfs/dbraw/zinc/50/79/95/570507995.db2.gz STXSWVCIKTWAMX-UHFFFAOYSA-N 1 0 391.555 5.231 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)CC1 ZINC000224332420 570509428 /nfs/dbraw/zinc/50/94/28/570509428.db2.gz YYQWGONCTLYZGN-UHFFFAOYSA-N 1 0 384.523 5.423 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)CC1 ZINC000224331691 570509472 /nfs/dbraw/zinc/50/94/72/570509472.db2.gz QHYZEDSTNKJDLJ-UHFFFAOYSA-N 1 0 398.506 6.070 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)C1 ZINC000224335295 570509705 /nfs/dbraw/zinc/50/97/05/570509705.db2.gz ZBZJMWLCGFYQNB-SFHVURJKSA-N 1 0 384.523 5.423 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)C1 ZINC000224334154 570509781 /nfs/dbraw/zinc/50/97/81/570509781.db2.gz RATSHPHQVCCXEN-SFHVURJKSA-N 1 0 398.506 6.070 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000224527047 570516215 /nfs/dbraw/zinc/51/62/15/570516215.db2.gz BSCDCJPRQXAYDP-UHFFFAOYSA-N 1 0 398.506 5.745 40 0 GKABRO CC(C)(C)c1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224666919 570523581 /nfs/dbraw/zinc/52/35/81/570523581.db2.gz ZVQGEOXZSLIGJT-UHFFFAOYSA-N 1 0 392.587 5.219 40 0 GKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OC ZINC000008253644 570525665 /nfs/dbraw/zinc/52/56/65/570525665.db2.gz CKUSNDPVSRZJTI-NJMHRBNOSA-N 1 0 377.956 5.586 40 0 GKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)ccc1OCc1ccccc1 ZINC000008254642 570526029 /nfs/dbraw/zinc/52/60/29/570526029.db2.gz ZSCWABPIOFSYNF-UHFFFAOYSA-N 1 0 391.511 5.005 40 0 GKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000224805657 570531813 /nfs/dbraw/zinc/53/18/13/570531813.db2.gz TVEXJXJUJGWZTE-UHFFFAOYSA-N 1 0 398.550 5.121 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008471504 570531855 /nfs/dbraw/zinc/53/18/55/570531855.db2.gz IPMLTQOMXTZVNT-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(F)cc1 ZINC000008471548 570531924 /nfs/dbraw/zinc/53/19/24/570531924.db2.gz LXAUJKRHZKJDJX-UHFFFAOYSA-N 1 0 395.518 5.472 40 0 GKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000008472146 570532498 /nfs/dbraw/zinc/53/24/98/570532498.db2.gz YGBXDTUICBOSLY-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000008495308 570532745 /nfs/dbraw/zinc/53/27/45/570532745.db2.gz NWDZSPOQUOUHCW-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO CC(C)(C)c1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224825008 570532771 /nfs/dbraw/zinc/53/27/71/570532771.db2.gz KWOPVLOEKWGNED-UHFFFAOYSA-N 1 0 392.587 5.219 40 0 GKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccc(C)cc1 ZINC000008550152 570533739 /nfs/dbraw/zinc/53/37/39/570533739.db2.gz KPDZZJDZFPWIHF-UHFFFAOYSA-N 1 0 381.903 5.526 40 0 GKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(C)cc1 ZINC000008550125 570533764 /nfs/dbraw/zinc/53/37/64/570533764.db2.gz AMELXXFTOMWTIK-UHFFFAOYSA-N 1 0 391.555 5.497 40 0 GKABRO O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000224970377 570540496 /nfs/dbraw/zinc/54/04/96/570540496.db2.gz ZQEZBDGZGIKRBO-UHFFFAOYSA-N 1 0 391.559 5.305 40 0 GKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010331088 570569454 /nfs/dbraw/zinc/56/94/54/570569454.db2.gz VEGULNJHDKHGAW-UHFFFAOYSA-N 1 0 382.813 5.207 40 0 GKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225533982 570584949 /nfs/dbraw/zinc/58/49/49/570584949.db2.gz UJTBMMZZVDQKFQ-UHFFFAOYSA-N 1 0 394.559 5.248 40 0 GKABRO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834697 570585904 /nfs/dbraw/zinc/58/59/04/570585904.db2.gz HDANTTLTAAACLK-OAHLLOKOSA-N 1 0 396.840 5.210 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000038834732 570586348 /nfs/dbraw/zinc/58/63/48/570586348.db2.gz BGOSFSGBCWXUQP-UHFFFAOYSA-N 1 0 376.422 5.190 40 0 GKABRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038835005 570586711 /nfs/dbraw/zinc/58/67/11/570586711.db2.gz VSGALDBOFXHUQC-CQSZACIVSA-N 1 0 397.733 5.498 40 0 GKABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2ccccc2C)on1 ZINC000012134514 570614109 /nfs/dbraw/zinc/61/41/09/570614109.db2.gz WILHRBVTTJXZPA-XUZZJYLKSA-N 1 0 375.516 5.100 40 0 GKABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2c(C)oc3ccccc32)s1 ZINC000043277881 570626747 /nfs/dbraw/zinc/62/67/47/570626747.db2.gz MJPLMNKBZGMHQB-UHFFFAOYSA-N 1 0 379.529 5.400 40 0 GKABRO Clc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc2ncccc2c1 ZINC000043277782 570627217 /nfs/dbraw/zinc/62/72/17/570627217.db2.gz TUXUEOGLRDBKIB-UHFFFAOYSA-N 1 0 390.918 5.177 40 0 GKABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000225905163 570632346 /nfs/dbraw/zinc/63/23/46/570632346.db2.gz MVGKUDLSESRUQK-MAUKXSAKSA-N 1 0 391.342 5.083 40 0 GKABRO CN(C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000225910733 570632762 /nfs/dbraw/zinc/63/27/62/570632762.db2.gz OADRVGRCSCWQNQ-AWEZNQCLSA-N 1 0 395.305 5.008 40 0 GKABRO CCCCC[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)CCCC ZINC000004712853 570636570 /nfs/dbraw/zinc/63/65/70/570636570.db2.gz WEOCXFUEIUWOBH-YIPNQBBMSA-N 1 0 393.615 6.922 40 0 GKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044855420 570636655 /nfs/dbraw/zinc/63/66/55/570636655.db2.gz BRXZMQJERZATQN-JOCHJYFZSA-N 1 0 392.543 5.013 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C ZINC000044856302 570636757 /nfs/dbraw/zinc/63/67/57/570636757.db2.gz HXMIHKHDUSTAHV-GHTZIAJQSA-N 1 0 384.951 5.046 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C ZINC000044856357 570636765 /nfs/dbraw/zinc/63/67/65/570636765.db2.gz JVBKGBIDFGWVIM-GOSISDBHSA-N 1 0 384.951 5.046 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(C)cc1C ZINC000044856669 570636915 /nfs/dbraw/zinc/63/69/15/570636915.db2.gz ODQLFUFTYKDYSY-QHCPKHFHSA-N 1 0 398.978 5.436 40 0 GKABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C)c(C)c1 ZINC000044856457 570636979 /nfs/dbraw/zinc/63/69/79/570636979.db2.gz ZVAVFSYVANKQGA-GGAORHGYSA-N 1 0 398.978 5.436 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C)c(C)c1 ZINC000044856562 570637022 /nfs/dbraw/zinc/63/70/22/570637022.db2.gz DGLAWLVAUOGLJW-XMMPIXPASA-N 1 0 378.560 5.416 40 0 GKABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C)c(C)c1 ZINC000044856458 570637053 /nfs/dbraw/zinc/63/70/53/570637053.db2.gz ZVAVFSYVANKQGA-FYYLOGMGSA-N 1 0 398.978 5.436 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(C)cc1C ZINC000044856670 570637244 /nfs/dbraw/zinc/63/72/44/570637244.db2.gz ODQLFUFTYKDYSY-HSZRJFAPSA-N 1 0 398.978 5.436 40 0 GKABRO CC(C)c1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004882338 570642115 /nfs/dbraw/zinc/64/21/15/570642115.db2.gz MRLFONBYCAWJGF-CWAQXLGLSA-N 1 0 391.559 5.517 40 0 GKABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccc(F)cc2)C3)cc1 ZINC000004887997 570642923 /nfs/dbraw/zinc/64/29/23/570642923.db2.gz OEGQLZDZMFSETA-FRIKZZABSA-N 1 0 397.563 5.006 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)cc1 ZINC000044917178 570643354 /nfs/dbraw/zinc/64/33/54/570643354.db2.gz PBBHBMHYLVHJDE-UHFFFAOYSA-N 1 0 392.543 5.167 40 0 GKABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935596 570644251 /nfs/dbraw/zinc/64/42/51/570644251.db2.gz NFACPVZLNYPVAJ-IRLDBZIGSA-N 1 0 384.951 5.128 40 0 GKABRO CC(C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000044936985 570644263 /nfs/dbraw/zinc/64/42/63/570644263.db2.gz MAFMPYRNIXNOQL-XMMPIXPASA-N 1 0 378.560 5.436 40 0 GKABRO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044938620 570644844 /nfs/dbraw/zinc/64/48/44/570644844.db2.gz JRYXZFZAMRAMHV-UHFFFAOYSA-N 1 0 388.964 5.303 40 0 GKABRO COc1ccccc1OCCn1cc(/C=C/C2=CC[N@H+](C)CC2)c2ccccc21 ZINC000004933143 570649713 /nfs/dbraw/zinc/64/97/13/570649713.db2.gz CPAUPXZHTCSHQI-VAWYXSNFSA-N 1 0 388.511 5.004 40 0 GKABRO CC(C)[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005002472 570652161 /nfs/dbraw/zinc/65/21/61/570652161.db2.gz XANBEVHQLOSTKB-YAOOYPAMSA-N 1 0 385.551 5.965 40 0 GKABRO CC(C)[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101646864 570716502 /nfs/dbraw/zinc/71/65/02/570716502.db2.gz QTRIGFJYNKGEIO-QEGGNFSNSA-N 1 0 389.514 5.761 40 0 GKABRO CC(C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)(c1ccccc1)c1ccccc1 ZINC000006590988 570748837 /nfs/dbraw/zinc/74/88/37/570748837.db2.gz PURYCQIARNRAPF-UHFFFAOYSA-N 1 0 384.523 5.227 40 0 GKABRO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccccc1F ZINC000006882503 570752769 /nfs/dbraw/zinc/75/27/69/570752769.db2.gz AXLKNLMDZSYMHD-UHFFFAOYSA-N 1 0 396.300 5.064 40 0 GKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000007538758 570760420 /nfs/dbraw/zinc/76/04/20/570760420.db2.gz ZUYUVDSRNUEQRX-NXTQRVMMSA-N 1 0 383.963 6.603 40 0 GKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC ZINC000008253691 570766127 /nfs/dbraw/zinc/76/61/27/570766127.db2.gz AXZMVKNHISHAAT-HIGJEIRPSA-N 1 0 377.956 5.442 40 0 GKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1cccs1 ZINC000008254731 570766411 /nfs/dbraw/zinc/76/64/11/570766411.db2.gz CKAATBINPJDDJM-UHFFFAOYSA-N 1 0 397.584 5.640 40 0 GKABRO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254573 570766533 /nfs/dbraw/zinc/76/65/33/570766533.db2.gz MCLMOUUDWOZLQT-UHFFFAOYSA-N 1 0 382.331 5.717 40 0 GKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 ZINC000008472320 570769175 /nfs/dbraw/zinc/76/91/75/570769175.db2.gz LETIFHVRUAIOOC-UHFFFAOYSA-N 1 0 383.557 5.394 40 0 GKABRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008534878 570769978 /nfs/dbraw/zinc/76/99/78/570769978.db2.gz WPQREMYYPVRBNJ-KQUUOAGESA-N 1 0 375.556 5.960 40 0 GKABRO COc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1cccs1 ZINC000008470623 570770475 /nfs/dbraw/zinc/77/04/75/570770475.db2.gz FDFJTHVZYBRWIL-UHFFFAOYSA-N 1 0 379.934 5.340 40 0 GKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004430013 570893229 /nfs/dbraw/zinc/89/32/29/570893229.db2.gz RJNGJYWAIUJHOJ-FBVYSKEZSA-N 1 0 387.696 7.435 40 0 in-vitro GKABRO O[C@H]([C@@H]1CCCC[NH2+]1)[C@H]1C[C@H](c2ccccc2)Nc2c(Cl)cc(Cl)cc21 ZINC000005069133 570897896 /nfs/dbraw/zinc/89/78/96/570897896.db2.gz XMRIKEJBXXNIAW-ROPHOZQPSA-N 1 0 391.342 5.137 40 0 GKABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000017077879 570916809 /nfs/dbraw/zinc/91/68/09/570916809.db2.gz HGBUKEIDAAFIJI-UHFFFAOYSA-N 1 0 380.875 5.448 40 0 GKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(C)c1 ZINC000016349268 570922977 /nfs/dbraw/zinc/92/29/77/570922977.db2.gz NRUMJTQVRCUNGK-UHFFFAOYSA-N 1 0 391.555 5.641 40 0 GKABRO Fc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000016449535 570925030 /nfs/dbraw/zinc/92/50/30/570925030.db2.gz HJVMUEJMARKKOP-UHFFFAOYSA-N 1 0 387.857 5.530 40 0 GKABRO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1CC1CCCCC1)c1ccccn1 ZINC000019081694 570956140 /nfs/dbraw/zinc/95/61/40/570956140.db2.gz OSGBAJHDRQKEEV-UNMCSNQZSA-N 1 0 385.596 5.110 40 0 GKABRO Cc1ccc(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C ZINC000019213913 570961346 /nfs/dbraw/zinc/96/13/46/570961346.db2.gz MJIQHQAODYIVSX-LOSJGSFVSA-N 1 0 390.502 5.022 40 0 GKABRO Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000090501524 570997106 /nfs/dbraw/zinc/99/71/06/570997106.db2.gz TYGUQXPQLFFAMR-RPBOFIJWSA-N 1 0 387.523 5.813 40 0 GKABRO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@@H+]2Cc2ccccc2F)n1 ZINC000019525609 570997346 /nfs/dbraw/zinc/99/73/46/570997346.db2.gz PHKCFBVDEGJMGS-JOCHJYFZSA-N 1 0 390.506 5.357 40 0 GKABRO CCCCCC[C@@]1(O)C[C@@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@@H]1C ZINC000004898585 571004792 /nfs/dbraw/zinc/00/47/92/571004792.db2.gz XTXJCNLNKMWVKO-CPPMQADQSA-N 1 0 379.588 6.417 40 0 GKABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cnn1C ZINC000019690880 571029125 /nfs/dbraw/zinc/02/91/25/571029125.db2.gz OHNZUEQGJCCVMR-HSZRJFAPSA-N 1 0 394.950 5.013 40 0 GKABRO Cc1cc(C)n(-c2cccc(C[N@H+](CCc3ccccc3)Cc3ccncc3)c2)n1 ZINC000019574789 210267555 /nfs/dbraw/zinc/26/75/55/210267555.db2.gz BMVVQNHOHDSRAT-UHFFFAOYSA-N 1 0 396.538 5.129 40 0 GKABRO Cc1noc2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)cc(C(F)F)c12 ZINC000019564353 210264071 /nfs/dbraw/zinc/26/40/71/210264071.db2.gz LZZMFSUUVBLELK-LBPRGKRZSA-N 1 0 393.384 5.127 40 0 GKABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2ccccc2)cc1 ZINC000016479302 210191628 /nfs/dbraw/zinc/19/16/28/210191628.db2.gz HQMBAYFVQDHTDX-UHFFFAOYSA-N 1 0 385.482 5.890 40 0 GKABRO Clc1ccc(COc2ccccc2C[NH2+]CCc2ccccc2)c(Cl)c1 ZINC000016479399 210191743 /nfs/dbraw/zinc/19/17/43/210191743.db2.gz FPHPDBBYYGRWHD-UHFFFAOYSA-N 1 0 386.322 5.905 40 0 GKABRO Clc1ccccc1COc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000016449685 210190580 /nfs/dbraw/zinc/19/05/80/210190580.db2.gz GNVGGYDMFRTEFH-UHFFFAOYSA-N 1 0 390.914 5.733 40 0 GKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1cccc(C)c1 ZINC000016349271 210189033 /nfs/dbraw/zinc/18/90/33/210189033.db2.gz VBXDBKWWAXVRSP-UHFFFAOYSA-N 1 0 391.555 5.497 40 0 GKABRO Clc1ccc(COc2cccc(C[NH2+]C3CCCCCC3)c2)c(Cl)c1 ZINC000016399599 210188910 /nfs/dbraw/zinc/18/89/10/210188910.db2.gz UYTNHOKPKQEIMA-UHFFFAOYSA-N 1 0 378.343 6.385 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)c1 ZINC000224529078 222657072 /nfs/dbraw/zinc/65/70/72/222657072.db2.gz DYTVIVWJJMHURY-UHFFFAOYSA-N 1 0 398.506 5.745 40 0 GKABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008253148 209770096 /nfs/dbraw/zinc/77/00/96/209770096.db2.gz MCEXWWJRIPGAQD-UHFFFAOYSA-N 1 0 398.330 5.097 40 0 GKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OCC ZINC000008253814 209770193 /nfs/dbraw/zinc/77/01/93/209770193.db2.gz IOVNZEMRSXDZSN-UHFFFAOYSA-N 1 0 384.358 5.449 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000007523370 209732496 /nfs/dbraw/zinc/73/24/96/209732496.db2.gz CEYAXPVGKQZDME-UHFFFAOYSA-N 1 0 387.951 6.130 40 0 GKABRO CC[NH+](CC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000005840031 209617934 /nfs/dbraw/zinc/61/79/34/209617934.db2.gz XMAUKSKZFHIFQS-OAQYLSRUSA-N 1 0 389.326 5.584 40 0 GKABRO CC(C)(C)[NH2+]CC[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000001568054 209332128 /nfs/dbraw/zinc/33/21/28/209332128.db2.gz NEZJFNMPGLCANK-ZDUSSCGKSA-N 1 0 394.359 5.084 40 0 in-vitro GKABRO CCCCSc1ccc([C@H](SCC[NH+](CC)CC)c2ccccc2)cc1 ZINC000001713953 209337612 /nfs/dbraw/zinc/33/76/12/209337612.db2.gz VSKGHEOKJFLNSH-HSZRJFAPSA-N 1 0 387.658 6.743 40 0 GKABRO COc1cc2c(cc1OC)[C@@H]1CC(c3ccccc3)=C(c3ccccc3)C[N@@H+]1CC2 ZINC000001721516 209337398 /nfs/dbraw/zinc/33/73/98/209337398.db2.gz KEENRRJPMVGIPA-VWLOTQADSA-N 1 0 397.518 5.618 40 0 GKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccccc2)nc2c(O)cccc12 ZINC000001709730 209337111 /nfs/dbraw/zinc/33/71/11/209337111.db2.gz XMKLLONHDFUOPP-DEOSSOPVSA-N 1 0 392.543 5.543 40 0 GKABRO O[C@H](c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12)[C@H]1CCCC[NH2+]1 ZINC000001673181 212254504 /nfs/dbraw/zinc/25/45/04/212254504.db2.gz GOVNXGKKGVVELA-WIYYLYMNSA-N 1 0 387.310 5.384 40 0 GKABRO CC(C)CC[NH+](CCC(C)C)C[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001687309 212254320 /nfs/dbraw/zinc/25/43/20/212254320.db2.gz HURQNHBXXMWZBW-SANMLTNESA-N 1 0 381.604 6.146 40 0 GKABRO O[C@H](c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12)[C@@H]1CCCC[NH2+]1 ZINC000001673183 212254069 /nfs/dbraw/zinc/25/40/69/212254069.db2.gz GOVNXGKKGVVELA-GHTZIAJQSA-N 1 0 387.310 5.384 40 0 GKABRO O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12)[C@@H]1CCCC[NH2+]1 ZINC000001673182 212253883 /nfs/dbraw/zinc/25/38/83/212253883.db2.gz GOVNXGKKGVVELA-RXVVDRJESA-N 1 0 387.310 5.384 40 0 GKABRO O[C@H](c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001640913 212252453 /nfs/dbraw/zinc/25/24/53/212252453.db2.gz NXTJDLLZXKYMMP-PZJWPPBQSA-N 1 0 387.310 5.384 40 0 GKABRO O[C@H](c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001640911 212251865 /nfs/dbraw/zinc/25/18/65/212251865.db2.gz NXTJDLLZXKYMMP-TZIWHRDSSA-N 1 0 387.310 5.384 40 0 GKABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000216840947 212108113 /nfs/dbraw/zinc/10/81/13/212108113.db2.gz LXSFLXMVGPATHH-HUUCEWRRSA-N 1 0 399.332 6.020 40 0 GKABRO c1ccc(Nc2cccc(C3CC[NH+](Cc4cccc5ncccc45)CC3)n2)nc1 ZINC000257330396 212026792 /nfs/dbraw/zinc/02/67/92/212026792.db2.gz XOEQIYRMVGGQBC-UHFFFAOYSA-N 1 0 395.510 5.148 40 0 GKABRO O[C@H](c1ccccc1)[C@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000004777723 204076074 /nfs/dbraw/zinc/07/60/74/204076074.db2.gz ZGULMLKTCWGICW-JCYYIGJDSA-N 1 0 393.530 6.035 40 0 GKABRO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C ZINC000004857220 204083419 /nfs/dbraw/zinc/08/34/19/204083419.db2.gz AWEAYUXTOXOPFE-NOTZXAQLSA-N 1 0 393.600 5.176 40 0 GKABRO C[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000004867209 204084001 /nfs/dbraw/zinc/08/40/01/204084001.db2.gz JABONFOKZVPFLG-LOSJGSFVSA-N 1 0 379.503 5.572 40 0 GKABRO CCCCOc1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000004422594 204044264 /nfs/dbraw/zinc/04/42/64/204044264.db2.gz ZCQCDSARUJCDHP-BVZFJXPGSA-N 1 0 396.575 5.416 40 0 GKABRO C[NH+](C)CCO[C@](c1cccs1)(c1ccccc1)c1ccc2ccccc2n1 ZINC000004522337 204050894 /nfs/dbraw/zinc/05/08/94/204050894.db2.gz ONZPQLSPPCXUQE-XMMPIXPASA-N 1 0 388.536 5.166 40 0 GKABRO CCOC(=O)CCCCCCCC[NH+](C)CCCCCCCCC(=O)OCC ZINC000004975027 204099005 /nfs/dbraw/zinc/09/90/05/204099005.db2.gz OCHCBOONZIEZTR-UHFFFAOYSA-N 1 0 399.616 5.506 40 0 GKABRO CC(C)CC(CC(C)C)[NH2+]C[C@@H](C)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000005962527 204160556 /nfs/dbraw/zinc/16/05/56/204160556.db2.gz CQYGOPXPFJSUBO-OAQYLSRUSA-N 1 0 395.587 5.801 40 0 GKABRO COc1ccc([C@H]([C@@H](C(=O)c2ccccc2)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000005513945 204136847 /nfs/dbraw/zinc/13/68/47/204136847.db2.gz QTGOYTKXAXTLMO-IZZNHLLZSA-N 1 0 399.534 5.889 40 0 GKABRO CC[NH+](CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000006869532 204217445 /nfs/dbraw/zinc/21/74/45/204217445.db2.gz YYVROMQYFZAKQV-UHFFFAOYSA-N 1 0 399.542 5.150 40 0 GKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 ZINC000007538137 204242086 /nfs/dbraw/zinc/24/20/86/204242086.db2.gz YRPRZBAFCFDMBA-UHFFFAOYSA-N 1 0 381.903 5.526 40 0 GKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F ZINC000007537972 204242401 /nfs/dbraw/zinc/24/24/01/204242401.db2.gz SVOVBNAVXPAUTN-UHFFFAOYSA-N 1 0 399.893 5.665 40 0 GKABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000007538305 204242737 /nfs/dbraw/zinc/24/27/37/204242737.db2.gz NEXKKOFKSDQDHL-UHFFFAOYSA-N 1 0 397.902 5.226 40 0 GKABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000008254088 204267625 /nfs/dbraw/zinc/26/76/25/204267625.db2.gz VURUSXLFRRMPAZ-GOSISDBHSA-N 1 0 395.930 6.169 40 0 GKABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253938 204268394 /nfs/dbraw/zinc/26/83/94/204268394.db2.gz HUKGJMBGFFXQIK-UHFFFAOYSA-N 1 0 382.331 5.859 40 0 GKABRO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008326697 204271605 /nfs/dbraw/zinc/27/16/05/204271605.db2.gz KECBXWYQKDIMDG-ZDUSSCGKSA-N 1 0 382.729 5.570 40 0 GKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000008471499 204276321 /nfs/dbraw/zinc/27/63/21/204276321.db2.gz IANQQHHOFOORRZ-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1c(F)cccc1Cl ZINC000008471368 204276704 /nfs/dbraw/zinc/27/67/04/204276704.db2.gz HQGNKBCVTZWKCO-UHFFFAOYSA-N 1 0 391.895 5.418 40 0 GKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1cccc(Cl)c1 ZINC000008471911 204277119 /nfs/dbraw/zinc/27/71/19/204277119.db2.gz GKHTYJOBMDXNDT-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccccc1 ZINC000008495478 204277866 /nfs/dbraw/zinc/27/78/66/204277866.db2.gz XSXYLLJNFIYVAE-UHFFFAOYSA-N 1 0 377.528 5.189 40 0 GKABRO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccccc1Cl ZINC000008495615 204277980 /nfs/dbraw/zinc/27/79/80/204277980.db2.gz JWVMHFJPGKPRJA-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccccc1F ZINC000008472304 204278160 /nfs/dbraw/zinc/27/81/60/204278160.db2.gz AOWACLDJCTZUQB-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000216827094 209175400 /nfs/dbraw/zinc/17/54/00/209175400.db2.gz GSBAVTANHXFNNR-CQSZACIVSA-N 1 0 385.305 5.632 40 0 GKABRO O=C1[C@H]2[C@H](C[C@H](c3ccccc3)[N@@H+]2Cc2ccccc2)CCN1c1ccccc1 ZINC000257247269 212010117 /nfs/dbraw/zinc/01/01/17/212010117.db2.gz IYFMWLYPQQXSAC-ICDZXHCJSA-N 1 0 382.507 5.055 40 0 GKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1C ZINC000016362743 204594913 /nfs/dbraw/zinc/59/49/13/204594913.db2.gz JIWLURRSSQCPLF-UHFFFAOYSA-N 1 0 391.555 5.497 40 0 GKABRO CC(C)(C)C[NH+]1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000257216893 212005132 /nfs/dbraw/zinc/00/51/32/212005132.db2.gz CWOALRILUYGKJV-UHFFFAOYSA-N 1 0 390.493 5.917 40 0 GKABRO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(NC2CCCCC2)[nH+]1 ZINC000329007241 209156641 /nfs/dbraw/zinc/15/66/41/209156641.db2.gz LJVPPSUPXUZIEI-UHFFFAOYSA-N 1 0 378.564 5.642 40 0 GKABRO CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CCCCC2)[nH+]1 ZINC000329013940 209155403 /nfs/dbraw/zinc/15/54/03/209155403.db2.gz MRXNVMDJTAUMIN-UHFFFAOYSA-N 1 0 378.564 5.064 40 0 GKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2c(ccc3ccccc23)o1 ZINC000224775509 211873384 /nfs/dbraw/zinc/87/33/84/211873384.db2.gz WZPRVWSQVVKFDF-UHFFFAOYSA-N 1 0 384.479 5.112 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1 ZINC000038849821 205039748 /nfs/dbraw/zinc/03/97/48/205039748.db2.gz URUCTDOBYARDPJ-UHFFFAOYSA-N 1 0 376.422 5.190 40 0 GKABRO Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038859847 205041379 /nfs/dbraw/zinc/04/13/79/205041379.db2.gz GYILZHBUMBPJKP-LJQANCHMSA-N 1 0 384.951 5.623 40 0 GKABRO Clc1ccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348959 205331282 /nfs/dbraw/zinc/33/12/82/205331282.db2.gz NIYHIITXCCPOLW-IBGZPJMESA-N 1 0 377.919 5.100 40 0 GKABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C1 ZINC000225615385 205689743 /nfs/dbraw/zinc/68/97/43/205689743.db2.gz PDMOIQPOEOMYBV-GJZGRUSLSA-N 1 0 399.332 5.735 40 0 GKABRO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1C ZINC000223476526 206001580 /nfs/dbraw/zinc/00/15/80/206001580.db2.gz YYEVFGPFGXDZRN-OAQYLSRUSA-N 1 0 378.560 5.479 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000223469920 206001875 /nfs/dbraw/zinc/00/18/75/206001875.db2.gz YDXMCJGJZFRZPR-OAQYLSRUSA-N 1 0 378.560 5.010 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)cc1 ZINC000224531963 206022681 /nfs/dbraw/zinc/02/26/81/206022681.db2.gz MWPPKRNDEHBUGO-UHFFFAOYSA-N 1 0 384.523 5.098 40 0 GKABRO CC(C)(C)c1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224644482 206025351 /nfs/dbraw/zinc/02/53/51/206025351.db2.gz AFEWPCKRACPVJC-NTCAYCPXSA-N 1 0 390.571 5.300 40 0 GKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225703574 206069296 /nfs/dbraw/zinc/06/92/96/206069296.db2.gz GJTMPWFVXIWTJJ-HSZRJFAPSA-N 1 0 392.584 5.111 40 0 GKABRO CCc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000225621813 206062219 /nfs/dbraw/zinc/06/22/19/206062219.db2.gz SKQLQCMAIXROLD-FQEVSTJZSA-N 1 0 398.550 5.298 40 0 GKABRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000225907676 206083570 /nfs/dbraw/zinc/08/35/70/206083570.db2.gz JTSRQCNOSVMAIE-HNNXBMFYSA-N 1 0 395.305 5.008 40 0 GKABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)ccn1 ZINC000257307061 206177330 /nfs/dbraw/zinc/17/73/30/206177330.db2.gz SXBMUEGKZQBIPR-UHFFFAOYSA-N 1 0 398.510 5.281 40 0 GKABRO CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004866076 206259931 /nfs/dbraw/zinc/25/99/31/206259931.db2.gz HKJVXAYMDUGIOW-SVVSVUQJSA-N 1 0 387.523 5.385 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C1 ZINC000216827231 206252989 /nfs/dbraw/zinc/25/29/89/206252989.db2.gz KHIHRZXDHGOTCI-CQSZACIVSA-N 1 0 385.305 5.489 40 0 GKABRO c1ccc(-c2cc(-c3ccccc3)[n+](C3CCCCC3)c(-c3ccccc3)c2)cc1 ZINC000015770100 206297130 /nfs/dbraw/zinc/29/71/30/206297130.db2.gz JLGZBVIJAURAEY-UHFFFAOYSA-N 1 0 390.550 7.480 40 0 GKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000005421829 206611580 /nfs/dbraw/zinc/61/15/80/206611580.db2.gz UEZKINHQOOWWMD-RUZDIDTESA-N 1 0 376.544 5.837 40 0 GKABRO O=C(Nc1ccccc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096214630 211319459 /nfs/dbraw/zinc/31/94/59/211319459.db2.gz AIHATYLWQGRURD-QFIPXVFZSA-N 1 0 383.923 5.003 40 0 GKABRO c1ccc(Nc2cccc([C@H]3CCC[N@@H+](Cc4cccc5ncccc45)C3)n2)nc1 ZINC000072376094 211105639 /nfs/dbraw/zinc/10/56/39/211105639.db2.gz HVBPJZYGNIEDCM-FQEVSTJZSA-N 1 0 395.510 5.148 40 0 GKABRO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348867 211095752 /nfs/dbraw/zinc/09/57/52/211095752.db2.gz LQJHQGUMXHBHEJ-HXUWFJFHSA-N 1 0 377.919 5.100 40 0 GKABRO Clc1ccccc1Cc1cccc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000072348955 211094867 /nfs/dbraw/zinc/09/48/67/211094867.db2.gz IZAROUFEYMEEFW-UHFFFAOYSA-N 1 0 377.919 5.100 40 0 GKABRO Fc1ccc(C[N@H+](Cc2ccsc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019333682 207117225 /nfs/dbraw/zinc/11/72/25/207117225.db2.gz YUMQYOQKUHZBOX-FCHUYYIVSA-N 1 0 385.479 5.211 40 0 GKABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCCC3)CC[C@@H]21 ZINC000019368988 207119094 /nfs/dbraw/zinc/11/90/94/207119094.db2.gz NNMYSLYYJIACQG-VABKMULXSA-N 1 0 394.584 5.011 40 0 GKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000022076560 207246826 /nfs/dbraw/zinc/24/68/26/207246826.db2.gz DWUMGNLNRSHATB-UHFFFAOYSA-N 1 0 376.283 5.594 40 0 GKABRO CCOc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccccc1 ZINC000022076882 207247189 /nfs/dbraw/zinc/24/71/89/207247189.db2.gz RLQGRRZAMAPYGQ-UHFFFAOYSA-N 1 0 379.475 5.136 40 0 GKABRO Clc1ccc(OCc2ccccc2)c(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000022073896 207247345 /nfs/dbraw/zinc/24/73/45/207247345.db2.gz LGYKOTSULCZJBJ-UHFFFAOYSA-N 1 0 381.947 5.833 40 0 GKABRO COc1cccc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)[nH+]2)c1 ZINC000072372502 208004960 /nfs/dbraw/zinc/00/49/60/208004960.db2.gz PYTRENZGWMOUQV-NRFANRHFSA-N 1 0 394.544 5.244 40 0 GKABRO CC(C)CC(=O)N[C@H](c1nccs1)C1CCC(C[NH2+]C2CCCCC2)CC1 ZINC000072373170 208008946 /nfs/dbraw/zinc/00/89/46/208008946.db2.gz SETDKAVYVNNHMY-NGICGMGXSA-N 1 0 391.625 5.075 40 0 GKABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4C[C@]5(C)C[C@H]4CC(C)(C)C5)[C@H]3C=C12 ZINC000085867294 208103134 /nfs/dbraw/zinc/10/31/34/208103134.db2.gz KOTBZCSHVIMQNP-IFMAHAOQSA-N 1 0 385.592 5.201 40 0 GKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084670799 208095582 /nfs/dbraw/zinc/09/55/82/208095582.db2.gz RJNGJYWAIUJHOJ-NWKZBHTNSA-N 1 0 387.696 7.435 40 0 in-vitro GKABRO Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000090501526 208114032 /nfs/dbraw/zinc/11/40/32/208114032.db2.gz TYGUQXPQLFFAMR-JWQCQUIFSA-N 1 0 387.523 5.813 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)C1 ZINC000020457694 210337867 /nfs/dbraw/zinc/33/78/67/210337867.db2.gz IZYJQYICKHOROE-CQSZACIVSA-N 1 0 377.315 5.478 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)C1 ZINC000020452646 210336343 /nfs/dbraw/zinc/33/63/43/210336343.db2.gz NAZMGJWKHWROGJ-OAQYLSRUSA-N 1 0 390.571 5.013 40 0 GKABRO CCOc1ccc([C@](O)(CC)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000026958645 208911873 /nfs/dbraw/zinc/91/18/73/208911873.db2.gz WOPMYOLMSOGKRS-LOSJGSFVSA-N 1 0 381.560 5.343 40 0 GKABRO CC[NH+](CC)CCC[C@@H](C)n1c2ccc(Cl)cc2nc1-c1ccc(OC)cc1 ZINC000005422171 220867074 /nfs/dbraw/zinc/86/70/74/220867074.db2.gz MZDKNXNWNBBKOM-QGZVFWFLSA-N 1 0 399.966 6.048 40 0 GKABRO COc1ccc(OCCNc2cccc([C@H]3CCC[N@@H+]3C3CCCCC3)n2)cc1 ZINC000257223850 209058478 /nfs/dbraw/zinc/05/84/78/209058478.db2.gz DZEUULOQXHSQSG-HSZRJFAPSA-N 1 0 395.547 5.051 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000007260981 220991057 /nfs/dbraw/zinc/99/10/57/220991057.db2.gz FNTOMYWMSKCEOW-UHFFFAOYSA-N 1 0 393.930 6.127 40 0 GKABRO COc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccccc1Cl ZINC000007522561 221000224 /nfs/dbraw/zinc/00/02/24/221000224.db2.gz QPXFGEDDPZIQLO-UHFFFAOYSA-N 1 0 387.951 6.130 40 0 GKABRO Clc1ccc(Cl)c(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)c1 ZINC000007524456 221000478 /nfs/dbraw/zinc/00/04/78/221000478.db2.gz UMDDJHMBSUHVOU-UHFFFAOYSA-N 1 0 376.327 6.312 40 0 GKABRO C[C@]12CC3CC([NH2+]Cc4ccc(-c5ccc(F)c(Cl)c5)o4)(C1)C[C@@](C)(C3)C2 ZINC000007539718 221000674 /nfs/dbraw/zinc/00/06/74/221000674.db2.gz IDISCLANMOOCQF-TURSSXEVSA-N 1 0 387.926 6.578 40 0 GKABRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000007538460 221001015 /nfs/dbraw/zinc/00/10/15/221001015.db2.gz WRMCGOLXIMMYHW-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000007525179 221001077 /nfs/dbraw/zinc/00/10/77/221001077.db2.gz UYDZRUBUBHRXHP-UHFFFAOYSA-N 1 0 381.903 5.526 40 0 GKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000008254640 221032822 /nfs/dbraw/zinc/03/28/22/221032822.db2.gz NAPOIJUJUBNCGU-UHFFFAOYSA-N 1 0 379.475 5.136 40 0 GKABRO C[C@H]([NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008497370 221042863 /nfs/dbraw/zinc/04/28/63/221042863.db2.gz RRSGBPNBALZMBH-REZYEQBDSA-N 1 0 393.546 6.099 40 0 GKABRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008534880 221042963 /nfs/dbraw/zinc/04/29/63/221042963.db2.gz YMYFIKDYLZPNLR-VIAIDJOKSA-N 1 0 393.546 6.099 40 0 GKABRO C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497400 221043149 /nfs/dbraw/zinc/04/31/49/221043149.db2.gz ZRZNMIRHKKTMQC-LYAPCXFUSA-N 1 0 375.556 5.960 40 0 GKABRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008497375 221043159 /nfs/dbraw/zinc/04/31/59/221043159.db2.gz YMYFIKDYLZPNLR-FJDLLSKQSA-N 1 0 393.546 6.099 40 0 GKABRO COc1ccc(Br)cc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008497294 221043914 /nfs/dbraw/zinc/04/39/14/221043914.db2.gz PRPONBWMBNBGKN-IVKJLDKCSA-N 1 0 378.354 5.152 40 0 GKABRO Cc1nc(SCc2c(Cl)cccc2Cl)[nH]c(=O)c1C[NH+]1CCCCC1 ZINC000013400456 221267965 /nfs/dbraw/zinc/26/79/65/221267965.db2.gz ZWYLZROGOPCZGA-UHFFFAOYSA-N 1 0 398.359 5.076 40 0 GKABRO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H](C)C1(O)c1ccc(F)cc1 ZINC000013468130 221268716 /nfs/dbraw/zinc/26/87/16/221268716.db2.gz FTGMSKYZJVDEFA-RWEGGZBESA-N 1 0 389.514 5.714 40 0 GKABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]CCc2ccccc2)c1 ZINC000016479334 221363704 /nfs/dbraw/zinc/36/37/04/221363704.db2.gz KUOUKZQKDZIULR-UHFFFAOYSA-N 1 0 396.328 5.360 40 0 GKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccccc2)cc1 ZINC000016479320 221363857 /nfs/dbraw/zinc/36/38/57/221363857.db2.gz CQSLYZOUWVFYKV-UHFFFAOYSA-N 1 0 386.322 5.905 40 0 GKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000016525871 221364999 /nfs/dbraw/zinc/36/49/99/221364999.db2.gz UAXVYMZNVUZTTI-FQEVSTJZSA-N 1 0 381.903 5.341 40 0 GKABRO Cc1ccc2cc(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2c1C ZINC000057718271 136153802 /nfs/dbraw/zinc/15/38/02/136153802.db2.gz XTQJWYLKCGRLNW-CALCHBBNSA-N 1 0 389.543 5.239 40 0 GKABRO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)cc12 ZINC000057718310 136153869 /nfs/dbraw/zinc/15/38/69/136153869.db2.gz MHLYIEOFRAMIOJ-IRXDYDNUSA-N 1 0 389.543 5.239 40 0 GKABRO O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462143 221723028 /nfs/dbraw/zinc/72/30/28/221723028.db2.gz JIDKBXCJCAVTQX-UHFFFAOYSA-N 1 0 398.550 5.121 40 0 GKABRO Clc1ccccc1Cc1cccc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072348826 222234305 /nfs/dbraw/zinc/23/43/05/222234305.db2.gz XAGGTRBXNMBUHU-UHFFFAOYSA-N 1 0 377.919 5.100 40 0 GKABRO c1csc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375356 222242408 /nfs/dbraw/zinc/24/24/08/222242408.db2.gz RKFRKBCYFYNFJS-HXUWFJFHSA-N 1 0 387.512 5.167 40 0 GKABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccsc3)CC1)nc2-c1ccccc1 ZINC000096099925 222379502 /nfs/dbraw/zinc/37/95/02/222379502.db2.gz MTBQWCIHPJUMAQ-UHFFFAOYSA-N 1 0 388.540 5.076 40 0 GKABRO FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@]23CCCN(Cc2ccccc2)C3)cc1 ZINC000096214643 222398304 /nfs/dbraw/zinc/39/83/04/222398304.db2.gz URTYMLSTBDTOAG-JOCHJYFZSA-N 1 0 388.477 5.336 40 0 GKABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+][C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007540780 533864593 /nfs/dbraw/zinc/86/45/93/533864593.db2.gz AMYYRMCGPWCHQD-LVQWCQSBSA-N 1 0 379.544 5.694 40 0 GKABRO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039753282 534385247 /nfs/dbraw/zinc/38/52/47/534385247.db2.gz QCOYLMJGQUJNIB-UHFFFAOYSA-N 1 0 396.840 5.210 40 0 GKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1cccc(Cl)c1Cl ZINC000408580255 534508716 /nfs/dbraw/zinc/50/87/16/534508716.db2.gz BNQNXIVSMFUCLS-UHFFFAOYSA-N 1 0 383.363 5.899 40 0 GKABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CC4)C=C3C)o2)cc1 ZINC000030883081 560089668 /nfs/dbraw/zinc/08/96/68/560089668.db2.gz PCXBEWGWTATEPX-ONTIZHBOSA-N 1 0 379.548 5.194 40 0 biogenic,in-vitro GKABRO CC1=C[C@@H](C[NH2+]C(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883425 560089690 /nfs/dbraw/zinc/08/96/90/560089690.db2.gz RQUCUSBQWHKKJK-BJLQDIEVSA-N 1 0 385.527 5.271 40 0 biogenic,in-vitro GKABRO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000020529081 560093429 /nfs/dbraw/zinc/09/34/29/560093429.db2.gz YHYQZSVKBBWONV-UFEKTTADSA-N 1 0 391.555 5.467 40 0 biogenic,in-vitro GKABRO CC(=O)OCC[N@@H+](C[C@H]1[C@H](C)C=C(C)C[C@@H]1C)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000004980992 570213790 /nfs/dbraw/zinc/21/37/90/570213790.db2.gz BRHVDTJVVBPNCJ-OUJNNOLASA-N 1 0 375.597 5.328 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)C1 ZINC000020044163 570237405 /nfs/dbraw/zinc/23/74/05/570237405.db2.gz KWGBSFRNAXEINV-HNNXBMFYSA-N 1 0 376.422 5.190 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000020107945 570239975 /nfs/dbraw/zinc/23/99/75/570239975.db2.gz PIWXYZCNAVKZIQ-CQSZACIVSA-N 1 0 377.315 5.478 40 0 GKABRO CCCCCC[n+]1c(C(C)(C)C)cc(-c2ccccc2)c2c1-c1ccccc1CC2 ZINC000005308731 570252856 /nfs/dbraw/zinc/25/28/56/570252856.db2.gz NSYDFNZWKBIWOZ-UHFFFAOYSA-N 1 0 398.614 7.285 40 0 GKABRO CC(C)c1ccc(CCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020451353 570257500 /nfs/dbraw/zinc/25/75/00/570257500.db2.gz SKPYPSXHVWXJPY-HXUWFJFHSA-N 1 0 378.560 5.014 40 0 GKABRO CC(C)c1ccc(C[C@H]2C[NH+](C)C[C@H](Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000001626846 570266366 /nfs/dbraw/zinc/26/63/66/570266366.db2.gz IRROJJKZRAYGGH-DQEYMECFSA-N 1 0 377.572 5.466 40 0 GKABRO CC(C)c1ccc(C[C@@H]2C[N@@H+](C)C[C@H](Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000001626844 570266462 /nfs/dbraw/zinc/26/64/62/570266462.db2.gz IRROJJKZRAYGGH-PLQXJYEYSA-N 1 0 377.572 5.466 40 0 GKABRO Cc1ccc([C@](O)(c2ccccc2)[C@@H]2[C@H](c3ccccc3)[N@@H+]2C2CCCCC2)cc1 ZINC000001690379 570267366 /nfs/dbraw/zinc/26/73/66/570267366.db2.gz HRBNJDCFKNWDAL-YAZNYETNSA-N 1 0 397.562 5.989 40 0 GKABRO CSc1ccc2c(c1)c(CC[NH3+])c(C)n2Cc1ccc(Cl)c(Cl)c1 ZINC000001758667 570267752 /nfs/dbraw/zinc/26/77/52/570267752.db2.gz XXFROCWQLIFAOZ-UHFFFAOYSA-N 1 0 379.356 5.528 40 0 GKABRO CC[C@@]1(C)C[C@H]([C@H](CC[NH2+]Cc2ccc(F)cc2)c2ccc(C)cc2)CCO1 ZINC000101187285 570281806 /nfs/dbraw/zinc/28/18/06/570281806.db2.gz CWHCPPKINMQAJH-GPXOXTDOSA-N 1 0 383.551 5.993 40 0 GKABRO Clc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000020875586 570288071 /nfs/dbraw/zinc/28/80/71/570288071.db2.gz RDDJGJLXJSDAPN-UHFFFAOYSA-N 1 0 376.681 5.652 40 0 GKABRO c1cc2c(s1)CC[N@@H+](C(c1ccccc1)(c1ccccc1)c1ccccc1)C2 ZINC000022066870 570304221 /nfs/dbraw/zinc/30/42/21/570304221.db2.gz FZKZMCVLPGUJJQ-UHFFFAOYSA-N 1 0 381.544 6.098 40 0 in-vitro GKABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022074290 570304790 /nfs/dbraw/zinc/30/47/90/570304790.db2.gz GLUMFVODEJHNSJ-UHFFFAOYSA-N 1 0 395.930 5.650 40 0 GKABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022074148 570304984 /nfs/dbraw/zinc/30/49/84/570304984.db2.gz SUZSXNZFFYAKPO-GOSISDBHSA-N 1 0 395.930 6.169 40 0 GKABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CCCC1 ZINC000022074253 570305003 /nfs/dbraw/zinc/30/50/03/570305003.db2.gz HFFHFDVBZIOCGC-UHFFFAOYSA-N 1 0 394.740 5.714 40 0 GKABRO CC[C@@H](c1ccccc1)[C@@H](c1ccc(OCC[NH+](C)C)cc1)c1cccc(O)c1 ZINC000584578242 570311877 /nfs/dbraw/zinc/31/18/77/570311877.db2.gz QAYFBVRNOWKIHB-UIOOFZCWSA-N 1 0 389.539 5.658 40 0 GKABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215641 570313731 /nfs/dbraw/zinc/31/37/31/570313731.db2.gz YXLURSBEFYEVSZ-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215640 570313748 /nfs/dbraw/zinc/31/37/48/570313748.db2.gz YXLURSBEFYEVSZ-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214882 570314767 /nfs/dbraw/zinc/31/47/67/570314767.db2.gz DAIMBFUSOCQCIY-LJQANCHMSA-N 1 0 375.557 5.559 40 0 GKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214563 570314863 /nfs/dbraw/zinc/31/48/63/570314863.db2.gz DFOFCASHPFRNFI-LJQANCHMSA-N 1 0 375.557 5.416 40 0 GKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214668 570314889 /nfs/dbraw/zinc/31/48/89/570314889.db2.gz NRUSYKIHDAGRIU-OAQYLSRUSA-N 1 0 395.547 5.570 40 0 GKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214727 570314935 /nfs/dbraw/zinc/31/49/35/570314935.db2.gz XKJOQVFCTQOCIG-NRFANRHFSA-N 1 0 395.547 5.570 40 0 GKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214703 570315053 /nfs/dbraw/zinc/31/50/53/570315053.db2.gz ARELWYLBFCFEOS-IBGZPJMESA-N 1 0 375.557 5.560 40 0 GKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072214701 570315067 /nfs/dbraw/zinc/31/50/67/570315067.db2.gz OONSKRQXSXUCRW-LJQANCHMSA-N 1 0 375.557 5.416 40 0 GKABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214577 570315118 /nfs/dbraw/zinc/31/51/18/570315118.db2.gz OAWNKUFBXOEPFZ-IBGZPJMESA-N 1 0 375.557 5.416 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072215122 570315245 /nfs/dbraw/zinc/31/52/45/570315245.db2.gz LOZVOYSKTWJCLY-HKUYNNGSSA-N 1 0 375.557 5.415 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072214982 570315296 /nfs/dbraw/zinc/31/52/96/570315296.db2.gz JBUQWCHEUQYVJV-LJQANCHMSA-N 1 0 375.557 5.416 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CCCC ZINC000072215063 570315371 /nfs/dbraw/zinc/31/53/71/570315371.db2.gz WHIQEUJVMOROCE-FQEVSTJZSA-N 1 0 389.584 5.950 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CCCC ZINC000072215062 570315400 /nfs/dbraw/zinc/31/54/00/570315400.db2.gz WHIQEUJVMOROCE-HXUWFJFHSA-N 1 0 389.584 5.950 40 0 GKABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214908 570315439 /nfs/dbraw/zinc/31/54/39/570315439.db2.gz NEXDHCYZFWSCBD-OAQYLSRUSA-N 1 0 395.547 5.569 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072215153 570315454 /nfs/dbraw/zinc/31/54/54/570315454.db2.gz FYSDTSBIVHZWDT-IEBWSBKVSA-N 1 0 375.557 5.557 40 0 GKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215464 570315775 /nfs/dbraw/zinc/31/57/75/570315775.db2.gz OXIBIYSZSDPVCR-HXUWFJFHSA-N 1 0 387.568 5.559 40 0 GKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215524 570315812 /nfs/dbraw/zinc/31/58/12/570315812.db2.gz VZFJXPVPDITNJF-HXUWFJFHSA-N 1 0 387.568 5.559 40 0 GKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215160 570315851 /nfs/dbraw/zinc/31/58/51/570315851.db2.gz TYAIGBPBJVISGT-ICSRJNTNSA-N 1 0 389.584 5.949 40 0 GKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215466 570315912 /nfs/dbraw/zinc/31/59/12/570315912.db2.gz LAIPOPSNDCCQTE-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215568 570315928 /nfs/dbraw/zinc/31/59/28/570315928.db2.gz AVUUJPOFFCNHIR-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072215265 570315950 /nfs/dbraw/zinc/31/59/50/570315950.db2.gz WHYSFGGFJLOLIP-IEBWSBKVSA-N 1 0 375.557 5.557 40 0 GKABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215801 570316467 /nfs/dbraw/zinc/31/64/67/570316467.db2.gz RUDIRUFWUXTTEB-HXUWFJFHSA-N 1 0 381.520 5.700 40 0 GKABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215684 570316545 /nfs/dbraw/zinc/31/65/45/570316545.db2.gz UYCWZRUFZGHECH-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215699 570316573 /nfs/dbraw/zinc/31/65/73/570316573.db2.gz YYEQDVZUODFLEU-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215807 570316584 /nfs/dbraw/zinc/31/65/84/570316584.db2.gz BHJGWGZHZQHXHT-OAQYLSRUSA-N 1 0 395.547 6.092 40 0 GKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215805 570316600 /nfs/dbraw/zinc/31/66/00/570316600.db2.gz WVVDDFYXQSFXBT-OAQYLSRUSA-N 1 0 395.547 5.948 40 0 GKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215820 570316680 /nfs/dbraw/zinc/31/66/80/570316680.db2.gz ADQPGMBIWIFYRJ-OAQYLSRUSA-N 1 0 395.547 6.092 40 0 GKABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215866 570317043 /nfs/dbraw/zinc/31/70/43/570317043.db2.gz HJSGVLMOQXKKGL-NRFANRHFSA-N 1 0 395.547 5.948 40 0 GKABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215879 570317140 /nfs/dbraw/zinc/31/71/40/570317140.db2.gz AUYBUVJPXHLMDR-FQEVSTJZSA-N 1 0 381.520 5.702 40 0 GKABRO CC(C)[N@@H+]1CC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585262848 570320490 /nfs/dbraw/zinc/32/04/90/570320490.db2.gz LWIROSAINAPYRM-KRWDZBQOSA-N 1 0 396.535 5.361 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1)[C@H](O)c1ccccc1 ZINC000022076855 570320740 /nfs/dbraw/zinc/32/07/40/570320740.db2.gz GBCZHEWAVTUHPW-XCLFUZPHSA-N 1 0 376.283 5.465 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)C1 ZINC000022533740 570321262 /nfs/dbraw/zinc/32/12/62/570321262.db2.gz JJCSNPRALFBCCL-CQSZACIVSA-N 1 0 377.315 5.478 40 0 GKABRO Cc1cc(OC[C@]2(O)CCC[N@@H+](C3CCC(C)(C)CC3)C2)cc(C)c1Cl ZINC000585281788 570321657 /nfs/dbraw/zinc/32/16/57/570321657.db2.gz RNDABBCFCYXJKB-QFIPXVFZSA-N 1 0 379.972 5.131 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1C ZINC000219239201 570350508 /nfs/dbraw/zinc/35/05/08/570350508.db2.gz MSZPWDBPGZJXEE-NTKDMRAZSA-N 1 0 378.560 5.416 40 0 GKABRO CC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004011393 570354099 /nfs/dbraw/zinc/35/40/99/570354099.db2.gz JEKQPZGODPLINH-JBXUNAHCSA-N 1 0 375.487 5.515 40 0 GKABRO CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004011392 570354268 /nfs/dbraw/zinc/35/42/68/570354268.db2.gz JEKQPZGODPLINH-RCTAOEEJSA-N 1 0 375.487 5.515 40 0 GKABRO CC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004011391 570354278 /nfs/dbraw/zinc/35/42/78/570354278.db2.gz JEKQPZGODPLINH-QORCZRPOSA-N 1 0 375.487 5.515 40 0 GKABRO CC[NH+](CC)CCO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915627 570367057 /nfs/dbraw/zinc/36/70/57/570367057.db2.gz DMZCCFMMPHJWQY-LDRRNKBBSA-N 1 0 387.608 5.245 40 0 GKABRO C[C@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118919208 570367707 /nfs/dbraw/zinc/36/77/07/570367707.db2.gz JALVTHFTYRPDMB-IQNRCGQSSA-N 1 0 399.663 5.735 40 0 in-man GKABRO Clc1nc2c(cc1C[NH+]1CCCC1)c(-c1ccccc1)nn2-c1ccccc1 ZINC000057740278 570368957 /nfs/dbraw/zinc/36/89/57/570368957.db2.gz RLIJJMJNAYRPHC-UHFFFAOYSA-N 1 0 388.902 5.337 40 0 GKABRO Fc1cccc(C[NH+]2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1 ZINC000057774538 570373518 /nfs/dbraw/zinc/37/35/18/570373518.db2.gz MVBIBXNTEIXSDZ-UHFFFAOYSA-N 1 0 377.385 5.100 40 0 GKABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)s1 ZINC000057774460 570373699 /nfs/dbraw/zinc/37/36/99/570373699.db2.gz UVOGFUPMJYGFQX-ZDUSSCGKSA-N 1 0 395.450 5.300 40 0 GKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371117 570381122 /nfs/dbraw/zinc/38/11/22/570381122.db2.gz FZDRVOARGHCRRW-MJGOQNOKSA-N 1 0 375.557 5.559 40 0 GKABRO Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001281045 570387657 /nfs/dbraw/zinc/38/76/57/570387657.db2.gz ZZVHYASBUBDRQF-HHHXNRCGSA-N 1 0 395.550 5.915 40 0 GKABRO c1ccc(CN[C@H](c2ccccc2)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000023477084 570393706 /nfs/dbraw/zinc/39/37/06/570393706.db2.gz QEUWNGJNPLRKLR-HNRBIFIRSA-N 1 0 392.546 6.049 40 0 GKABRO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000222799850 570426448 /nfs/dbraw/zinc/42/64/48/570426448.db2.gz DFKDXKJFLOUFLG-UHFFFAOYSA-N 1 0 392.930 5.022 40 0 GKABRO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222889847 570430142 /nfs/dbraw/zinc/43/01/42/570430142.db2.gz HTFWUPVOLRVGEM-NRFANRHFSA-N 1 0 392.930 5.022 40 0 GKABRO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1(c2ccccc2)CC1)CC3 ZINC000005158855 570430400 /nfs/dbraw/zinc/43/04/00/570430400.db2.gz KHHFVXIAEOEQSX-VXQMPNGUSA-N 1 0 387.567 5.485 40 0 GKABRO Cc1ccc(C[C@@]2(C)[NH2+][C@@H](c3ccccc3)C(C)=C[C@@H]2[C@H](O)CC(C)C)nc1 ZINC000005389731 570437199 /nfs/dbraw/zinc/43/71/99/570437199.db2.gz SNEWFNDFZYCYJL-ZGFBMJKBSA-N 1 0 378.560 5.005 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000005488379 570442155 /nfs/dbraw/zinc/44/21/55/570442155.db2.gz LSPYPYQDGTXKQV-DEOSSOPVSA-N 1 0 386.580 5.739 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000039761794 570445681 /nfs/dbraw/zinc/44/56/81/570445681.db2.gz PRPYGQWQMRSQJX-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039763204 570445896 /nfs/dbraw/zinc/44/58/96/570445896.db2.gz HTWOGDDGOLJVAD-UHFFFAOYSA-N 1 0 384.951 5.533 40 0 GKABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1Cl ZINC000039773145 570446401 /nfs/dbraw/zinc/44/64/01/570446401.db2.gz CGSDIUHAHIGUQI-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039768071 570446554 /nfs/dbraw/zinc/44/65/54/570446554.db2.gz DKVCCXDJMMXHMJ-GOSISDBHSA-N 1 0 384.951 5.046 40 0 GKABRO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039744986 570447052 /nfs/dbraw/zinc/44/70/52/570447052.db2.gz KDJSHJPSIWVNSA-UHFFFAOYSA-N 1 0 396.840 5.210 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)c1 ZINC000039753291 570447430 /nfs/dbraw/zinc/44/74/30/570447430.db2.gz PMGCQGLPYXFBJL-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039748984 570447438 /nfs/dbraw/zinc/44/74/38/570447438.db2.gz ZCGGTGXLDNKOHT-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039753115 570447561 /nfs/dbraw/zinc/44/75/61/570447561.db2.gz FFCUXPPGAQUNTD-UHFFFAOYSA-N 1 0 384.951 5.316 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1 ZINC000039758989 570449968 /nfs/dbraw/zinc/44/99/68/570449968.db2.gz IVPHPOOWNRSKNI-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)cc1 ZINC000035289770 570455558 /nfs/dbraw/zinc/45/55/58/570455558.db2.gz HWOOIKGSARUNLQ-FRIKZZABSA-N 1 0 397.563 5.006 40 0 GKABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C1 ZINC000225615359 570457140 /nfs/dbraw/zinc/45/71/40/570457140.db2.gz PDMOIQPOEOMYBV-GASCZTMLSA-N 1 0 399.332 5.735 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000005837312 570458800 /nfs/dbraw/zinc/45/88/00/570458800.db2.gz LSPYPYQDGTXKQV-XMMPIXPASA-N 1 0 386.580 5.739 40 0 GKABRO CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000005973464 570463376 /nfs/dbraw/zinc/46/33/76/570463376.db2.gz DAZWNIDEGHHIEQ-HHHXNRCGSA-N 1 0 387.567 6.054 40 0 GKABRO CCCCC[NH+](CCCCC)CC[C@@H](O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000005973194 570463421 /nfs/dbraw/zinc/46/34/21/570463421.db2.gz MRLAIIHEGOVTFF-AREMUKBSSA-N 1 0 379.588 6.364 40 0 GKABRO CCCC[C@@H](CC)CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223414919 570464858 /nfs/dbraw/zinc/46/48/58/570464858.db2.gz YGVFIEDMWIHAMY-HXUWFJFHSA-N 1 0 378.560 5.191 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000223469591 570467438 /nfs/dbraw/zinc/46/74/38/570467438.db2.gz VSTZXUCHPYCYGY-NRFANRHFSA-N 1 0 378.560 5.010 40 0 GKABRO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C ZINC000223470324 570467738 /nfs/dbraw/zinc/46/77/38/570467738.db2.gz OFXPUUOTPBRENC-IBGZPJMESA-N 1 0 398.978 5.355 40 0 GKABRO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C ZINC000223470272 570467961 /nfs/dbraw/zinc/46/79/61/570467961.db2.gz OFXPUUOTPBRENC-LJQANCHMSA-N 1 0 398.978 5.355 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000006857361 570497023 /nfs/dbraw/zinc/49/70/23/570497023.db2.gz PUPGLBUBMXKWMU-UHFFFAOYSA-N 1 0 394.386 6.877 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000007260977 570501769 /nfs/dbraw/zinc/50/17/69/570501769.db2.gz FLCHYQRZVWWCGD-UHFFFAOYSA-N 1 0 375.940 5.988 40 0 GKABRO CCCCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000007261007 570502110 /nfs/dbraw/zinc/50/21/10/570502110.db2.gz SJVNQKIFQLEBLE-UHFFFAOYSA-N 1 0 396.358 6.251 40 0 GKABRO CCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000007261269 570502122 /nfs/dbraw/zinc/50/21/22/570502122.db2.gz VFHCNJFYUZXCRB-UHFFFAOYSA-N 1 0 396.756 5.961 40 0 GKABRO CCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000007261297 570502198 /nfs/dbraw/zinc/50/21/98/570502198.db2.gz KNRUFGCGUOFYAN-UHFFFAOYSA-N 1 0 396.358 6.251 40 0 GKABRO CCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000007261264 570502228 /nfs/dbraw/zinc/50/22/28/570502228.db2.gz SZCSLSQTYINAPG-UHFFFAOYSA-N 1 0 380.301 5.447 40 0 GKABRO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000007261243 570502252 /nfs/dbraw/zinc/50/22/52/570502252.db2.gz ZKHRWHBIOPOBCH-UHFFFAOYSA-N 1 0 379.903 5.737 40 0 GKABRO Brc1ccc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007524884 570507036 /nfs/dbraw/zinc/50/70/36/570507036.db2.gz UHODAUJCKZIKKZ-UHFFFAOYSA-N 1 0 386.333 5.768 40 0 GKABRO Brc1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)cc1 ZINC000007524886 570507047 /nfs/dbraw/zinc/50/70/47/570507047.db2.gz FMAFDZRUDJXUBC-UHFFFAOYSA-N 1 0 386.333 5.623 40 0 GKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000007525182 570507213 /nfs/dbraw/zinc/50/72/13/570507213.db2.gz ZMVSRHYWTPOMEQ-UHFFFAOYSA-N 1 0 381.903 5.526 40 0 GKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc2c(ccc3ccccc23)o1 ZINC000224610495 570520430 /nfs/dbraw/zinc/52/04/30/570520430.db2.gz IZKGPCJBHRHFAG-UHFFFAOYSA-N 1 0 384.479 5.112 40 0 GKABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Br)c1OCC ZINC000008253850 570525579 /nfs/dbraw/zinc/52/55/79/570525579.db2.gz HZAHTAHMFICYMF-UHFFFAOYSA-N 1 0 398.728 5.190 40 0 GKABRO COc1cc(C)c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C(C)C ZINC000224705104 570526202 /nfs/dbraw/zinc/52/62/02/570526202.db2.gz LIJVPIYGTPRQAT-UHFFFAOYSA-N 1 0 394.559 5.043 40 0 GKABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OCc1ccccc1 ZINC000008326643 570528014 /nfs/dbraw/zinc/52/80/14/570528014.db2.gz BFKCTZDJARSJFY-HNNXBMFYSA-N 1 0 392.337 5.315 40 0 GKABRO CCOc1ccc(Br)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008324484 570528309 /nfs/dbraw/zinc/52/83/09/570528309.db2.gz ZBEQRYYYGHIQEO-LVBDODCMSA-N 1 0 392.381 5.686 40 0 GKABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471645 570531916 /nfs/dbraw/zinc/53/19/16/570531916.db2.gz PTPRCZQUOPRVCM-UHFFFAOYSA-N 1 0 394.342 6.003 40 0 GKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccncc2)cc1 ZINC000008436601 570531949 /nfs/dbraw/zinc/53/19/49/570531949.db2.gz UZMHNKGLQIIFEY-UHFFFAOYSA-N 1 0 388.898 5.757 40 0 GKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccncc1 ZINC000008436602 570531993 /nfs/dbraw/zinc/53/19/93/570531993.db2.gz YWLXVDKHPCYHIF-UHFFFAOYSA-N 1 0 388.898 5.757 40 0 GKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 ZINC000008470370 570532024 /nfs/dbraw/zinc/53/20/24/570532024.db2.gz MPFAWURYROOENF-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000008474338 570532435 /nfs/dbraw/zinc/53/24/35/570532435.db2.gz WDPRBJSMOVRQIS-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO C[C@]12CC3CC([NH2+]Cc4cccc(OCc5ccccc5F)c4)(C1)C[C@@](C)(C3)C2 ZINC000008534544 570533493 /nfs/dbraw/zinc/53/34/93/570533493.db2.gz FTGGVBITACBOAB-FMLGTGLNSA-N 1 0 393.546 6.243 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)C1 ZINC000224964162 570539897 /nfs/dbraw/zinc/53/98/97/570539897.db2.gz WJIRYEPWCDDVSP-HXUWFJFHSA-N 1 0 391.559 5.161 40 0 GKABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnn(C3CCCCC3)c2)s1 ZINC000036740426 570568656 /nfs/dbraw/zinc/56/86/56/570568656.db2.gz VTWNPNDLCUPFHI-UHFFFAOYSA-N 1 0 397.592 5.047 40 0 GKABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2[nH]c3ccc(F)cc3c2C)s1 ZINC000036740413 570568749 /nfs/dbraw/zinc/56/87/49/570568749.db2.gz SPGPMCZULMZLGM-UHFFFAOYSA-N 1 0 396.535 5.274 40 0 GKABRO S=C(NCCC[NH+]1CCCCC1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225409986 570571196 /nfs/dbraw/zinc/57/11/96/570571196.db2.gz IMHPFBQSQMMDMB-UHFFFAOYSA-N 1 0 399.629 5.141 40 0 GKABRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833073 570585117 /nfs/dbraw/zinc/58/51/17/570585117.db2.gz CFFFZKUBYUTOEU-AREMUKBSSA-N 1 0 398.550 5.128 40 0 GKABRO O=C(Nc1ccccc1Br)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038834917 570586422 /nfs/dbraw/zinc/58/64/22/570586422.db2.gz 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Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(C)c(C)c2)on1 ZINC000012134520 570613861 /nfs/dbraw/zinc/61/38/61/570613861.db2.gz WVOHTCDOSNIZEJ-UKILVPOCSA-N 1 0 389.543 5.408 40 0 GKABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccnc3ccc(Cl)cc23)o1 ZINC000043277776 570626781 /nfs/dbraw/zinc/62/67/81/570626781.db2.gz KONXYRVLGPVONH-UHFFFAOYSA-N 1 0 394.906 5.079 40 0 GKABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000225905146 570632060 /nfs/dbraw/zinc/63/20/60/570632060.db2.gz MVGKUDLSESRUQK-CRAIPNDOSA-N 1 0 391.342 5.083 40 0 GKABRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000225910711 570632729 /nfs/dbraw/zinc/63/27/29/570632729.db2.gz OADRVGRCSCWQNQ-CQSZACIVSA-N 1 0 395.305 5.008 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1C ZINC000044856356 570636477 /nfs/dbraw/zinc/63/64/77/570636477.db2.gz IEKUYEVVMYWENW-SFHVURJKSA-N 1 0 384.951 5.046 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000044856409 570636748 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382.729 5.427 40 0 GKABRO CCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000007260996 570757115 /nfs/dbraw/zinc/75/71/15/570757115.db2.gz LJCPUKWNJOLFCV-UHFFFAOYSA-N 1 0 376.338 5.698 40 0 GKABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007519681 570759986 /nfs/dbraw/zinc/75/99/86/570759986.db2.gz HXXFFBOTQLZETO-UHFFFAOYSA-N 1 0 379.500 5.182 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007539710 570760526 /nfs/dbraw/zinc/76/05/26/570760526.db2.gz YYTSEPRTIHIGEU-KWJFTMPMSA-N 1 0 387.926 6.434 40 0 GKABRO CC1CC[NH+](CCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 ZINC000013648818 570766800 /nfs/dbraw/zinc/76/68/00/570766800.db2.gz SBELUILWXIGULT-RELWKKBWSA-N 1 0 396.962 5.119 40 0 GKABRO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000009062620 570774023 /nfs/dbraw/zinc/77/40/23/570774023.db2.gz FELIMUXWTAYXJD-GOSISDBHSA-N 1 0 384.951 5.046 40 0 GKABRO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000068605811 570800564 /nfs/dbraw/zinc/80/05/64/570800564.db2.gz FLBFKNBZPZWVOZ-RXFWQSSRSA-N 1 0 384.523 5.244 40 0 GKABRO CC(C)[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013152590 570837529 /nfs/dbraw/zinc/83/75/29/570837529.db2.gz XANBEVHQLOSTKB-JVYGEBFASA-N 1 0 385.551 5.965 40 0 GKABRO Cc1ccccc1CC[N@H+]1Cc2cc3ccccc3nc2O[C@H](c2ccccc2)C1 ZINC000013563906 570852185 /nfs/dbraw/zinc/85/21/85/570852185.db2.gz HLVMCNMNXXKOEO-SANMLTNESA-N 1 0 394.518 5.722 40 0 GKABRO Cc1cc(C)n(-c2cccc(C[N@H+](Cc3ccncc3)Cc3ccc(C)cc3)c2)n1 ZINC000013989360 570868383 /nfs/dbraw/zinc/86/83/83/570868383.db2.gz KWDLPBXINFVHHC-UHFFFAOYSA-N 1 0 396.538 5.395 40 0 GKABRO COc1ccc2[nH]c(C[N@H+](Cc3ccncc3)Cc3ccc(C)cc3)c(C)c2c1 ZINC000013989339 570868407 /nfs/dbraw/zinc/86/84/07/570868407.db2.gz WMZPCZJLXIIUIB-UHFFFAOYSA-N 1 0 385.511 5.391 40 0 GKABRO O[C@@H]([C@@H]1C[C@H](c2ccccc2)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CCCC[NH2+]1 ZINC000005069141 570897870 /nfs/dbraw/zinc/89/78/70/570897870.db2.gz XMRIKEJBXXNIAW-LYSIVYOWSA-N 1 0 391.342 5.137 40 0 GKABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017077878 570916951 /nfs/dbraw/zinc/91/69/51/570916951.db2.gz RQTHXMHQCKIENV-UHFFFAOYSA-N 1 0 380.875 5.448 40 0 GKABRO Cc1ccc(C(=O)C[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016291812 570921021 /nfs/dbraw/zinc/92/10/21/570921021.db2.gz YSXLADLJJLHHMK-RUZDIDTESA-N 1 0 384.523 5.131 40 0 GKABRO Cc1ccc(C(=O)C[C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016291814 570921057 /nfs/dbraw/zinc/92/10/57/570921057.db2.gz YSXLADLJJLHHMK-VWLOTQADSA-N 1 0 384.523 5.131 40 0 GKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1cccc(C)c1 ZINC000016349336 570923041 /nfs/dbraw/zinc/92/30/41/570923041.db2.gz BYBABYFJVNROJQ-UHFFFAOYSA-N 1 0 379.475 5.054 40 0 GKABRO c1ccc(-c2nc3ccccc3nc2C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000016492025 570926533 /nfs/dbraw/zinc/92/65/33/570926533.db2.gz ZVIHRZACBDHRFS-UHFFFAOYSA-N 1 0 379.507 5.676 40 0 GKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCCCC1 ZINC000016525867 570927398 /nfs/dbraw/zinc/92/73/98/570927398.db2.gz IRSBQSFABNJCMM-UHFFFAOYSA-N 1 0 393.958 6.885 40 0 GKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCC2)cc1 ZINC000016525851 570927480 /nfs/dbraw/zinc/92/74/80/570927480.db2.gz OJHXFYCPLSHSQC-UHFFFAOYSA-N 1 0 379.931 6.495 40 0 GKABRO CC[NH+](CC)CCN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000019898167 570931805 /nfs/dbraw/zinc/93/18/05/570931805.db2.gz NODDJZDTTAXVGC-RUZDIDTESA-N 1 0 393.619 5.724 40 0 GKABRO Cc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000003178291 570955262 /nfs/dbraw/zinc/95/52/62/570955262.db2.gz WHOKDCUHUJXUPY-UHFFFAOYSA-N 1 0 398.529 7.273 40 0 GKABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)on1 ZINC000019120454 570956920 /nfs/dbraw/zinc/95/69/20/570956920.db2.gz RKRPJCVBIKAUPZ-NZQKXSOJSA-N 1 0 395.934 5.445 40 0 GKABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)o2)s1 ZINC000019217868 570962414 /nfs/dbraw/zinc/96/24/14/570962414.db2.gz SWSFPLXVKPJEPG-UHFFFAOYSA-N 1 0 390.512 5.034 40 0 GKABRO CCC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555385 570981211 /nfs/dbraw/zinc/98/12/11/570981211.db2.gz DWMBLMXBAOMOLC-GWMMUDDPSA-N 1 0 385.551 5.852 40 0 GKABRO O=C([C@H]1CCC[N@@H+](C2CCCCCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745334 570992953 /nfs/dbraw/zinc/99/29/53/570992953.db2.gz RUQLXCXEKHNFLJ-DEOSSOPVSA-N 1 0 396.619 5.293 40 0 GKABRO C[C@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000054670904 571013696 /nfs/dbraw/zinc/01/36/96/571013696.db2.gz UYCLTBPWRCSHSX-HXUWFJFHSA-N 1 0 396.534 5.778 40 0 GKABRO Cc1c(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c(-c2ccccc2)nn1C ZINC000019658572 571024370 /nfs/dbraw/zinc/02/43/70/571024370.db2.gz GLBRNIBIYXVGPA-FQEVSTJZSA-N 1 0 388.540 5.342 40 0 GKABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)c(C)n1 ZINC000019686996 571028102 /nfs/dbraw/zinc/02/81/02/571028102.db2.gz QQQBFQSAVWAPBD-RUZDIDTESA-N 1 0 388.559 5.151 40 0 GKABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cn1 ZINC000019692067 571029723 /nfs/dbraw/zinc/02/97/23/571029723.db2.gz VLESMFWDJZKASU-HSZRJFAPSA-N 1 0 394.950 5.188 40 0 GKABRO C[C@@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000123212138 231024808 /nfs/dbraw/zinc/02/48/08/231024808.db2.gz DCQBOIHKCBTVFH-BBXZQBFESA-N 1 0 397.647 5.943 40 0 GKABRO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C(C)C ZINC000223314049 222629573 /nfs/dbraw/zinc/62/95/73/222629573.db2.gz WTCGBMQHQRTTEY-IBGZPJMESA-N 1 0 394.559 5.214 40 0 GKABRO Clc1ccc(COc2ccccc2C[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000016449631 210190913 /nfs/dbraw/zinc/19/09/13/210190913.db2.gz RKWDGDLHNGXPKR-UHFFFAOYSA-N 1 0 378.343 6.385 40 0 GKABRO Cc1ccc(SCc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)cc1 ZINC000013675019 210077141 /nfs/dbraw/zinc/07/71/41/210077141.db2.gz XCFQNFZORPAYTF-UHFFFAOYSA-N 1 0 396.600 5.283 40 0 GKABRO Cc1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCCC3)cc1 ZINC000002684729 209376953 /nfs/dbraw/zinc/37/69/53/209376953.db2.gz WBAFPEKAXIATTH-UHFFFAOYSA-N 1 0 382.325 5.229 40 0 GKABRO CC[NH+](CC)CC[C@@H](CNc1ccnc2cc(Cl)ccc21)c1ccc(O)cc1 ZINC000002042647 209343279 /nfs/dbraw/zinc/34/32/79/209343279.db2.gz HBKQCUYPHQEPGT-SFHVURJKSA-N 1 0 397.950 5.521 40 0 GKABRO Clc1cccc(N2CCN(c3c4ccccc4[nH+]c4c3CCCCC4)CC2)c1 ZINC000001699187 209336269 /nfs/dbraw/zinc/33/62/69/209336269.db2.gz QORNMQQHXMBIAH-UHFFFAOYSA-N 1 0 391.946 5.484 40 0 GKABRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)nc2c1[C@H](c1ccccc1)C(C)(C)O2 ZINC000001708598 212253771 /nfs/dbraw/zinc/25/37/71/212253771.db2.gz YDGXKUDVQSMUDF-UTKZUKDTSA-N 1 0 396.579 5.010 40 0 GKABRO CC[NH+](CC)CC[C@@H](CNc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000002042881 212262123 /nfs/dbraw/zinc/26/21/23/212262123.db2.gz MTCDAAIAIIMJHW-IBGZPJMESA-N 1 0 381.951 5.816 40 0 GKABRO O[C@@H](c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001608700 212250935 /nfs/dbraw/zinc/25/09/35/212250935.db2.gz SIMZCSJWBZNZHN-CTNGQTDRSA-N 1 0 387.310 5.384 40 0 GKABRO CCc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCCCC3)cc1 ZINC000001468171 212247344 /nfs/dbraw/zinc/24/73/44/212247344.db2.gz XSUJQLOHPLJRQT-UHFFFAOYSA-N 1 0 383.462 5.322 40 0 GKABRO COc1ccc(CCNc2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cc1 ZINC000257318515 212024516 /nfs/dbraw/zinc/02/45/16/212024516.db2.gz VOGJRWCQYMMETH-OAQYLSRUSA-N 1 0 393.575 5.257 40 0 GKABRO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1 ZINC000257316493 212024295 /nfs/dbraw/zinc/02/42/95/212024295.db2.gz VFVYGQPCLVQUGQ-QFIPXVFZSA-N 1 0 376.479 5.052 40 0 GKABRO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)C4CCCCC4)C3)c2)s1 ZINC000257327082 212026765 /nfs/dbraw/zinc/02/67/65/212026765.db2.gz WZWGPDYZEWKAPL-GOSISDBHSA-N 1 0 398.576 5.185 40 0 GKABRO c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccn3)c(-c3ccccc3)c2)cc1 ZINC000005332052 203825767 /nfs/dbraw/zinc/82/57/67/203825767.db2.gz BSWIHZHPCONHAB-UHFFFAOYSA-N 1 0 385.490 6.359 40 0 GKABRO CCCC[C@@]1(O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004109025 204028044 /nfs/dbraw/zinc/02/80/44/204028044.db2.gz UJRIBUDZMNUBLS-OWYCYUENSA-N 1 0 383.532 5.037 40 0 GKABRO CC(C)[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004176979 204030736 /nfs/dbraw/zinc/03/07/36/204030736.db2.gz KLOBRRLODJPCDR-YIPNQBBMSA-N 1 0 385.551 5.708 40 0 GKABRO CCCC[C@H](CC)C[NH+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H](CC)CCCC ZINC000004792160 204075943 /nfs/dbraw/zinc/07/59/43/204075943.db2.gz UNCPULXBAXBGOC-HFMPRLQTSA-N 1 0 396.059 7.108 40 0 GKABRO CC[C@@]1(C)C[C@@H]([C@@H](CC[NH2+]Cc2ccc(F)cc2)c2ccc(C)cc2)CCO1 ZINC000004815160 204078572 /nfs/dbraw/zinc/07/85/72/204078572.db2.gz CWHCPPKINMQAJH-HVCNVCAESA-N 1 0 383.551 5.993 40 0 GKABRO CCC[C@]1(CN2c3ccccc3Sc3ccc(Cl)cc32)CC[N@H+](CC)C1 ZINC000005053137 204106639 /nfs/dbraw/zinc/10/66/39/204106639.db2.gz RNABUSFDZDWNAG-QFIPXVFZSA-N 1 0 386.992 6.455 40 0 GKABRO CC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000005932912 204157024 /nfs/dbraw/zinc/15/70/24/204157024.db2.gz VFFBJZCCXOYRNN-FTJBHMTQSA-N 1 0 389.539 5.057 40 0 GKABRO CCCCCC[NH+](CCCCCC)CCC[C@@H](O)c1cccc2ccccc21 ZINC000005523960 204137747 /nfs/dbraw/zinc/13/77/47/204137747.db2.gz JOCVEBLBLYTIRB-AREMUKBSSA-N 1 0 383.620 7.116 40 0 GKABRO Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccc2c(c1)Sc1ccccc1O2 ZINC000005535026 204138873 /nfs/dbraw/zinc/13/88/73/204138873.db2.gz XYWFDBBCCCDNRP-UHFFFAOYSA-N 1 0 382.508 6.504 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000006857334 204216008 /nfs/dbraw/zinc/21/60/08/204216008.db2.gz KLOKOIADEMGFSB-UHFFFAOYSA-N 1 0 393.546 6.862 40 0 GKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 ZINC000007537934 204242479 /nfs/dbraw/zinc/24/24/79/204242479.db2.gz SPSDNISETDZOAH-UHFFFAOYSA-N 1 0 395.930 5.916 40 0 GKABRO CCOc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(Cl)cc1 ZINC000008254547 204268098 /nfs/dbraw/zinc/26/80/98/204268098.db2.gz LZZQAGBCQFJKSU-UHFFFAOYSA-N 1 0 387.932 5.669 40 0 GKABRO CCOc1c(Cl)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OC ZINC000008253374 204268252 /nfs/dbraw/zinc/26/82/52/204268252.db2.gz UYRKUTUOJQBOOE-NJMHRBNOSA-N 1 0 377.956 5.586 40 0 GKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccccc1 ZINC000008472007 204277500 /nfs/dbraw/zinc/27/75/00/204277500.db2.gz WPYZZDGTNMZLQB-UHFFFAOYSA-N 1 0 386.495 5.088 40 0 GKABRO Cc1noc(C)c1-c1cccc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)n1 ZINC000257283505 212015592 /nfs/dbraw/zinc/01/55/92/212015592.db2.gz OYQATYWHYBEWAD-UHFFFAOYSA-N 1 0 386.499 5.214 40 0 GKABRO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(NCc2ccccc2)[nH+]1 ZINC000329024280 209158039 /nfs/dbraw/zinc/15/80/39/209158039.db2.gz OYSNLRPZVAWWLY-UHFFFAOYSA-N 1 0 386.543 5.510 40 0 GKABRO Fc1ccccc1CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000016480639 204595955 /nfs/dbraw/zinc/59/59/55/204595955.db2.gz BSKHYIBNNROTBU-UHFFFAOYSA-N 1 0 385.482 5.890 40 0 GKABRO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038835449 205040901 /nfs/dbraw/zinc/04/09/01/205040901.db2.gz BVGPTHPGVOOCKK-CQSZACIVSA-N 1 0 397.733 5.498 40 0 GKABRO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834055 205038213 /nfs/dbraw/zinc/03/82/13/205038213.db2.gz AJWTYQDIDUOGGM-LJQANCHMSA-N 1 0 378.903 5.344 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C)c(C)c1 ZINC000044856561 205087493 /nfs/dbraw/zinc/08/74/93/205087493.db2.gz DGLAWLVAUOGLJW-DEOSSOPVSA-N 1 0 378.560 5.416 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(C)c(C)c1 ZINC000044856504 205088235 /nfs/dbraw/zinc/08/82/35/205088235.db2.gz VIYDUYFIEPQVNL-XMMPIXPASA-N 1 0 378.560 5.091 40 0 GKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000044906137 205090055 /nfs/dbraw/zinc/09/00/55/205090055.db2.gz KKYFASAQTSDEPF-HXUWFJFHSA-N 1 0 392.587 5.851 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(C)cc1 ZINC000044935896 205090710 /nfs/dbraw/zinc/09/07/10/205090710.db2.gz QGKRAFXTKBUXFF-AREMUKBSSA-N 1 0 398.550 5.434 40 0 GKABRO CCC1(CC)C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccccc2O1 ZINC000223247425 211827435 /nfs/dbraw/zinc/82/74/35/211827435.db2.gz FQOJLHGWLRPCGI-JOCHJYFZSA-N 1 0 392.543 5.095 40 0 GKABRO c1ccc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cccc4ncccc34)n2)nc1 ZINC000072375733 205337416 /nfs/dbraw/zinc/33/74/16/205337416.db2.gz INJAGXWEBNCIAY-QFIPXVFZSA-N 1 0 381.483 5.106 40 0 GKABRO c1ccc(Nc2cccc([C@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072376042 205338523 /nfs/dbraw/zinc/33/85/23/205338523.db2.gz AYFXDHLDZMPMPH-NRFANRHFSA-N 1 0 395.510 5.148 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)c1 ZINC000223469783 206001692 /nfs/dbraw/zinc/00/16/92/206001692.db2.gz QDKQNWAFBSKDGP-OAQYLSRUSA-N 1 0 378.560 5.010 40 0 GKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)/C(=C/c1ccccc1)c1ccccc1 ZINC000224592374 206023305 /nfs/dbraw/zinc/02/33/05/206023305.db2.gz DNECMKUKDGPBCZ-LGUFXXKBSA-N 1 0 396.534 5.139 40 0 GKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cc2c(ccc3ccccc23)o1 ZINC000224666136 206026214 /nfs/dbraw/zinc/02/62/14/206026214.db2.gz MSKZNHMBLBQYAG-UHFFFAOYSA-N 1 0 398.506 5.502 40 0 GKABRO O=C(CCc1cccc2ccccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224849258 206029245 /nfs/dbraw/zinc/02/92/45/206029245.db2.gz RRTDUGVYRWYUTG-UHFFFAOYSA-N 1 0 386.539 5.075 40 0 GKABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000257276132 206172050 /nfs/dbraw/zinc/17/20/50/206172050.db2.gz NSLOPCQNQKANQO-NRFANRHFSA-N 1 0 386.499 5.214 40 0 GKABRO Clc1ccc(Cc2ccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)nc2)cc1 ZINC000257344686 206183689 /nfs/dbraw/zinc/18/36/89/206183689.db2.gz ZYHKQGOSLNQTTQ-HSZRJFAPSA-N 1 0 390.958 5.748 40 0 GKABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc1Cl ZINC000253450043 206208810 /nfs/dbraw/zinc/20/88/10/206208810.db2.gz BSDLZQLWTDECAG-UHFFFAOYSA-N 1 0 395.938 5.213 40 0 GKABRO CC[NH+](CC)CCOc1ccc([C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000077287058 206210598 /nfs/dbraw/zinc/21/05/98/206210598.db2.gz QRDUUUZNVAYWOU-RUZDIDTESA-N 1 0 387.523 5.422 40 0 in-vitro GKABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000216827519 206254169 /nfs/dbraw/zinc/25/41/69/206254169.db2.gz VMQPITGEQCTENP-GJZGRUSLSA-N 1 0 399.332 6.020 40 0 GKABRO CC1CC[NH+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)CC1 ZINC000216840898 206253668 /nfs/dbraw/zinc/25/36/68/206253668.db2.gz YEZKAZDSPPMVLV-UHFFFAOYSA-N 1 0 385.305 5.489 40 0 GKABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C1 ZINC000216827331 206253862 /nfs/dbraw/zinc/25/38/62/206253862.db2.gz UTLVCHQJCAVPER-HUUCEWRRSA-N 1 0 399.332 5.735 40 0 GKABRO c1ccc(-c2cc(-c3ccccc3)[n+](-c3ncccn3)c(-c3ccccc3)c2)cc1 ZINC000005490591 206292642 /nfs/dbraw/zinc/29/26/42/206292642.db2.gz XYYJEMYEHFERSB-UHFFFAOYSA-N 1 0 386.478 5.754 40 0 GKABRO COc1cc(N[C@H](C)CCC[NH3+])c2nc(C)ccc2c1Oc1ccc(F)cc1 ZINC000001568080 206385216 /nfs/dbraw/zinc/38/52/16/206385216.db2.gz DCVAXQLEGOZNEJ-CQSZACIVSA-N 1 0 383.467 5.023 40 0 GKABRO CC(C)c1ccc(C[C@@H]2C[NH+](C)C[C@@H](Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000001626845 206387224 /nfs/dbraw/zinc/38/72/24/206387224.db2.gz IRROJJKZRAYGGH-JWQCQUIFSA-N 1 0 377.572 5.466 40 0 GKABRO CC[NH+](CC)CCCCCCNc1cccc2cc(Br)cnc21 ZINC000001591913 206387409 /nfs/dbraw/zinc/38/74/09/206387409.db2.gz YXFBVLDGVPOCID-UHFFFAOYSA-N 1 0 378.358 5.311 40 0 GKABRO C[NH+](C)Cc1c(CC(O)(c2ccccc2)c2ccccc2)ccc2ccccc21 ZINC000001615640 206387628 /nfs/dbraw/zinc/38/76/28/206387628.db2.gz YKHGSWAHGFYEGQ-UHFFFAOYSA-N 1 0 381.519 5.380 40 0 GKABRO CC[NH+](CC)CCC[C@H](C)Nc1nc(C)nc2c1[C@@H](c1ccccc1)C(C)(C)O2 ZINC000001708601 206389725 /nfs/dbraw/zinc/38/97/25/206389725.db2.gz YDGXKUDVQSMUDF-LAUBAEHRSA-N 1 0 396.579 5.010 40 0 GKABRO CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2ncc1-c1ccccc1 ZINC000001729657 206390286 /nfs/dbraw/zinc/39/02/86/206390286.db2.gz PLCHDCWWUWAKPR-SFHVURJKSA-N 1 0 395.978 6.478 40 0 GKABRO CC(C)CC[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000005205095 206599586 /nfs/dbraw/zinc/59/95/86/206599586.db2.gz PGUXKYVXWOCCMQ-SESVDKBCSA-N 1 0 380.016 6.638 40 0 GKABRO C[NH+](C)CCCN1c2ccccc2C[C@@H](C(=O)Nc2ccccc2)c2ccccc21 ZINC000005333851 206606682 /nfs/dbraw/zinc/60/66/82/206606682.db2.gz JEHAGTWNLIYJMA-HSZRJFAPSA-N 1 0 399.538 5.055 40 0 GKABRO CC[C@@]1(C)C[C@@](CC[NH2+][C@H](C)c2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000102761580 211415993 /nfs/dbraw/zinc/41/59/93/211415993.db2.gz OVJXVHHKPLUBEK-WTIAFYNJSA-N 1 0 380.016 6.782 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000006857356 206687076 /nfs/dbraw/zinc/68/70/76/206687076.db2.gz FZWWHVMTUIVURV-UHFFFAOYSA-N 1 0 394.386 6.877 40 0 GKABRO CCOCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008253122 206743436 /nfs/dbraw/zinc/74/34/36/206743436.db2.gz BQCQMSUPRRYZTQ-UHFFFAOYSA-N 1 0 383.919 5.588 40 0 GKABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccc5ccccc5n4)CC3)o2)s1 ZINC000019217848 207108073 /nfs/dbraw/zinc/10/80/73/207108073.db2.gz BSOIRJPXNWOMLG-UHFFFAOYSA-N 1 0 390.512 5.034 40 0 GKABRO c1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cs1 ZINC000019346369 207118308 /nfs/dbraw/zinc/11/83/08/207118308.db2.gz BANPSUIWARCLKP-GOSISDBHSA-N 1 0 382.485 5.249 40 0 GKABRO CCOc1ccc([C@@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)cc1 ZINC000019532659 207131141 /nfs/dbraw/zinc/13/11/41/207131141.db2.gz GGTKCUJOSDLTRD-IERDGZPVSA-N 1 0 379.504 5.006 40 0 GKABRO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)s1 ZINC000019691918 207148354 /nfs/dbraw/zinc/14/83/54/207148354.db2.gz SNONUFCCQHKNOP-JOCHJYFZSA-N 1 0 381.520 5.222 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000019933512 207171908 /nfs/dbraw/zinc/17/19/08/207171908.db2.gz VBOZOSBDOCIKLX-UHFFFAOYSA-N 1 0 390.571 5.013 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)C1 ZINC000020452647 207192969 /nfs/dbraw/zinc/19/29/69/207192969.db2.gz NAZMGJWKHWROGJ-NRFANRHFSA-N 1 0 390.571 5.013 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000020455732 207194977 /nfs/dbraw/zinc/19/49/77/207194977.db2.gz HSSNKOYKEQORSX-VWLOTQADSA-N 1 0 384.523 5.126 40 0 GKABRO Clc1ccccc1COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022073775 207246234 /nfs/dbraw/zinc/24/62/34/207246234.db2.gz ZZQOXXVPKLXEJL-UHFFFAOYSA-N 1 0 381.947 5.977 40 0 GKABRO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030945411 207376809 /nfs/dbraw/zinc/37/68/09/207376809.db2.gz BNDNJIRQOCSJHP-CQSZACIVSA-N 1 0 397.733 5.498 40 0 GKABRO COC(c1ccccc1)(c1ccccc1)[C@H]1[C@H](c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000031719413 207384453 /nfs/dbraw/zinc/38/44/53/207384453.db2.gz JBAHSWIYXPCPOY-ZDCXKQOISA-N 1 0 397.562 6.335 40 0 GKABRO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000072357721 208000528 /nfs/dbraw/zinc/00/05/28/208000528.db2.gz PWLGPCIMFGIJQW-JOCHJYFZSA-N 1 0 397.444 5.423 40 0 GKABRO c1ccc(Nc2ccc([C@@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)nc2)nc1 ZINC000072353351 208001061 /nfs/dbraw/zinc/00/10/61/208001061.db2.gz FZNSSVWLCYODPA-HXUWFJFHSA-N 1 0 395.510 5.148 40 0 GKABRO CCn1c2ccccc2c2cc(CN3CC[NH+](C[C@H]4C[C@@H]5C=C[C@H]4C5)CC3)ccc21 ZINC000019889661 210304008 /nfs/dbraw/zinc/30/40/08/210304008.db2.gz XXBYUKOZMOTUIR-AKIFATBCSA-N 1 0 399.582 5.144 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cccc2ccc(Cl)cc21 ZINC000005973027 220910786 /nfs/dbraw/zinc/91/07/86/220910786.db2.gz UEQCXAIDBHGCNR-XMMPIXPASA-N 1 0 390.011 6.989 40 0 GKABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)ccn1 ZINC000257210981 209055501 /nfs/dbraw/zinc/05/55/01/209055501.db2.gz BWYDIVPONSEOKI-UHFFFAOYSA-N 1 0 386.499 5.214 40 0 GKABRO Cc1noc(C)c1-c1ccnc(C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)c1 ZINC000257246729 209060605 /nfs/dbraw/zinc/06/06/05/209060605.db2.gz IVOOACPHNGDNEC-UHFFFAOYSA-N 1 0 386.499 5.214 40 0 GKABRO COc1ccc(-c2ccc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)o2)cc1Cl ZINC000007539554 221000762 /nfs/dbraw/zinc/00/07/62/221000762.db2.gz KXLXGGCEPGHNDO-XARYMXHKSA-N 1 0 399.962 6.447 40 0 GKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3cccc(Cl)c3C)o2)cc1OC ZINC000007538979 221001125 /nfs/dbraw/zinc/00/11/25/221001125.db2.gz MJPKXMFZNVCQOP-UHFFFAOYSA-N 1 0 385.891 5.258 40 0 GKABRO Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000007537980 221001407 /nfs/dbraw/zinc/00/14/07/221001407.db2.gz NZZJCAQEIOETQO-UHFFFAOYSA-N 1 0 386.322 6.171 40 0 GKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OCC ZINC000008253867 221033568 /nfs/dbraw/zinc/03/35/68/221033568.db2.gz VCEXKTCVOWIEIW-SVIALIIXSA-N 1 0 391.983 5.976 40 0 GKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000008471524 221041598 /nfs/dbraw/zinc/04/15/98/221041598.db2.gz QUOVSCWPBLSCDF-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1c(F)cccc1Cl ZINC000008471326 221041981 /nfs/dbraw/zinc/04/19/81/221041981.db2.gz DBFBGOIGWXEFHI-UHFFFAOYSA-N 1 0 391.914 5.879 40 0 GKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000008535327 221043128 /nfs/dbraw/zinc/04/31/28/221043128.db2.gz BKRFRQHFWIFSAX-QGZVFWFLSA-N 1 0 381.903 5.778 40 0 GKABRO C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000008497402 221043454 /nfs/dbraw/zinc/04/34/54/221043454.db2.gz JGLWSNYIZIYNTL-ABVOBTCJSA-N 1 0 393.546 6.099 40 0 GKABRO COc1ccc(Br)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008534509 221043582 /nfs/dbraw/zinc/04/35/82/221043582.db2.gz BMSKZYQEVKGOFK-ODNNXGBQSA-N 1 0 378.354 5.296 40 0 GKABRO C[C@@H](C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc(C(F)F)n[nH]2)C1)c1ccccc1 ZINC000012129120 221156228 /nfs/dbraw/zinc/15/62/28/221156228.db2.gz SKYAGWWWQFFOHD-FFZOFVMBSA-N 1 0 381.470 5.334 40 0 GKABRO C[C@H](C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc(C(F)F)n[nH]2)C1)c1ccccc1 ZINC000012129126 221156738 /nfs/dbraw/zinc/15/67/38/221156738.db2.gz SKYAGWWWQFFOHD-LSTHTHJFSA-N 1 0 381.470 5.334 40 0 GKABRO Cc1ccccc1CC[N@H+]1Cc2cc3ccccc3nc2O[C@@H](c2ccccc2)C1 ZINC000013563908 221273004 /nfs/dbraw/zinc/27/30/04/221273004.db2.gz HLVMCNMNXXKOEO-AREMUKBSSA-N 1 0 394.518 5.722 40 0 GKABRO CCOC(=O)c1oc2ccc(Cl)cc2c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000015017527 221326951 /nfs/dbraw/zinc/32/69/51/221326951.db2.gz MALTVNOLSRYYCS-UHFFFAOYSA-N 1 0 396.874 5.077 40 0 GKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccc2)cc1 ZINC000016480082 221363309 /nfs/dbraw/zinc/36/33/09/221363309.db2.gz WWWKEGITOIUUJJ-UHFFFAOYSA-N 1 0 387.910 6.362 40 0 GKABRO Fc1ccc(CC[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000016480636 221363628 /nfs/dbraw/zinc/36/36/28/221363628.db2.gz VGCHBTSQBZZXPK-UHFFFAOYSA-N 1 0 385.482 5.890 40 0 GKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1cccs1 ZINC000016526011 221364901 /nfs/dbraw/zinc/36/49/01/221364901.db2.gz VDJMEILJHMVNHY-UHFFFAOYSA-N 1 0 393.939 6.424 40 0 GKABRO Clc1ccc(COc2cccc(C[NH2+]CCc3c[nH]c4ccccc34)c2)cc1 ZINC000016525352 221365164 /nfs/dbraw/zinc/36/51/64/221365164.db2.gz JLZQWUOCFYWESP-UHFFFAOYSA-N 1 0 390.914 5.733 40 0 GKABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccnc(N(C)C)c1 ZINC000257272708 209064888 /nfs/dbraw/zinc/06/48/88/209064888.db2.gz NDMMPSVORZWQOZ-HSZRJFAPSA-N 1 0 387.527 5.160 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022076561 533442104 /nfs/dbraw/zinc/44/21/04/533442104.db2.gz RXJHWJVVFQJHSU-ZUOKHONESA-N 1 0 376.283 5.465 40 0 GKABRO CCSc1ccc2c(c1)N(CCCN1CC[NH+](C)CC1)c1ccccc1S2 ZINC000022446674 136202794 /nfs/dbraw/zinc/20/27/94/136202794.db2.gz XCTYLCDETUVOIP-UHFFFAOYSA-N 1 0 399.629 5.039 40 0 world GKABRO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072348827 222235429 /nfs/dbraw/zinc/23/54/29/222235429.db2.gz UFUMPASZULEAEZ-HXUWFJFHSA-N 1 0 377.919 5.100 40 0 GKABRO Clc1ccccc1Cc1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348957 222235541 /nfs/dbraw/zinc/23/55/41/222235541.db2.gz SUUBIGGYMZAJGU-IBGZPJMESA-N 1 0 377.919 5.100 40 0 GKABRO FC(F)(F)c1cccc(-c2cccc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350087 222236341 /nfs/dbraw/zinc/23/63/41/222236341.db2.gz YKSKVERHMOVARM-KRWDZBQOSA-N 1 0 390.449 5.126 40 0 GKABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)s1 ZINC000096038174 222374522 /nfs/dbraw/zinc/37/45/22/222374522.db2.gz LIBPTNJMCAITQI-UHFFFAOYSA-N 1 0 388.540 5.146 40 0 GKABRO O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408608978 534747215 /nfs/dbraw/zinc/74/72/15/534747215.db2.gz NHRXLNVMXYBAAI-XMMPIXPASA-N 1 0 396.534 5.017 40 0 GKABRO O=C(c1ccccc1-c1ccccc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408607299 534747257 /nfs/dbraw/zinc/74/72/57/534747257.db2.gz KRKCDMIYJCVXBS-UHFFFAOYSA-N 1 0 396.534 5.017 40 0 GKABRO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000408724364 528404205 /nfs/dbraw/zinc/40/42/05/528404205.db2.gz DAHTXCSGRAKYAS-GHRIWEEISA-N 1 0 380.941 5.236 40 0 GKABRO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCC4)C=C3C)nc2c1 ZINC000077262127 560046754 /nfs/dbraw/zinc/04/67/54/560046754.db2.gz QYROSRSYBGYZGK-WFXMLNOXSA-N 1 0 381.564 5.111 40 0 biogenic,in-vitro GKABRO C[NH+](C)Cc1cc(C(F)(F)F)ccc1C(O)(c1ccccc1)c1ccccc1 ZINC000003954242 560191815 /nfs/dbraw/zinc/19/18/15/560191815.db2.gz ZIJYGZOMZWSARO-UHFFFAOYSA-N 1 0 385.429 5.051 40 0 in-vitro GKABRO FC(F)(F)c1ccc(C[N@@H+]2CCC[C@]23CCCN(Cc2ccccc2)C3)cc1 ZINC000096214642 570219572 /nfs/dbraw/zinc/21/95/72/570219572.db2.gz URTYMLSTBDTOAG-QFIPXVFZSA-N 1 0 388.477 5.336 40 0 GKABRO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000005163798 570245867 /nfs/dbraw/zinc/24/58/67/570245867.db2.gz IFBKQBARPJGXJC-OYDLWJJNSA-N 1 0 383.507 5.093 40 0 GKABRO O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020491199 570263105 /nfs/dbraw/zinc/26/31/05/570263105.db2.gz RTXHIEOWWNRSIN-SANMLTNESA-N 1 0 396.534 5.052 40 0 GKABRO CC(C)c1ccc(CCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000216396639 570300884 /nfs/dbraw/zinc/30/08/84/570300884.db2.gz VOQMLQQJFUCQMB-UHFFFAOYSA-N 1 0 378.560 5.014 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc(Cl)cc1 ZINC000022074425 570304826 /nfs/dbraw/zinc/30/48/26/570304826.db2.gz XTPFXXRPDHORBH-UHFFFAOYSA-N 1 0 399.893 5.399 40 0 GKABRO Clc1ccc(COc2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000022073773 570304836 /nfs/dbraw/zinc/30/48/36/570304836.db2.gz AYNFFYXJHSZUIH-UHFFFAOYSA-N 1 0 381.947 5.833 40 0 GKABRO c1ccc(COc2ccc3ccccc3c2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022073710 570304999 /nfs/dbraw/zinc/30/49/99/570304999.db2.gz XZQAKGFSLVZURH-UHFFFAOYSA-N 1 0 397.562 6.477 40 0 GKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000022076513 570305329 /nfs/dbraw/zinc/30/53/29/570305329.db2.gz GBTCXEOXWZAWEF-UHFFFAOYSA-N 1 0 376.283 5.594 40 0 GKABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000216840742 570306535 /nfs/dbraw/zinc/30/65/35/570306535.db2.gz MZTBXAWZXMFYAO-CQSZACIVSA-N 1 0 385.305 5.632 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C1 ZINC000216840823 570306585 /nfs/dbraw/zinc/30/65/85/570306585.db2.gz KBARSGRWXKXHBJ-CQSZACIVSA-N 1 0 385.305 5.489 40 0 GKABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215643 570313724 /nfs/dbraw/zinc/31/37/24/570313724.db2.gz XNRDLSGYPAPHIK-FQEVSTJZSA-N 1 0 387.568 5.701 40 0 GKABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214525 570314434 /nfs/dbraw/zinc/31/44/34/570314434.db2.gz YOMSQCMNJGGLAC-HXUWFJFHSA-N 1 0 381.520 5.180 40 0 GKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214702 570314749 /nfs/dbraw/zinc/31/47/49/570314749.db2.gz ARELWYLBFCFEOS-LJQANCHMSA-N 1 0 375.557 5.560 40 0 GKABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214608 570314788 /nfs/dbraw/zinc/31/47/88/570314788.db2.gz ADZULHKLTJBYAS-HXUWFJFHSA-N 1 0 381.520 5.180 40 0 GKABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214847 570314912 /nfs/dbraw/zinc/31/49/12/570314912.db2.gz KTCFOJUQAIFQAA-NRFANRHFSA-N 1 0 395.547 5.569 40 0 GKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214883 570315124 /nfs/dbraw/zinc/31/51/24/570315124.db2.gz DAIMBFUSOCQCIY-IBGZPJMESA-N 1 0 375.557 5.559 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CCCC)cn1 ZINC000072215002 570315407 /nfs/dbraw/zinc/31/54/07/570315407.db2.gz JOHJGGCBHUFYAA-HXUWFJFHSA-N 1 0 389.584 5.950 40 0 GKABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215581 570315699 /nfs/dbraw/zinc/31/56/99/570315699.db2.gz UORLYTLUZJUJOS-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215261 570315762 /nfs/dbraw/zinc/31/57/62/570315762.db2.gz BBPQBFQFULUFJU-PKOBYXMFSA-N 1 0 375.557 5.559 40 0 GKABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C1CC1 ZINC000072215312 570315795 /nfs/dbraw/zinc/31/57/95/570315795.db2.gz MDBSQJGOYQAYJC-OAQYLSRUSA-N 1 0 393.531 5.323 40 0 GKABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215238 570315878 /nfs/dbraw/zinc/31/58/78/570315878.db2.gz HEFNSROWNHATNS-HKUYNNGSSA-N 1 0 375.557 5.559 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072215269 570315886 /nfs/dbraw/zinc/31/58/86/570315886.db2.gz USZZUPMZZKFOGZ-UYAOXDASSA-N 1 0 389.584 5.805 40 0 GKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215822 570316475 /nfs/dbraw/zinc/31/64/75/570316475.db2.gz UTWUDCFQKIDDQE-OAQYLSRUSA-N 1 0 395.547 6.090 40 0 GKABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215758 570316560 /nfs/dbraw/zinc/31/65/60/570316560.db2.gz FTEKJTVHUMHHDV-HXUWFJFHSA-N 1 0 387.568 5.703 40 0 GKABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215823 570316616 /nfs/dbraw/zinc/31/66/16/570316616.db2.gz UTWUDCFQKIDDQE-NRFANRHFSA-N 1 0 395.547 6.090 40 0 GKABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215864 570316909 /nfs/dbraw/zinc/31/69/09/570316909.db2.gz QCTSQUDMJQLSRC-FQEVSTJZSA-N 1 0 381.520 5.702 40 0 GKABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215880 570317101 /nfs/dbraw/zinc/31/71/01/570317101.db2.gz REDUNEXCKNNHNS-OAQYLSRUSA-N 1 0 395.547 6.092 40 0 GKABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215878 570317149 /nfs/dbraw/zinc/31/71/49/570317149.db2.gz AUYBUVJPXHLMDR-HXUWFJFHSA-N 1 0 381.520 5.702 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)C1 ZINC000022516202 570319340 /nfs/dbraw/zinc/31/93/40/570319340.db2.gz XTPGQMBMLITVMU-CQSZACIVSA-N 1 0 377.315 5.478 40 0 GKABRO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc1 ZINC000585169577 570320042 /nfs/dbraw/zinc/32/00/42/570320042.db2.gz HLLSWNQLBVPWBK-FQEVSTJZSA-N 1 0 395.934 5.126 40 0 GKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1cccs1 ZINC000022076355 570320580 /nfs/dbraw/zinc/32/05/80/570320580.db2.gz SSDJANBYWBVFCB-UHFFFAOYSA-N 1 0 385.504 5.197 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H](O)c1ccccc1 ZINC000022076518 570320747 /nfs/dbraw/zinc/32/07/47/570320747.db2.gz MHMDAILTNWMDLK-XCLFUZPHSA-N 1 0 376.283 5.465 40 0 GKABRO C[C@H]([NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H](O)c1ccccc1 ZINC000022076517 570320757 /nfs/dbraw/zinc/32/07/57/570320757.db2.gz MHMDAILTNWMDLK-RNODOKPDSA-N 1 0 376.283 5.465 40 0 GKABRO CC[NH+](CC)CCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022075037 570321237 /nfs/dbraw/zinc/32/12/37/570321237.db2.gz UVFXHANJMARLNQ-UHFFFAOYSA-N 1 0 381.347 5.004 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934755 570322516 /nfs/dbraw/zinc/32/25/16/570322516.db2.gz ALHFAOPHNIFHSO-QUCCMNQESA-N 1 0 384.951 5.046 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)c(C)c1 ZINC000219239094 570350398 /nfs/dbraw/zinc/35/03/98/570350398.db2.gz GMPMMWYXWIIURO-KOSHJBKYSA-N 1 0 378.560 5.416 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)c(C)c1 ZINC000219239035 570350477 /nfs/dbraw/zinc/35/04/77/570350477.db2.gz GMPMMWYXWIIURO-HOYKHHGWSA-N 1 0 378.560 5.416 40 0 GKABRO CCCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004109024 570357675 /nfs/dbraw/zinc/35/76/75/570357675.db2.gz UJRIBUDZMNUBLS-NSXWQBIQSA-N 1 0 383.532 5.037 40 0 GKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@H+]2C[C@@H](C)CC[C@@H]12 ZINC000118917271 570367655 /nfs/dbraw/zinc/36/76/55/570367655.db2.gz JVKYZPBMZPJNAJ-INULWVDGSA-N 1 0 397.647 5.655 40 0 GKABRO C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC/C(=C/[NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118929842 570368783 /nfs/dbraw/zinc/36/87/83/570368783.db2.gz WPOIDUGUNBOEGE-CLNNFNBPSA-N 1 0 385.636 6.150 40 0 GKABRO Cc1ccc([C@@](O)(c2ccccc2)[C@H]2[C@H](c3ccccc3)[N@@H+]2C2CCCCC2)cc1 ZINC000004742961 570401319 /nfs/dbraw/zinc/40/13/19/570401319.db2.gz HRBNJDCFKNWDAL-ALPTWIEUSA-N 1 0 397.562 5.989 40 0 GKABRO Cc1ccc(C(=O)[C@H]([C@H](c2cccs2)[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000019372148 570406438 /nfs/dbraw/zinc/40/64/38/570406438.db2.gz YWCPBUMAUPBXFT-GOTSBHOMSA-N 1 0 396.600 5.321 40 0 GKABRO CCC[C@@]1(O)C[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000004844925 570411792 /nfs/dbraw/zinc/41/17/92/570411792.db2.gz JNMBOTCAWAEZQM-FXLVCCLPSA-N 1 0 378.343 5.936 40 0 GKABRO C[N@@H+]1C[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000004867211 570413965 /nfs/dbraw/zinc/41/39/65/570413965.db2.gz JABONFOKZVPFLG-JWQCQUIFSA-N 1 0 379.503 5.572 40 0 GKABRO O=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000004883225 570415455 /nfs/dbraw/zinc/41/54/55/570415455.db2.gz GLUFPNJPUCWBFC-MQVJKMGUSA-N 1 0 389.952 5.109 40 0 GKABRO CCOc1ccc([C@](O)(CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)Cc2ccccc2)cc1 ZINC000004934838 570418632 /nfs/dbraw/zinc/41/86/32/570418632.db2.gz BBZDVRBAVMFHAA-KJOQGJGQSA-N 1 0 393.571 5.028 40 0 GKABRO CC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004866077 570421465 /nfs/dbraw/zinc/42/14/65/570421465.db2.gz HKJVXAYMDUGIOW-AAOIWRJWSA-N 1 0 387.523 5.385 40 0 GKABRO CCC(=O)OC1(c2ccccc2)CC[NH+](C/C=C\c2cccc3ccccc23)CC1 ZINC000005046543 570425889 /nfs/dbraw/zinc/42/58/89/570425889.db2.gz FQWCYYRQVANHLG-LCYFTJDESA-N 1 0 399.534 5.798 40 0 GKABRO c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000005105037 570429742 /nfs/dbraw/zinc/42/97/42/570429742.db2.gz PIWBBRRXNVVFGQ-SVBPBHIXSA-N 1 0 395.550 5.943 40 0 GKABRO C[NH+](C)[C@@]1(Cc2ccccc2)c2ccccc2-c2ccc(Br)cc21 ZINC000005201466 570431236 /nfs/dbraw/zinc/43/12/36/570431236.db2.gz YATDANTVIIBGJV-QFIPXVFZSA-N 1 0 378.313 5.477 40 0 GKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222944220 570432302 /nfs/dbraw/zinc/43/23/02/570432302.db2.gz JNKDLPCQSJFYQV-LJQANCHMSA-N 1 0 376.544 5.042 40 0 GKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222963287 570433517 /nfs/dbraw/zinc/43/35/17/570433517.db2.gz ONEQJTNLGGYIES-HXUWFJFHSA-N 1 0 390.571 5.288 40 0 GKABRO CCCC[C@H](CC)C[C@@H](CC)C[N@@H+](CCO)C[C@@H](CC)C[C@@H](CC)CCCC ZINC000005298610 570433607 /nfs/dbraw/zinc/43/36/07/570433607.db2.gz BZWSJGSYMPLHGS-ASDGIDEWSA-N 1 0 397.732 7.546 40 0 GKABRO Cc1ccc(C[C@]2(C)[NH2+][C@@H](c3ccccc3)C(C)=C[C@H]2[C@H](O)CC(C)C)nc1 ZINC000005389730 570437301 /nfs/dbraw/zinc/43/73/01/570437301.db2.gz SNEWFNDFZYCYJL-LIONHTAISA-N 1 0 378.560 5.005 40 0 GKABRO CC(C)CCCCCC[NH+](CCCCCCC(C)C)CCCCCCC(C)C ZINC000005440859 570439814 /nfs/dbraw/zinc/43/98/14/570439814.db2.gz YGLJGOMFUHQSBN-UHFFFAOYSA-N 1 0 395.760 9.108 40 0 GKABRO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039762910 570446002 /nfs/dbraw/zinc/44/60/02/570446002.db2.gz FQTWSTNHMKQKQA-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039768102 570446515 /nfs/dbraw/zinc/44/65/15/570446515.db2.gz JZHXFUGTCSMAIK-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039748154 570447003 /nfs/dbraw/zinc/44/70/03/570447003.db2.gz WVNGIVULVLSUOM-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000039743326 570447079 /nfs/dbraw/zinc/44/70/79/570447079.db2.gz CSTBSHCWUABJCW-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000039757386 570448775 /nfs/dbraw/zinc/44/87/75/570448775.db2.gz LWWAMEFWFWOXCC-UHFFFAOYSA-N 1 0 384.523 5.513 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000039758015 570449353 /nfs/dbraw/zinc/44/93/53/570449353.db2.gz JLSPUZMRUSKPBD-HXUWFJFHSA-N 1 0 392.587 5.382 40 0 GKABRO COc1cc2c(cc1OC)[C@H]1CC(c3ccccc3)=C(c3ccccc3)C[N@@H+]1CC2 ZINC000005639719 570449947 /nfs/dbraw/zinc/44/99/47/570449947.db2.gz KEENRRJPMVGIPA-RUZDIDTESA-N 1 0 397.518 5.618 40 0 GKABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028221044 570452645 /nfs/dbraw/zinc/45/26/45/570452645.db2.gz SLYVGIMHKHSJII-MRXNPFEDSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220694 570452791 /nfs/dbraw/zinc/45/27/91/570452791.db2.gz PPMNAZBZKZOOGX-INIZCTEOSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2C)C3)cc1 ZINC000035289487 570454551 /nfs/dbraw/zinc/45/45/51/570454551.db2.gz AOLVMMRWONOORS-FRIKZZABSA-N 1 0 377.532 5.011 40 0 GKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1ccc2cc3c(nc2c1)CCCC3 ZINC000005837640 570458777 /nfs/dbraw/zinc/45/87/77/570458777.db2.gz PQQLDISMINILFS-RUZDIDTESA-N 1 0 382.592 5.829 40 0 GKABRO CC(C)c1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 ZINC000226308570 570459420 /nfs/dbraw/zinc/45/94/20/570459420.db2.gz GPLCJLQDKXPPEH-UHFFFAOYSA-N 1 0 381.858 5.747 40 0 GKABRO CC[C@@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000005923263 570462103 /nfs/dbraw/zinc/46/21/03/570462103.db2.gz VFFBJZCCXOYRNN-UIOOFZCWSA-N 1 0 389.539 5.057 40 0 GKABRO CC(C)[N@H+](CCOc1ccccc1Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000005962890 570463508 /nfs/dbraw/zinc/46/35/08/570463508.db2.gz JYNROYWSNGVCPT-VWLOTQADSA-N 1 0 389.539 5.100 40 0 GKABRO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000223458793 570467483 /nfs/dbraw/zinc/46/74/83/570467483.db2.gz MLBFKTYYLFBKAT-DYESRHJHSA-N 1 0 378.560 5.335 40 0 GKABRO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1C ZINC000223470180 570467876 /nfs/dbraw/zinc/46/78/76/570467876.db2.gz KYUBAKONZUWLSW-IBGZPJMESA-N 1 0 398.978 5.355 40 0 GKABRO O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224095962 570498375 /nfs/dbraw/zinc/49/83/75/570498375.db2.gz IDHYQQYTUCMTHG-UHFFFAOYSA-N 1 0 384.479 5.824 40 0 GKABRO O[C@H](c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000001567976 570500782 /nfs/dbraw/zinc/50/07/82/570500782.db2.gz ALUZCFMOHFZLKV-WIYYLYMNSA-N 1 0 387.310 5.384 40 0 GKABRO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030941340 570501312 /nfs/dbraw/zinc/50/13/12/570501312.db2.gz KHFIPQGJYKPQEJ-NRFANRHFSA-N 1 0 386.495 5.330 40 0 GKABRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030938662 570501391 /nfs/dbraw/zinc/50/13/91/570501391.db2.gz DGMJHJREIJGBQG-CQSZACIVSA-N 1 0 397.733 5.498 40 0 GKABRO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000007261248 570502219 /nfs/dbraw/zinc/50/22/19/570502219.db2.gz XAWXGIJHDZKCEB-UHFFFAOYSA-N 1 0 396.358 6.251 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccccc1Cl ZINC000007522412 570506674 /nfs/dbraw/zinc/50/66/74/570506674.db2.gz XHOCKHAJTZFJGY-UHFFFAOYSA-N 1 0 387.951 6.130 40 0 GKABRO Clc1cc(Cl)cc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)c1 ZINC000007524674 570507160 /nfs/dbraw/zinc/50/71/60/570507160.db2.gz VELCQTUTNIXQCN-UHFFFAOYSA-N 1 0 376.327 6.312 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)C1 ZINC000224335238 570509735 /nfs/dbraw/zinc/50/97/35/570509735.db2.gz ZBZJMWLCGFYQNB-GOSISDBHSA-N 1 0 384.523 5.423 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)C1 ZINC000224334102 570509764 /nfs/dbraw/zinc/50/97/64/570509764.db2.gz RATSHPHQVCCXEN-GOSISDBHSA-N 1 0 398.506 6.070 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)cc1 ZINC000224531119 570516700 /nfs/dbraw/zinc/51/67/00/570516700.db2.gz OPDDRBOANPNBTC-UHFFFAOYSA-N 1 0 398.506 5.745 40 0 GKABRO CCOCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008253168 570525551 /nfs/dbraw/zinc/52/55/51/570525551.db2.gz SUXUTVQUBSOFCH-UHFFFAOYSA-N 1 0 398.330 5.097 40 0 GKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1 ZINC000008254610 570526121 /nfs/dbraw/zinc/52/61/21/570526121.db2.gz CXYFHAPFPBAQAZ-UHFFFAOYSA-N 1 0 391.555 5.579 40 0 GKABRO CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000008254698 570526259 /nfs/dbraw/zinc/52/62/59/570526259.db2.gz FRPIKFRUWWLJTG-UHFFFAOYSA-N 1 0 395.930 5.650 40 0 GKABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000008254087 570526265 /nfs/dbraw/zinc/52/62/65/570526265.db2.gz VURUSXLFRRMPAZ-SFHVURJKSA-N 1 0 395.930 6.169 40 0 GKABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008326659 570528302 /nfs/dbraw/zinc/52/83/02/570528302.db2.gz XMWDYHFMGQWQGH-AWEZNQCLSA-N 1 0 382.331 5.859 40 0 GKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccccn1 ZINC000008436599 570531497 /nfs/dbraw/zinc/53/14/97/570531497.db2.gz CCFGRVHOTMYLBX-UHFFFAOYSA-N 1 0 388.898 5.757 40 0 GKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccnc2)cc1 ZINC000008436600 570531582 /nfs/dbraw/zinc/53/15/82/570531582.db2.gz GRKRPAFDTPGUQK-UHFFFAOYSA-N 1 0 388.898 5.757 40 0 GKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000008472172 570532389 /nfs/dbraw/zinc/53/23/89/570532389.db2.gz MTNLAKOHFRNVHD-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000008471760 570532420 /nfs/dbraw/zinc/53/24/20/570532420.db2.gz YKLHCATWPMSJRF-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccccc1Cl ZINC000008495593 570532804 /nfs/dbraw/zinc/53/28/04/570532804.db2.gz CUPQVPIRZAXNCY-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000008535320 570533241 /nfs/dbraw/zinc/53/32/41/570533241.db2.gz DCJLPZYXAAQPHT-MRXNPFEDSA-N 1 0 399.893 5.918 40 0 GKABRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000008535309 570533265 /nfs/dbraw/zinc/53/32/65/570533265.db2.gz PLFUDUQTXNLXOY-MRXNPFEDSA-N 1 0 386.322 6.423 40 0 GKABRO C[C@]12CC3CC([NH2+]Cc4cccc(OCc5ccc(F)cc5)c4)(C1)C[C@@](C)(C3)C2 ZINC000008534541 570533390 /nfs/dbraw/zinc/53/33/90/570533390.db2.gz GEBQGFHQAGRZNJ-MVJOHORYSA-N 1 0 393.546 6.243 40 0 GKABRO COc1cc(C)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C(C)C ZINC000224854203 570534090 /nfs/dbraw/zinc/53/40/90/570534090.db2.gz RLNDDRUUUBHKLD-UHFFFAOYSA-N 1 0 394.559 5.043 40 0 GKABRO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000035818665 570550395 /nfs/dbraw/zinc/55/03/95/570550395.db2.gz YZYSFBHGMVZEQL-UHFFFAOYSA-N 1 0 398.550 5.702 40 0 GKABRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010331114 570569422 /nfs/dbraw/zinc/56/94/22/570569422.db2.gz SEQKBYFLCHVLEO-UHFFFAOYSA-N 1 0 397.733 5.885 40 0 GKABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534005 570584876 /nfs/dbraw/zinc/58/48/76/570584876.db2.gz AYZOARTUYMFBQA-UHFFFAOYSA-N 1 0 392.543 5.002 40 0 GKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834389 570585777 /nfs/dbraw/zinc/58/57/77/570585777.db2.gz MTCRHBKOMXRTHQ-NRFANRHFSA-N 1 0 386.495 5.330 40 0 GKABRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038835004 570586608 /nfs/dbraw/zinc/58/66/08/570586608.db2.gz VSGALDBOFXHUQC-AWEZNQCLSA-N 1 0 397.733 5.498 40 0 GKABRO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038835446 570586621 /nfs/dbraw/zinc/58/66/21/570586621.db2.gz BVGPTHPGVOOCKK-AWEZNQCLSA-N 1 0 397.733 5.498 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000038835044 570586692 /nfs/dbraw/zinc/58/66/92/570586692.db2.gz HFHSXKGEYHHBIQ-CQSZACIVSA-N 1 0 377.315 5.478 40 0 GKABRO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849499 570587682 /nfs/dbraw/zinc/58/76/82/570587682.db2.gz VSTFJVAVHLSXFE-INIZCTEOSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038849494 570587792 /nfs/dbraw/zinc/58/77/92/570587792.db2.gz SPNBKJVYRBDDQT-MRXNPFEDSA-N 1 0 377.315 5.153 40 0 GKABRO CC[NH+](CC)CCCN(C(=O)C1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000004188877 570621790 /nfs/dbraw/zinc/62/17/90/570621790.db2.gz ZYJRSRKWJYIUCW-UHFFFAOYSA-N 1 0 399.604 5.455 40 0 GKABRO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903943 570632140 /nfs/dbraw/zinc/63/21/40/570632140.db2.gz AJHVVNNCJMTXJI-OAQYLSRUSA-N 1 0 392.930 5.022 40 0 GKABRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000225907655 570632681 /nfs/dbraw/zinc/63/26/81/570632681.db2.gz JTSRQCNOSVMAIE-OAHLLOKOSA-N 1 0 395.305 5.008 40 0 GKABRO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)CCCC ZINC000004712852 570636057 /nfs/dbraw/zinc/63/60/57/570636057.db2.gz WEOCXFUEIUWOBH-LGTXBLIGSA-N 1 0 393.615 6.922 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1C ZINC000044856353 570636456 /nfs/dbraw/zinc/63/64/56/570636456.db2.gz YOMGSLWUGQMUMM-GOSISDBHSA-N 1 0 384.951 5.046 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1C ZINC000044856354 570636547 /nfs/dbraw/zinc/63/65/47/570636547.db2.gz YOMGSLWUGQMUMM-SFHVURJKSA-N 1 0 384.951 5.046 40 0 GKABRO CCCCC[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)CCCC ZINC000004712855 570636608 /nfs/dbraw/zinc/63/66/08/570636608.db2.gz WEOCXFUEIUWOBH-GWMMUDDPSA-N 1 0 393.615 6.922 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C ZINC000044856358 570636623 /nfs/dbraw/zinc/63/66/23/570636623.db2.gz JVBKGBIDFGWVIM-SFHVURJKSA-N 1 0 384.951 5.046 40 0 GKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C)c(C)c1 ZINC000044856560 570637131 /nfs/dbraw/zinc/63/71/31/570637131.db2.gz ZXOVRADFSPNATB-XMMPIXPASA-N 1 0 378.560 5.561 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856512 570637154 /nfs/dbraw/zinc/63/71/54/570637154.db2.gz UTADNMUXXREGFP-HSZRJFAPSA-N 1 0 398.978 5.436 40 0 GKABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1C ZINC000044856615 570637193 /nfs/dbraw/zinc/63/71/93/570637193.db2.gz GDRCUYJHJXRGMW-OFNKIYASSA-N 1 0 398.978 5.436 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(C)cc1C ZINC000044856664 570637225 /nfs/dbraw/zinc/63/72/25/570637225.db2.gz UMKLDBQZVYNRNK-XMMPIXPASA-N 1 0 378.560 5.091 40 0 GKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856506 570637240 /nfs/dbraw/zinc/63/72/40/570637240.db2.gz YJPQLEGOJQLXCF-XMMPIXPASA-N 1 0 378.560 5.091 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(C)cc1C ZINC000044856671 570637270 /nfs/dbraw/zinc/63/72/70/570637270.db2.gz BNCDIWDPBKACCL-QHCPKHFHSA-N 1 0 398.978 5.436 40 0 GKABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2cccc(C)c2)C3)cc1 ZINC000004857237 570638388 /nfs/dbraw/zinc/63/83/88/570638388.db2.gz VMYTVQUHBFQKHZ-NOTZXAQLSA-N 1 0 393.600 5.176 40 0 GKABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccc(C)cc2)C3)cc1 ZINC000004857242 570638405 /nfs/dbraw/zinc/63/84/05/570638405.db2.gz NNWDZGAUMIUURX-NOTZXAQLSA-N 1 0 393.600 5.176 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1 ZINC000044917315 570643311 /nfs/dbraw/zinc/64/33/11/570643311.db2.gz GDHHOXGYJFKXRS-IBGZPJMESA-N 1 0 392.543 5.492 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)c1 ZINC000044936825 570644237 /nfs/dbraw/zinc/64/42/37/570644237.db2.gz LPTIOCAPCNPMSX-DEOSSOPVSA-N 1 0 378.560 5.111 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(C)cc1 ZINC000044935757 570644406 /nfs/dbraw/zinc/64/44/06/570644406.db2.gz POMXIKTWDPZVMH-QFIPXVFZSA-N 1 0 384.951 5.128 40 0 GKABRO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000044936841 570644470 /nfs/dbraw/zinc/64/44/70/570644470.db2.gz UHORFVJARKYDLK-QHCPKHFHSA-N 1 0 398.978 5.456 40 0 GKABRO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044938616 570644822 /nfs/dbraw/zinc/64/48/22/570644822.db2.gz XBGKIHUIDZKING-UHFFFAOYSA-N 1 0 388.964 5.303 40 0 GKABRO COc1ccccc1[C@@]1(CC[NH2+][C@@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 ZINC000005390647 570661142 /nfs/dbraw/zinc/66/11/42/570661142.db2.gz GGDMXKFAUIDFMO-OPXMRZJTSA-N 1 0 381.560 5.509 40 0 GKABRO CCCCc1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008717221 570681521 /nfs/dbraw/zinc/68/15/21/570681521.db2.gz SEKNDIOUFCEERD-DFBJGRDBSA-N 1 0 380.576 5.992 40 0 GKABRO O=c1[nH]cc(-c2ccc(Cl)cc2)cc1C[N@H+](Cc1ccccn1)C1CCCC1 ZINC000012670697 570697414 /nfs/dbraw/zinc/69/74/14/570697414.db2.gz MQWQMPOGCSRPEW-UHFFFAOYSA-N 1 0 393.918 5.035 40 0 GKABRO c1nc(Nc2cccc(C[C@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)n2)sc1-c1ccccc1 ZINC000585263001 570715097 /nfs/dbraw/zinc/71/50/97/570715097.db2.gz HGFSZEPUCVGVIT-QWFCFKBJSA-N 1 0 390.556 5.127 40 0 GKABRO C[NH2+]C1CCC(Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)CC1 ZINC000585262942 570715475 /nfs/dbraw/zinc/71/54/75/570715475.db2.gz QGOLWALPUWTVHP-UHFFFAOYSA-N 1 0 396.535 5.409 40 0 GKABRO CC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101637222 570716440 /nfs/dbraw/zinc/71/64/40/570716440.db2.gz JEKQPZGODPLINH-OJJQZRKESA-N 1 0 375.487 5.515 40 0 GKABRO COc1c(Cl)cc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000006627291 570747709 /nfs/dbraw/zinc/74/77/09/570747709.db2.gz QEQNXJLXONOZQR-UHFFFAOYSA-N 1 0 393.314 5.240 40 0 GKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000006949726 570751318 /nfs/dbraw/zinc/75/13/18/570751318.db2.gz MDSVBQHMNNETLB-UHFFFAOYSA-N 1 0 388.511 5.360 40 0 GKABRO CCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000007262304 570757374 /nfs/dbraw/zinc/75/73/74/570757374.db2.gz BUWBQXIEOLQPAU-UHFFFAOYSA-N 1 0 398.728 5.190 40 0 GKABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)o2)cc1 ZINC000007540804 570760366 /nfs/dbraw/zinc/76/03/66/570760366.db2.gz GNTFXMRQTVULBW-RISBCKLPSA-N 1 0 379.544 5.839 40 0 GKABRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1Cl ZINC000007539544 570760594 /nfs/dbraw/zinc/76/05/94/570760594.db2.gz BGJMJEBVQZXFIU-LJQCHSNASA-N 1 0 399.962 6.303 40 0 GKABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008253440 570765824 /nfs/dbraw/zinc/76/58/24/570765824.db2.gz AXQYWMUYNGJHAM-BUBBNXEVSA-N 1 0 382.375 6.087 40 0 GKABRO C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000008534891 570769847 /nfs/dbraw/zinc/76/98/47/570769847.db2.gz JGLWSNYIZIYNTL-DKERFCRFSA-N 1 0 393.546 6.099 40 0 GKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000008535306 570769924 /nfs/dbraw/zinc/76/99/24/570769924.db2.gz NMOHMAGAQLEEDG-OAHLLOKOSA-N 1 0 387.932 5.840 40 0 GKABRO COc1ccc(Br)cc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008534851 570770044 /nfs/dbraw/zinc/77/00/44/570770044.db2.gz PRPONBWMBNBGKN-XXWNAHEMSA-N 1 0 378.354 5.152 40 0 GKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013668941 570770049 /nfs/dbraw/zinc/77/00/49/570770049.db2.gz CVGZYELWLCXMEL-IBGZPJMESA-N 1 0 378.560 5.461 40 0 GKABRO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000009062621 570773734 /nfs/dbraw/zinc/77/37/34/570773734.db2.gz FELIMUXWTAYXJD-SFHVURJKSA-N 1 0 384.951 5.046 40 0 GKABRO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010338753 570789302 /nfs/dbraw/zinc/78/93/02/570789302.db2.gz JBOXPROXDYQUFV-UHFFFAOYSA-N 1 0 384.523 5.192 40 0 GKABRO Clc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000013562964 570851845 /nfs/dbraw/zinc/85/18/45/570851845.db2.gz JONOYXATECIXQY-ILBGXUMGSA-N 1 0 390.958 5.488 40 0 GKABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(C(C)C)cc2)cc1OC ZINC000013989911 570868338 /nfs/dbraw/zinc/86/83/38/570868338.db2.gz RHBHRLPVIWYIOI-UHFFFAOYSA-N 1 0 390.527 5.425 40 0 GKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC ZINC000016688378 570914375 /nfs/dbraw/zinc/91/43/75/570914375.db2.gz KAHGXUWRPBWACC-LRYXAPPNSA-N 1 0 391.983 5.832 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C ZINC000044856303 570914557 /nfs/dbraw/zinc/91/45/57/570914557.db2.gz HXMIHKHDUSTAHV-NQIIRXRSSA-N 1 0 384.951 5.046 40 0 GKABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000017077513 570916952 /nfs/dbraw/zinc/91/69/52/570916952.db2.gz RAUKGGVLEDOKAI-UHFFFAOYSA-N 1 0 378.903 5.731 40 0 GKABRO O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000017079445 570918054 /nfs/dbraw/zinc/91/80/54/570918054.db2.gz QEDALQVGWHWTBH-YRNVUSSQSA-N 1 0 389.326 5.631 40 0 GKABRO CC/C(=C(/c1ccc(OCC[NH+](C)C)cc1)c1cccc(O)c1)c1ccccc1 ZINC000001585847 570920977 /nfs/dbraw/zinc/92/09/77/570920977.db2.gz ZQZFYGIXNQKOAV-OCEACIFDSA-N 1 0 387.523 5.702 40 0 endogenous,world GKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccccc1C ZINC000016362782 570923540 /nfs/dbraw/zinc/92/35/40/570923540.db2.gz QLHHNWGFKNGHFT-UHFFFAOYSA-N 1 0 379.475 5.054 40 0 GKABRO c1ccc(CN[C@@H](c2ccccc2)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000019365878 570925308 /nfs/dbraw/zinc/92/53/08/570925308.db2.gz QEUWNGJNPLRKLR-NSOVKSMOSA-N 1 0 392.546 6.049 40 0 GKABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]C2CCCCCC2)c1 ZINC000016449945 570925573 /nfs/dbraw/zinc/92/55/73/570925573.db2.gz VIVBOVRCXAMBMT-UHFFFAOYSA-N 1 0 378.343 6.385 40 0 GKABRO Clc1ccccc1C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000016480651 570925960 /nfs/dbraw/zinc/92/59/60/570925960.db2.gz GLAHVYLMVGTPCJ-UHFFFAOYSA-N 1 0 387.910 6.362 40 0 GKABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000020241887 570945079 /nfs/dbraw/zinc/94/50/79/570945079.db2.gz NGGRUQTZYBNVKA-UHFFFAOYSA-N 1 0 398.550 5.702 40 0 GKABRO Fc1cc(C[NH+](Cc2ccccc2)Cc2ccccc2)ccc1Br ZINC000199826224 570951560 /nfs/dbraw/zinc/95/15/60/570951560.db2.gz WLYCNYYOVPCOPY-UHFFFAOYSA-N 1 0 384.292 5.791 40 0 GKABRO c1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cs1 ZINC000019346367 570978159 /nfs/dbraw/zinc/97/81/59/570978159.db2.gz BANPSUIWARCLKP-SFHVURJKSA-N 1 0 382.485 5.249 40 0 GKABRO CCN(CC)CC[NH2+][C@@H](Cc1ccccc1)c1c(OC)ccc2ccccc21 ZINC000019365922 570980097 /nfs/dbraw/zinc/98/00/97/570980097.db2.gz VXBYQZLOAQYNKN-QHCPKHFHSA-N 1 0 376.544 5.064 40 0 GKABRO c1ccc(CN[C@H](c2ccccc2)[C@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000019365876 570980117 /nfs/dbraw/zinc/98/01/17/570980117.db2.gz QEUWNGJNPLRKLR-VSGBNLITSA-N 1 0 392.546 6.049 40 0 GKABRO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@@H+]2Cc2ccccc2F)n1 ZINC000019525608 570997229 /nfs/dbraw/zinc/99/72/29/570997229.db2.gz PHKCFBVDEGJMGS-QFIPXVFZSA-N 1 0 390.506 5.357 40 0 GKABRO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccc(C(C)C)cc2)c1C ZINC000019557944 571003993 /nfs/dbraw/zinc/00/39/93/571003993.db2.gz LBDXQRGBKBDNSI-NRFANRHFSA-N 1 0 378.520 5.532 40 0 GKABRO CCCCCC[C@@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@@H]1C ZINC000004898581 571004661 /nfs/dbraw/zinc/00/46/61/571004661.db2.gz XTXJCNLNKMWVKO-XDWXJERXSA-N 1 0 379.588 6.417 40 0 GKABRO Cc1c(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cnn1C ZINC000019690879 571029178 /nfs/dbraw/zinc/02/91/78/571029178.db2.gz OHNZUEQGJCCVMR-QHCPKHFHSA-N 1 0 394.950 5.013 40 0 GKABRO O=C1CC2=C[N@@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@H]2S1 ZINC000095708204 571094275 /nfs/dbraw/zinc/09/42/75/571094275.db2.gz XIFAJGMIPXJJEJ-XMMPIXPASA-N 1 0 397.543 5.600 40 0 GKABRO Brc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000095871169 571094863 /nfs/dbraw/zinc/09/48/63/571094863.db2.gz RUWZBENSISVWOW-UHFFFAOYSA-N 1 0 394.312 5.302 40 0 GKABRO Cc1cc(C(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)c(C[NH+]2CCCC2)o1 ZINC000019567819 210266722 /nfs/dbraw/zinc/26/67/22/210266722.db2.gz PGVDHNUPLSTNNG-AWEZNQCLSA-N 1 0 386.879 5.074 40 0 GKABRO O=C(c1cccc2ccccc21)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408603939 231076147 /nfs/dbraw/zinc/07/61/47/231076147.db2.gz CFFACJVTZMVNIT-UHFFFAOYSA-N 1 0 398.550 5.358 40 0 GKABRO CC(C)(C)c1ccc(CN2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000019366012 210244977 /nfs/dbraw/zinc/24/49/77/210244977.db2.gz PSRVWPSWGVQKTH-UHFFFAOYSA-N 1 0 378.604 5.599 40 0 GKABRO Fc1ccc([C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)cc1 ZINC000019333673 210242322 /nfs/dbraw/zinc/24/23/22/210242322.db2.gz JFRBHYRFRWXIMT-XZOQPEGZSA-N 1 0 396.893 5.059 40 0 GKABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)o2)s1 ZINC000019217843 210231905 /nfs/dbraw/zinc/23/19/05/210231905.db2.gz XAKNDFQALMHKIT-UHFFFAOYSA-N 1 0 390.512 5.034 40 0 GKABRO Cc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000019208456 210228439 /nfs/dbraw/zinc/22/84/39/210228439.db2.gz CSBLDOHYDLMUIZ-WPUZRXDDSA-N 1 0 389.543 5.009 40 0 GKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1C ZINC000016362741 210188115 /nfs/dbraw/zinc/18/81/15/210188115.db2.gz OORWSIZXTRNYRS-UHFFFAOYSA-N 1 0 391.555 5.641 40 0 GKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000224521124 222657622 /nfs/dbraw/zinc/65/76/22/222657622.db2.gz UWRSEIGTMRVHBK-UHFFFAOYSA-N 1 0 398.550 5.121 40 0 GKABRO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000007261240 209725778 /nfs/dbraw/zinc/72/57/78/209725778.db2.gz GSGXWDBCCXZYFH-UHFFFAOYSA-N 1 0 382.331 5.861 40 0 GKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1 ZINC000006857346 209698236 /nfs/dbraw/zinc/69/82/36/209698236.db2.gz QHZOSYLLSPRDEZ-UHFFFAOYSA-N 1 0 389.967 6.232 40 0 GKABRO O[C@@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1cccc2ccccc21 ZINC000001615852 209333946 /nfs/dbraw/zinc/33/39/46/209333946.db2.gz LWZPKJSREFRJAN-ZWGPAORLSA-N 1 0 399.578 5.782 40 0 GKABRO CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)C[NH+]1CCCCCCC1 ZINC000001593338 209333463 /nfs/dbraw/zinc/33/34/63/209333463.db2.gz SGYPZJVPXMCUGO-JOCHJYFZSA-N 1 0 377.572 5.854 40 0 GKABRO CC[NH+](CC)CCC[C@H](C)Nc1cc(OC)c2nc(C)cc(Cl)c2c1OC ZINC000002028731 209343161 /nfs/dbraw/zinc/34/31/61/209343161.db2.gz XEJLOJARJXBMBU-AWEZNQCLSA-N 1 0 393.959 5.136 40 0 GKABRO CC[NH+](CC)CCC[C@H](C)Nc1cc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000001687504 209337559 /nfs/dbraw/zinc/33/75/59/209337559.db2.gz SEDUQYVBGBSJEO-SFHVURJKSA-N 1 0 395.978 6.478 40 0 GKABRO CC[NH+](CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000001673184 209335108 /nfs/dbraw/zinc/33/51/08/209335108.db2.gz XMAUKSKZFHIFQS-NRFANRHFSA-N 1 0 389.326 5.584 40 0 GKABRO CC[NH+](CC)CCOC(COc1cc(C)cc(C)c1)COc1cc(C)cc(C)c1 ZINC000001707032 212254824 /nfs/dbraw/zinc/25/48/24/212254824.db2.gz ZUJOWUWFAWRCCD-UHFFFAOYSA-N 1 0 399.575 5.105 40 0 GKABRO C[NH+](C)Cc1ccc2ccccc2c1CC(O)(c1ccccc1)c1ccccc1 ZINC000001615638 212250832 /nfs/dbraw/zinc/25/08/32/212250832.db2.gz LINCGWMNCGJGAZ-UHFFFAOYSA-N 1 0 381.519 5.380 40 0 GKABRO COc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 ZINC000001468152 212247018 /nfs/dbraw/zinc/24/70/18/212247018.db2.gz BKSOZVLPWDNXPW-UHFFFAOYSA-N 1 0 387.425 5.186 40 0 GKABRO C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000216827122 212106636 /nfs/dbraw/zinc/10/66/36/212106636.db2.gz GSBAVTANHXFNNR-AWEZNQCLSA-N 1 0 385.305 5.632 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373133 212041255 /nfs/dbraw/zinc/04/12/55/212041255.db2.gz QTIQPXYWZPPBOB-QFIPXVFZSA-N 1 0 383.576 5.000 40 0 GKABRO O=C(CCC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000004215442 204033236 /nfs/dbraw/zinc/03/32/36/204033236.db2.gz OCXLBOACUPDBRL-UHFFFAOYSA-N 1 0 387.882 5.037 40 0 in-man GKABRO CCCC[NH+](CCCC)C1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000004726535 204069709 /nfs/dbraw/zinc/06/97/09/204069709.db2.gz UVQYNXBFQQSKNC-UHFFFAOYSA-N 1 0 387.999 6.514 40 0 GKABRO CC(C)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004886136 204087055 /nfs/dbraw/zinc/08/70/55/204087055.db2.gz VNTTWFCIBRCOIR-NOTZXAQLSA-N 1 0 377.532 5.127 40 0 GKABRO CCCCC[NH+](CCCCC)CC(C)(C)[C@H](O)c1ccc(OC)c2ccccc21 ZINC000004416946 204044176 /nfs/dbraw/zinc/04/41/76/204044176.db2.gz UKDUPHWVSJDRHH-RUZDIDTESA-N 1 0 399.619 6.590 40 0 GKABRO CCCCOc1ccc(/C(=C\C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004958172 204095835 /nfs/dbraw/zinc/09/58/35/204095835.db2.gz ZCZQGMONSGZTPU-PCVWMGQLSA-N 1 0 389.583 6.419 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C1 ZINC000216840854 209178906 /nfs/dbraw/zinc/17/89/06/209178906.db2.gz KBARSGRWXKXHBJ-AWEZNQCLSA-N 1 0 385.305 5.489 40 0 GKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(OC)c2cc(Cl)cc(Cl)c2n1 ZINC000005883025 204155644 /nfs/dbraw/zinc/15/56/44/204155644.db2.gz BBGZMCRBYSOHLH-GOSISDBHSA-N 1 0 399.362 5.486 40 0 GKABRO COc1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccccc2)cc1OC ZINC000005514137 204137287 /nfs/dbraw/zinc/13/72/87/204137287.db2.gz VZFRVYAPZHWMFD-FYWRMAATSA-N 1 0 388.512 5.425 40 0 GKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1ccc2c3c(cccc31)CC2 ZINC000005523963 204137469 /nfs/dbraw/zinc/13/74/69/204137469.db2.gz TTZXZNPNHMBVGF-RUZDIDTESA-N 1 0 381.604 6.434 40 0 GKABRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000008534277 204279697 /nfs/dbraw/zinc/27/96/97/204279697.db2.gz WPHRQDWLEVNQJR-KRWDZBQOSA-N 1 0 381.903 5.778 40 0 GKABRO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccccc1Cl ZINC000008254679 204267900 /nfs/dbraw/zinc/26/79/00/204267900.db2.gz KUIZHZMJQDQNJI-UHFFFAOYSA-N 1 0 387.951 6.130 40 0 GKABRO CCOCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008253126 204267993 /nfs/dbraw/zinc/26/79/93/204267993.db2.gz AOUWGXIDHMTXAT-UHFFFAOYSA-N 1 0 383.919 5.588 40 0 GKABRO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccccc1F ZINC000008254151 204268266 /nfs/dbraw/zinc/26/82/66/204268266.db2.gz APHWBUPMLSGEJG-UHFFFAOYSA-N 1 0 391.914 5.879 40 0 GKABRO CC[C@H](C)[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008326639 204272464 /nfs/dbraw/zinc/27/24/64/204272464.db2.gz FLCBOYPCKIITSV-ZDUSSCGKSA-N 1 0 396.300 5.064 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccccc1F ZINC000008470467 204276827 /nfs/dbraw/zinc/27/68/27/204276827.db2.gz XLSMSZUAJUNIEB-UHFFFAOYSA-N 1 0 391.914 5.879 40 0 GKABRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000008474524 204278368 /nfs/dbraw/zinc/27/83/68/204278368.db2.gz KJMIFSOTXRLZQN-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022073911 204774630 /nfs/dbraw/zinc/77/46/30/204774630.db2.gz CDRXCKGBISGNSA-UHFFFAOYSA-N 1 0 399.937 6.117 40 0 GKABRO O[C@]1(c2ccc(-c3ccccc3)cc2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000022407979 204781211 /nfs/dbraw/zinc/78/12/11/204781211.db2.gz BTBCEOHTIHOKPK-SANMLTNESA-N 1 0 383.515 5.004 40 0 GKABRO Cc1ccccc1CSCCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038853062 205040570 /nfs/dbraw/zinc/04/05/70/205040570.db2.gz CDDXXJIELULQLG-UHFFFAOYSA-N 1 0 396.600 5.034 40 0 GKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(C)cc1C ZINC000044856663 205088167 /nfs/dbraw/zinc/08/81/67/205088167.db2.gz UMKLDBQZVYNRNK-DEOSSOPVSA-N 1 0 378.560 5.091 40 0 GKABRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c(C)c1 ZINC000044934898 205090465 /nfs/dbraw/zinc/09/04/65/205090465.db2.gz HAGGMPTXFPTFTL-GOSISDBHSA-N 1 0 384.951 5.046 40 0 GKABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935599 205090557 /nfs/dbraw/zinc/09/05/57/205090557.db2.gz NFACPVZLNYPVAJ-IFMALSPDSA-N 1 0 384.951 5.128 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000044917168 205090703 /nfs/dbraw/zinc/09/07/03/205090703.db2.gz WRUQGHVZRVPKGN-UHFFFAOYSA-N 1 0 392.543 5.167 40 0 GKABRO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000006882497 205820670 /nfs/dbraw/zinc/82/06/70/205820670.db2.gz JHHPMZWFPYIAJV-UHFFFAOYSA-N 1 0 396.300 5.064 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC000224879847 206031358 /nfs/dbraw/zinc/03/13/58/206031358.db2.gz GOVOQMPPNBOELM-HNNXBMFYSA-N 1 0 392.421 5.069 40 0 GKABRO CCc1ccc(CC)c(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000224994578 206032231 /nfs/dbraw/zinc/03/22/31/206032231.db2.gz RMMCDGFQMHZIHD-UHFFFAOYSA-N 1 0 378.560 5.117 40 0 GKABRO CCCCc1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000225230252 206041459 /nfs/dbraw/zinc/04/14/59/206041459.db2.gz PRFORWXSARESJT-UHFFFAOYSA-N 1 0 387.618 5.042 40 0 GKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225745445 206072420 /nfs/dbraw/zinc/07/24/20/206072420.db2.gz ZQDJMRQBBUURLH-HSZRJFAPSA-N 1 0 392.584 5.111 40 0 GKABRO CC(C)(C)C[N@@H+]1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000257216749 206161394 /nfs/dbraw/zinc/16/13/94/206161394.db2.gz CVXFMSUXOFJUEO-IBGZPJMESA-N 1 0 390.493 5.917 40 0 GKABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)ccn1 ZINC000257258638 206168547 /nfs/dbraw/zinc/16/85/47/206168547.db2.gz KUWJYUGKSIQFMZ-UHFFFAOYSA-N 1 0 386.499 5.214 40 0 GKABRO Clc1ccc(Cc2ccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)nc2)cc1 ZINC000257344687 206183051 /nfs/dbraw/zinc/18/30/51/206183051.db2.gz ZYHKQGOSLNQTTQ-QHCPKHFHSA-N 1 0 390.958 5.748 40 0 GKABRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008497372 211629922 /nfs/dbraw/zinc/62/99/22/211629922.db2.gz WPQREMYYPVRBNJ-ABYRGBDGSA-N 1 0 375.556 5.960 40 0 GKABRO CC[NH+](CC)CCCNc1cccc2c(SCc3ccccc3)ccnc12 ZINC000001591927 206387506 /nfs/dbraw/zinc/38/75/06/206387506.db2.gz HRNGEYSSMHIOAU-UHFFFAOYSA-N 1 0 379.573 5.671 40 0 GKABRO CCCCC[NH+](CCCCC)CC[C@H](O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001665661 206388061 /nfs/dbraw/zinc/38/80/61/206388061.db2.gz MRLAIIHEGOVTFF-SANMLTNESA-N 1 0 379.588 6.364 40 0 GKABRO c1ccc(-c2oc3ccccc3c2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000001716411 206390665 /nfs/dbraw/zinc/39/06/65/206390665.db2.gz FJCAFPMHWTVMCY-UHFFFAOYSA-N 1 0 383.491 6.241 40 0 GKABRO CC[NH+](CC)CCN1c2ccc(OC)cc2Sc2ccc3ccccc3c21 ZINC000001848280 206392665 /nfs/dbraw/zinc/39/26/65/206392665.db2.gz WYKUNMOYFAGJQO-UHFFFAOYSA-N 1 0 378.541 5.793 40 0 GKABRO CC[NH+](CC)CCNc1cc(-c2ccccc2)nc2cc(-c3cccc(C)c3)nn21 ZINC000001341345 211505596 /nfs/dbraw/zinc/50/55/96/211505596.db2.gz PSCRKMOVCRKUNG-UHFFFAOYSA-N 1 0 399.542 5.125 40 0 GKABRO CCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555383 206529214 /nfs/dbraw/zinc/52/92/14/206529214.db2.gz DWMBLMXBAOMOLC-YIPNQBBMSA-N 1 0 385.551 5.852 40 0 GKABRO Fc1ccc(C[n+]2cccc(-c3nc4cc(-c5ccccc5)ccc4o3)c2)cc1 ZINC000226308290 211478883 /nfs/dbraw/zinc/47/88/83/211478883.db2.gz PYJXLZZZLUXAFZ-UHFFFAOYSA-N 1 0 381.430 5.637 40 0 GKABRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nnn3cc(-c4cccc(F)c4)ccc23)cc1 ZINC000096156566 211314462 /nfs/dbraw/zinc/31/44/62/211314462.db2.gz QRDSGGFHTAIRRB-QFIPXVFZSA-N 1 0 386.474 5.181 40 0 GKABRO COc1ccc(C[NH+]2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)cc1 ZINC000096100177 211302883 /nfs/dbraw/zinc/30/28/83/211302883.db2.gz RRIROYAAGCEHFB-UHFFFAOYSA-N 1 0 384.523 5.237 40 0 GKABRO O=C(Nc1ccccc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000096071371 211299498 /nfs/dbraw/zinc/29/94/98/211299498.db2.gz WMLMAIFNLNJFBZ-JOCHJYFZSA-N 1 0 383.923 5.003 40 0 GKABRO Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000090501530 211187712 /nfs/dbraw/zinc/18/77/12/211187712.db2.gz TYGUQXPQLFFAMR-LOSJGSFVSA-N 1 0 387.523 5.813 40 0 GKABRO Clc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)c1 ZINC000072380372 211107787 /nfs/dbraw/zinc/10/77/87/211107787.db2.gz HKQCKKDZOQNOLT-QFIPXVFZSA-N 1 0 388.902 5.615 40 0 GKABRO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000072357672 211099025 /nfs/dbraw/zinc/09/90/25/211099025.db2.gz WMWSLPKHIYTCRD-JOCHJYFZSA-N 1 0 397.444 5.423 40 0 GKABRO CCCCOc1ccc(/C(=C/C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000017378394 207089604 /nfs/dbraw/zinc/08/96/04/207089604.db2.gz ZCZQGMONSGZTPU-NONDXZSFSA-N 1 0 389.583 6.419 40 0 GKABRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000017314869 207088221 /nfs/dbraw/zinc/08/82/21/207088221.db2.gz SEDUQYVBGBSJEO-GOSISDBHSA-N 1 0 395.978 6.478 40 0 GKABRO COc1ccc(C2([NH2+]Cc3cccc(-n4nc(C)cc4C)c3)CCCC2)cc1 ZINC000019116434 207102197 /nfs/dbraw/zinc/10/21/97/207102197.db2.gz LQTODCRMRIRRGQ-UHFFFAOYSA-N 1 0 375.516 5.057 40 0 GKABRO Cc1nccn1-c1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)cc1 ZINC000019210142 207106676 /nfs/dbraw/zinc/10/66/76/207106676.db2.gz REMHZTXCIPIUDO-UHFFFAOYSA-N 1 0 382.511 5.087 40 0 GKABRO Fc1ccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2c2cc(C(F)F)n[nH]2)cc1 ZINC000019349444 207117511 /nfs/dbraw/zinc/11/75/11/207117511.db2.gz LZZGRHBDABGIIZ-DLBZAZTESA-N 1 0 389.396 5.009 40 0 GKABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c(-c2ccccc2)nn1C ZINC000019658570 207146260 /nfs/dbraw/zinc/14/62/60/207146260.db2.gz GLBRNIBIYXVGPA-HXUWFJFHSA-N 1 0 388.540 5.342 40 0 GKABRO Cc1ccccc1[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000020043323 207175781 /nfs/dbraw/zinc/17/57/81/207175781.db2.gz SFLAOTGWYFZTPP-AREMUKBSSA-N 1 0 398.550 5.500 40 0 GKABRO Clc1ccccc1COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000022073806 207245934 /nfs/dbraw/zinc/24/59/34/207245934.db2.gz ZVCXPOXIOWYGLU-UHFFFAOYSA-N 1 0 381.947 5.977 40 0 GKABRO Clc1ccccc1COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000022073808 207246321 /nfs/dbraw/zinc/24/63/21/207246321.db2.gz JHHBCGVTVZFICR-UHFFFAOYSA-N 1 0 381.947 5.833 40 0 GKABRO Cc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408157 207254001 /nfs/dbraw/zinc/25/40/01/207254001.db2.gz FEFZFAVMMROZMU-HHHXNRCGSA-N 1 0 397.542 5.312 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)CC1 ZINC000030868437 207377839 /nfs/dbraw/zinc/37/78/39/207377839.db2.gz CLSUHDHKKFCXEB-UHFFFAOYSA-N 1 0 377.315 5.478 40 0 GKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 ZINC000072358108 208002186 /nfs/dbraw/zinc/00/21/86/208002186.db2.gz KIZFIDYXOQWWQU-SANMLTNESA-N 1 0 399.538 5.276 40 0 GKABRO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1 ZINC000072370047 208005980 /nfs/dbraw/zinc/00/59/80/208005980.db2.gz PLENARUWAHMHBG-HSZRJFAPSA-N 1 0 378.495 5.140 40 0 GKABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375732 208007405 /nfs/dbraw/zinc/00/74/05/208007405.db2.gz OQFQNGUGHHEKPI-IBGZPJMESA-N 1 0 394.544 5.244 40 0 GKABRO CC[C@@]1(C)C[C@H]([C@@H](CC[NH2+]Cc2ccc(F)cc2)c2ccc(C)cc2)CCO1 ZINC000004815156 220769420 /nfs/dbraw/zinc/76/94/20/220769420.db2.gz CWHCPPKINMQAJH-VJTSUQJLSA-N 1 0 383.551 5.993 40 0 GKABRO C[NH+](C)CCCN1c2ccccc2C[C@H](C(=O)Nc2ccccc2)c2ccccc21 ZINC000005333827 220858309 /nfs/dbraw/zinc/85/83/09/220858309.db2.gz JEHAGTWNLIYJMA-QHCPKHFHSA-N 1 0 399.538 5.055 40 0 GKABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)c1 ZINC000257201190 209053937 /nfs/dbraw/zinc/05/39/37/209053937.db2.gz AGRPCNZVUIQDRC-OAQYLSRUSA-N 1 0 392.493 5.639 40 0 GKABRO COc1ccc(CC[N@@H+]2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)cc1 ZINC000257245665 209059284 /nfs/dbraw/zinc/05/92/84/209059284.db2.gz IQNOEVCELXKTPK-DEOSSOPVSA-N 1 0 386.539 5.103 40 0 GKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000008474412 221042519 /nfs/dbraw/zinc/04/25/19/221042519.db2.gz NXJHOMZUJDLCQE-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000008474342 221042655 /nfs/dbraw/zinc/04/26/55/221042655.db2.gz FGFCCFAFUAABSZ-UHFFFAOYSA-N 1 0 381.903 5.260 40 0 GKABRO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccc(Cl)cc1 ZINC000008495325 221042949 /nfs/dbraw/zinc/04/29/49/221042949.db2.gz VXRHUKUBCBZMBA-UHFFFAOYSA-N 1 0 385.866 5.357 40 0 GKABRO Clc1ccc(COc2ccccc2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000016449679 221363519 /nfs/dbraw/zinc/36/35/19/221363519.db2.gz IBDIGZZANPFPTL-UHFFFAOYSA-N 1 0 390.914 5.733 40 0 GKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1 ZINC000016480093 221363693 /nfs/dbraw/zinc/36/36/93/221363693.db2.gz HXTUOAAMJCAYOH-UHFFFAOYSA-N 1 0 387.910 6.362 40 0 GKABRO COc1ccc(Cc2ccc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)nc2)cc1 ZINC000257299720 209070353 /nfs/dbraw/zinc/07/03/53/209070353.db2.gz RRFWSPBSANKHOG-NRFANRHFSA-N 1 0 376.544 5.217 40 0 GKABRO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)C4CCCCC4)C3)c2)s1 ZINC000257327083 209075674 /nfs/dbraw/zinc/07/56/74/209075674.db2.gz WZWGPDYZEWKAPL-SFHVURJKSA-N 1 0 398.576 5.185 40 0 GKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C)cc1C ZINC000044856717 221955098 /nfs/dbraw/zinc/95/50/98/221955098.db2.gz WDKCYNINJAXTDI-DEOSSOPVSA-N 1 0 378.560 5.561 40 0 GKABRO Clc1ccccc1Cc1cccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072348828 222234173 /nfs/dbraw/zinc/23/41/73/222234173.db2.gz UFUMPASZULEAEZ-FQEVSTJZSA-N 1 0 377.919 5.100 40 0 GKABRO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348956 222234905 /nfs/dbraw/zinc/23/49/05/222234905.db2.gz SUUBIGGYMZAJGU-LJQANCHMSA-N 1 0 377.919 5.100 40 0 GKABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072354563 222238341 /nfs/dbraw/zinc/23/83/41/222238341.db2.gz MFGFDXNEZYFKEE-IBGZPJMESA-N 1 0 398.432 5.082 40 0 GKABRO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072357689 222240027 /nfs/dbraw/zinc/24/00/27/222240027.db2.gz QDSAPAYGHIORFN-QFIPXVFZSA-N 1 0 397.444 5.423 40 0 GKABRO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072358162 222240153 /nfs/dbraw/zinc/24/01/53/222240153.db2.gz WYISXSMIIBZOEK-NRFANRHFSA-N 1 0 390.449 5.007 40 0 GKABRO O=C(Nc1ccccc1-c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039749128 534383511 /nfs/dbraw/zinc/38/35/11/534383511.db2.gz WRRXOKWYCMCDJI-UHFFFAOYSA-N 1 0 388.486 5.343 40 0 GKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000408580170 534510210 /nfs/dbraw/zinc/51/02/10/534510210.db2.gz AWXFGYZNEMEYLI-UHFFFAOYSA-N 1 0 383.363 5.899 40 0 GKABRO O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613716 534680392 /nfs/dbraw/zinc/68/03/92/534680392.db2.gz ZQAUXIMOVDQAMC-SANMLTNESA-N 1 0 396.534 5.017 40 0 GKABRO CC(C)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000409119576 528199127 /nfs/dbraw/zinc/19/91/27/528199127.db2.gz SWHKWKIZMIGSPI-UHFFFAOYSA-N 1 0 384.523 5.621 40 0 GKABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000049169961 560084608 /nfs/dbraw/zinc/08/46/08/560084608.db2.gz PJTPUQOCVBOMQL-KRWDZBQOSA-N 1 0 387.405 5.053 40 0 biogenic,in-vitro GKABRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 ZINC000049168828 560084802 /nfs/dbraw/zinc/08/48/02/560084802.db2.gz WGCYRBJGVGETDC-ZDUSSCGKSA-N 1 0 380.797 5.490 40 0 biogenic,in-vitro GKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004430014 560198358 /nfs/dbraw/zinc/19/83/58/560198358.db2.gz RJNGJYWAIUJHOJ-QCYZZNICSA-N 1 0 387.696 7.435 40 0 in-vitro GKABRO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000006554646 560206063 /nfs/dbraw/zinc/20/60/63/560206063.db2.gz YHYQZSVKBBWONV-TXZWEJDASA-N 1 0 391.555 5.467 40 0 biogenic,in-vitro GKABRO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000006554656 560206132 /nfs/dbraw/zinc/20/61/32/560206132.db2.gz YHYQZSVKBBWONV-JAPVGVQISA-N 1 0 391.555 5.467 40 0 biogenic,in-vitro GKABRO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000008636112 560210577 /nfs/dbraw/zinc/21/05/77/560210577.db2.gz BVWABTFTWZUNPK-DNQXCXABSA-N 1 0 385.555 5.814 40 0 biogenic,in-vitro GKABRO CC/C(=C(/c1ccccc1)c1ccc(OCC[NH+](C)C)cc1)c1ccc(O)cc1 ZINC000013319948 560214247 /nfs/dbraw/zinc/21/42/47/560214247.db2.gz DODQJNMQWMSYGS-OCEACIFDSA-N 1 0 387.523 5.702 40 0 in-vitro GKABRO c1ccc(CN2CCC3(C[NH+](CC(c4ccccc4)c4ccccc4)C3)C2)cc1 ZINC000096202471 570219194 /nfs/dbraw/zinc/21/91/94/570219194.db2.gz PCJSKAXUELWQCS-UHFFFAOYSA-N 1 0 382.551 5.026 40 0 GKABRO c1ccc(CN2CCC[C@]3(CCC[N@@H+]3Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000096214653 570219627 /nfs/dbraw/zinc/21/96/27/570219627.db2.gz GUOVSFRAHPIGRV-NDEPHWFRSA-N 1 0 396.578 5.984 40 0 GKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)C1 ZINC000020044160 570237319 /nfs/dbraw/zinc/23/73/19/570237319.db2.gz KWGBSFRNAXEINV-OAHLLOKOSA-N 1 0 376.422 5.190 40 0 GKABRO CC(C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)c2c1-c1ccccc1CC2 ZINC000005285144 570252662 /nfs/dbraw/zinc/25/26/62/570252662.db2.gz AFKNQSVBRRIXNE-UHFFFAOYSA-N 1 0 376.523 6.655 40 0 GKABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000020451664 570257480 /nfs/dbraw/zinc/25/74/80/570257480.db2.gz KWGBAIMRRNKYEI-UHFFFAOYSA-N 1 0 391.342 5.155 40 0 GKABRO CC(=O)OCC[N@@H+](C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C)C[C@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000102146731 570287663 /nfs/dbraw/zinc/28/76/63/570287663.db2.gz BRHVDTJVVBPNCJ-PYSZQBSGSA-N 1 0 375.597 5.328 40 0 GKABRO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073913 570304794 /nfs/dbraw/zinc/30/47/94/570304794.db2.gz AVGMIAUGHMALOT-UHFFFAOYSA-N 1 0 399.937 5.972 40 0 GKABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215628 570313669 /nfs/dbraw/zinc/31/36/69/570313669.db2.gz FYDGJCROILLXAT-FQEVSTJZSA-N 1 0 387.568 5.703 40 0 GKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214880 570314852 /nfs/dbraw/zinc/31/48/52/570314852.db2.gz NKOMTUGBRZDLPM-LJQANCHMSA-N 1 0 375.557 5.415 40 0 GKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214763 570315019 /nfs/dbraw/zinc/31/50/19/570315019.db2.gz BOUPMTDMXODRII-IBGZPJMESA-N 1 0 375.557 5.560 40 0 GKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072214562 570315081 /nfs/dbraw/zinc/31/50/81/570315081.db2.gz VWYLEXPWIXTBTO-IBGZPJMESA-N 1 0 375.557 5.272 40 0 GKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072214761 570315085 /nfs/dbraw/zinc/31/50/85/570315085.db2.gz AZFUTLGXSPAJTI-LJQANCHMSA-N 1 0 375.557 5.416 40 0 GKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072214561 570315109 /nfs/dbraw/zinc/31/51/09/570315109.db2.gz VWYLEXPWIXTBTO-LJQANCHMSA-N 1 0 375.557 5.272 40 0 GKABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214907 570315254 /nfs/dbraw/zinc/31/52/54/570315254.db2.gz NEXDHCYZFWSCBD-NRFANRHFSA-N 1 0 395.547 5.569 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214998 570315307 /nfs/dbraw/zinc/31/53/07/570315307.db2.gz HDWDEVSMPATFIQ-IBGZPJMESA-N 1 0 375.557 5.559 40 0 GKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214941 570315348 /nfs/dbraw/zinc/31/53/48/570315348.db2.gz ZUPFSHORESGPBN-IBGZPJMESA-N 1 0 375.557 5.415 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072215059 570315366 /nfs/dbraw/zinc/31/53/66/570315366.db2.gz KWUPSOLEGLESKP-LJQANCHMSA-N 1 0 375.557 5.559 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072215000 570315392 /nfs/dbraw/zinc/31/53/92/570315392.db2.gz BXUVKLMJSRFHRZ-FQEVSTJZSA-N 1 0 389.584 5.806 40 0 GKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214942 570315459 /nfs/dbraw/zinc/31/54/59/570315459.db2.gz JYQLYNQTGXZVRB-LJQANCHMSA-N 1 0 375.557 5.559 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214999 570315515 /nfs/dbraw/zinc/31/55/15/570315515.db2.gz HDWDEVSMPATFIQ-LJQANCHMSA-N 1 0 375.557 5.559 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CCC ZINC000072215056 570315548 /nfs/dbraw/zinc/31/55/48/570315548.db2.gz QWEAJBZPRYPXDU-IBGZPJMESA-N 1 0 375.557 5.560 40 0 GKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072214981 570315553 /nfs/dbraw/zinc/31/55/53/570315553.db2.gz JBUQWCHEUQYVJV-IBGZPJMESA-N 1 0 375.557 5.416 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072215263 570315710 /nfs/dbraw/zinc/31/57/10/570315710.db2.gz WHYSFGGFJLOLIP-MJGOQNOKSA-N 1 0 375.557 5.557 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072215236 570315721 /nfs/dbraw/zinc/31/57/21/570315721.db2.gz KMIFNHOVBNKCGD-PKOBYXMFSA-N 1 0 375.557 5.415 40 0 GKABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C1CC1 ZINC000072215311 570315744 /nfs/dbraw/zinc/31/57/44/570315744.db2.gz MDBSQJGOYQAYJC-NRFANRHFSA-N 1 0 393.531 5.323 40 0 GKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072215158 570315864 /nfs/dbraw/zinc/31/58/64/570315864.db2.gz GZNTUPIVEZVJFD-AZUAARDMSA-N 1 0 389.584 5.805 40 0 GKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072215235 570315985 /nfs/dbraw/zinc/31/59/85/570315985.db2.gz KMIFNHOVBNKCGD-IEBWSBKVSA-N 1 0 375.557 5.415 40 0 GKABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215682 570316636 /nfs/dbraw/zinc/31/66/36/570316636.db2.gz OEBHRAALRNHTKA-FQEVSTJZSA-N 1 0 387.568 5.701 40 0 GKABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215681 570316715 /nfs/dbraw/zinc/31/67/15/570316715.db2.gz OEBHRAALRNHTKA-HXUWFJFHSA-N 1 0 387.568 5.701 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000022511754 570318869 /nfs/dbraw/zinc/31/88/69/570318869.db2.gz SEDNZHLAIYFKDB-HNNXBMFYSA-N 1 0 376.422 5.190 40 0 GKABRO CC(C)c1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)C(C)(C)C)[C@H]3C2)cc1 ZINC000585109747 570319582 /nfs/dbraw/zinc/31/95/82/570319582.db2.gz OBTCPIFMUFGXMG-KMDXXIMOSA-N 1 0 390.571 5.243 40 0 GKABRO COc1ccc(Cc2ccc(C3CC[NH+](CCc4ccccc4)CC3)nc2)cc1 ZINC000585176612 570319989 /nfs/dbraw/zinc/31/99/89/570319989.db2.gz HLJAUDIIAWXJMM-UHFFFAOYSA-N 1 0 386.539 5.103 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022076565 570320839 /nfs/dbraw/zinc/32/08/39/570320839.db2.gz RXJHWJVVFQJHSU-XCLFUZPHSA-N 1 0 376.283 5.465 40 0 GKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1)[C@@H](O)c1ccccc1 ZINC000022076851 570320930 /nfs/dbraw/zinc/32/09/30/570320930.db2.gz GBCZHEWAVTUHPW-ZUOKHONESA-N 1 0 376.283 5.465 40 0 GKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)C1 ZINC000022533745 570321173 /nfs/dbraw/zinc/32/11/73/570321173.db2.gz JJCSNPRALFBCCL-AWEZNQCLSA-N 1 0 377.315 5.478 40 0 GKABRO Cc1cc(OC[C@@]2(O)CCC[N@@H+](C3CCC(C)(C)CC3)C2)cc(C)c1Cl ZINC000585281787 570321491 /nfs/dbraw/zinc/32/14/91/570321491.db2.gz RNDABBCFCYXJKB-JOCHJYFZSA-N 1 0 379.972 5.131 40 0 GKABRO Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044905748 570322558 /nfs/dbraw/zinc/32/25/58/570322558.db2.gz BMEZBAFJWSWZDW-QUCCMNQESA-N 1 0 384.951 5.046 40 0 GKABRO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072359226 570339815 /nfs/dbraw/zinc/33/98/15/570339815.db2.gz HXPBQKUYAJNPMC-IBGZPJMESA-N 1 0 386.474 5.144 40 0 GKABRO COc1cccc(-c2cncc([C@@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)n2)c1 ZINC000072359866 570339934 /nfs/dbraw/zinc/33/99/34/570339934.db2.gz HQKUGLUKPSXISU-OAQYLSRUSA-N 1 0 398.510 5.013 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCCc3ccc(C(C)C)cc3)CC2)c1 ZINC000219407828 570359325 /nfs/dbraw/zinc/35/93/25/570359325.db2.gz RXYLQJGEYBCBAE-UHFFFAOYSA-N 1 0 392.587 5.079 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCc2ccc(C(C)C)cc2)CC1 ZINC000219406069 570359330 /nfs/dbraw/zinc/35/93/30/570359330.db2.gz HBJBZVLKZPDNMX-UHFFFAOYSA-N 1 0 392.587 5.079 40 0 GKABRO CC(C)[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004176987 570361193 /nfs/dbraw/zinc/36/11/93/570361193.db2.gz KLOBRRLODJPCDR-GWMMUDDPSA-N 1 0 385.551 5.708 40 0 GKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915669 570367000 /nfs/dbraw/zinc/36/70/00/570367000.db2.gz RJNGJYWAIUJHOJ-PERCSONFSA-N 1 0 387.696 7.435 40 0 in-vitro GKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@H+]2C[C@H](C)CC[C@@H]12 ZINC000118919209 570367704 /nfs/dbraw/zinc/36/77/04/570367704.db2.gz JALVTHFTYRPDMB-ARFBNMCRSA-N 1 0 399.663 5.735 40 0 in-man GKABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000057774465 570373813 /nfs/dbraw/zinc/37/38/13/570373813.db2.gz HLXLYAKKZZYYOS-CQSZACIVSA-N 1 0 393.384 5.069 40 0 GKABRO CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc([C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000004692093 570393888 /nfs/dbraw/zinc/39/38/88/570393888.db2.gz AUPQNYPRSQVHKG-ZNZIZOMTSA-N 1 0 395.587 5.902 40 0 GKABRO C[N+]1=C(/C=C\c2ccc(I)cc2)C(C)(C)c2ccccc21 ZINC000004769195 570404642 /nfs/dbraw/zinc/40/46/42/570404642.db2.gz WGFOVQCLUWRDQS-RAXLEYEMSA-N 1 0 388.272 5.011 40 0 GKABRO C[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004785655 570405646 /nfs/dbraw/zinc/40/56/46/570405646.db2.gz XYXSWNLJRUZOJN-YXGPKXJVSA-N 1 0 385.551 5.660 40 0 GKABRO C[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000004802804 570406285 /nfs/dbraw/zinc/40/62/85/570406285.db2.gz BEWVWNGYSGPFME-URPHZZJISA-N 1 0 391.942 5.726 40 0 GKABRO CCC[C@@]1(O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000004844923 570411628 /nfs/dbraw/zinc/41/16/28/570411628.db2.gz JNMBOTCAWAEZQM-MYDCNYLUSA-N 1 0 378.343 5.936 40 0 GKABRO CCc1[nH]nc(-c2ccc(OC)cc2)c1-c1ccccc1OCC[NH+](CC)CC ZINC000004877408 570414696 /nfs/dbraw/zinc/41/46/96/570414696.db2.gz DQANCZNWOVGPDU-UHFFFAOYSA-N 1 0 393.531 5.035 40 0 GKABRO O=C(NCc1ccc2ccccc2c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222813560 570427182 /nfs/dbraw/zinc/42/71/82/570427182.db2.gz PLEGMWXGZOAMCJ-QFIPXVFZSA-N 1 0 392.930 5.022 40 0 GKABRO c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000005105035 570429731 /nfs/dbraw/zinc/42/97/31/570429731.db2.gz PIWBBRRXNVVFGQ-SXOMAYOGSA-N 1 0 395.550 5.943 40 0 GKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222944291 570432324 /nfs/dbraw/zinc/43/23/24/570432324.db2.gz JNKDLPCQSJFYQV-IBGZPJMESA-N 1 0 376.544 5.042 40 0 GKABRO CCCC[C@H](CC)C[C@H](CC)C[NH+](CCO)C[C@@H](CC)C[C@@H](CC)CCCC ZINC000005298613 570433659 /nfs/dbraw/zinc/43/36/59/570433659.db2.gz BZWSJGSYMPLHGS-CQJMVLFOSA-N 1 0 397.732 7.546 40 0 GKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222982006 570434812 /nfs/dbraw/zinc/43/48/12/570434812.db2.gz LDLIKSVHWFIWBY-HXUWFJFHSA-N 1 0 390.571 5.432 40 0 GKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000039761324 570445541 /nfs/dbraw/zinc/44/55/41/570445541.db2.gz PZFQZVSOTOFCSV-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039762070 570445700 /nfs/dbraw/zinc/44/57/00/570445700.db2.gz NPLDSCSFJRRVPP-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039762107 570445716 /nfs/dbraw/zinc/44/57/16/570445716.db2.gz QUSOCPZAFODJRZ-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000039766554 570445950 /nfs/dbraw/zinc/44/59/50/570445950.db2.gz XXQMHRLCESVYDH-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO O=C(Nc1c(Cl)cccc1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039773540 570446353 /nfs/dbraw/zinc/44/63/53/570446353.db2.gz YJYMZRWHDMLVMJ-UHFFFAOYSA-N 1 0 397.733 5.498 40 0 GKABRO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039754906 570447855 /nfs/dbraw/zinc/44/78/55/570447855.db2.gz VDBLAEWTYUDYEY-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039759421 570450054 /nfs/dbraw/zinc/45/00/54/570450054.db2.gz FWYNNRAEBPMCSW-UHFFFAOYSA-N 1 0 396.840 5.210 40 0 GKABRO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220920 570452751 /nfs/dbraw/zinc/45/27/51/570452751.db2.gz GFVHAXJDPCZWTP-MRXNPFEDSA-N 1 0 377.315 5.153 40 0 GKABRO COc1ccc2c(c1OC)[C@H](C=C(c1ccccc1)c1ccccc1)C[N@@H+](C)C2 ZINC000005722646 570453050 /nfs/dbraw/zinc/45/30/50/570453050.db2.gz BMBANZRNVKDGHZ-JOCHJYFZSA-N 1 0 385.507 5.365 40 0 GKABRO COc1cc(N[C@@H](C)C[NH+](CC(C)C)CC(C)C)c2ncccc2c1Cl ZINC000005962658 570463395 /nfs/dbraw/zinc/46/33/95/570463395.db2.gz YBLLVXWTGTUZKJ-INIZCTEOSA-N 1 0 377.960 5.311 40 0 GKABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000223469859 570467317 /nfs/dbraw/zinc/46/73/17/570467317.db2.gz YDXMCJGJZFRZPR-NRFANRHFSA-N 1 0 378.560 5.010 40 0 GKABRO O=C1CCCCCCCCCC[C@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000006575015 570484005 /nfs/dbraw/zinc/48/40/05/570484005.db2.gz VQMYAVZCQWJTBY-SANMLTNESA-N 1 0 391.599 6.789 40 0 GKABRO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000030751076 570494358 /nfs/dbraw/zinc/49/43/58/570494358.db2.gz JEBIOCSWBDFNND-XMMPIXPASA-N 1 0 394.559 5.198 40 0 GKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000006857335 570496990 /nfs/dbraw/zinc/49/69/90/570496990.db2.gz KHFZRZUWSYNQBX-UHFFFAOYSA-N 1 0 375.556 6.723 40 0 GKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000006857371 570497131 /nfs/dbraw/zinc/49/71/31/570497131.db2.gz FODRMEPIEKJKEN-UHFFFAOYSA-N 1 0 389.967 6.232 40 0 GKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccccc1Cl ZINC000006857378 570497171 /nfs/dbraw/zinc/49/71/71/570497171.db2.gz PQDSVZJAHRHMKY-UHFFFAOYSA-N 1 0 389.967 6.232 40 0 GKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000030850297 570498032 /nfs/dbraw/zinc/49/80/32/570498032.db2.gz LDXOLASYSBEGKI-FQEVSTJZSA-N 1 0 392.587 5.707 40 0 GKABRO CCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000007261629 570502045 /nfs/dbraw/zinc/50/20/45/570502045.db2.gz ISQSZYGMZXHPKZ-UHFFFAOYSA-N 1 0 396.300 5.066 40 0 GKABRO CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000007261656 570502057 /nfs/dbraw/zinc/50/20/57/570502057.db2.gz JZLXBIQYXFETAA-UHFFFAOYSA-N 1 0 382.729 5.571 40 0 GKABRO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000007261009 570502106 /nfs/dbraw/zinc/50/21/06/570502106.db2.gz ZZPHAONIMHTQMN-UHFFFAOYSA-N 1 0 396.358 6.251 40 0 GKABRO CCCCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000007261014 570502139 /nfs/dbraw/zinc/50/21/39/570502139.db2.gz AGYKHINJEPCYDP-UHFFFAOYSA-N 1 0 379.903 5.737 40 0 GKABRO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000007261643 570502295 /nfs/dbraw/zinc/50/22/95/570502295.db2.gz KZWCROJMVXVVEZ-UHFFFAOYSA-N 1 0 382.331 5.861 40 0 GKABRO COC(c1ccccc1)(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000031719411 570505779 /nfs/dbraw/zinc/50/57/79/570505779.db2.gz JBAHSWIYXPCPOY-QZIBZCQVSA-N 1 0 397.562 6.335 40 0 GKABRO COc1ccc(CC[N@H+](C)C2c3ccccc3C=Cc3ccccc32)cc1OC ZINC000031748906 570505909 /nfs/dbraw/zinc/50/59/09/570505909.db2.gz HIYSIEZKZQATSM-UHFFFAOYSA-N 1 0 385.507 5.452 40 0 GKABRO c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000031719781 570505916 /nfs/dbraw/zinc/50/59/16/570505916.db2.gz MXHKBHYUIWOIKQ-NDEPHWFRSA-N 1 0 393.530 6.339 40 0 GKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000007522382 570506560 /nfs/dbraw/zinc/50/65/60/570506560.db2.gz BGGLKYIWKTZGKA-UHFFFAOYSA-N 1 0 387.951 6.130 40 0 GKABRO O[C@H](c1ccccc1)[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000031923990 570507514 /nfs/dbraw/zinc/50/75/14/570507514.db2.gz ZGULMLKTCWGICW-UPRLRBBYSA-N 1 0 393.530 6.035 40 0 GKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCCc1ccccc1 ZINC000007540032 570507894 /nfs/dbraw/zinc/50/78/94/570507894.db2.gz JMWLBSOPZUJHCB-UHFFFAOYSA-N 1 0 391.555 5.375 40 0 GKABRO Clc1ccc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)c(Cl)c1 ZINC000007538724 570507908 /nfs/dbraw/zinc/50/79/08/570507908.db2.gz JOJQZFNECZQWLY-UHFFFAOYSA-N 1 0 376.327 6.312 40 0 GKABRO 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CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000007262313 570757313 /nfs/dbraw/zinc/75/73/13/570757313.db2.gz WMSBZUVZSNRDMA-UHFFFAOYSA-N 1 0 396.300 5.066 40 0 GKABRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007538733 570760351 /nfs/dbraw/zinc/76/03/51/570760351.db2.gz OSDKHIVSWOUPBU-DUXBZUBYSA-N 1 0 393.527 5.428 40 0 GKABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+][C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007540775 570760357 /nfs/dbraw/zinc/76/03/57/570760357.db2.gz AMYYRMCGPWCHQD-NCXNUKSQSA-N 1 0 379.544 5.694 40 0 GKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1cccs1 ZINC000007539930 570760360 /nfs/dbraw/zinc/76/03/60/570760360.db2.gz HRGIJHQSNYLDCN-UHFFFAOYSA-N 1 0 391.895 5.418 40 0 GKABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007539708 570760374 /nfs/dbraw/zinc/76/03/74/570760374.db2.gz YYTSEPRTIHIGEU-NSDYXAQKSA-N 1 0 387.926 6.434 40 0 GKABRO C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008377359 570768724 /nfs/dbraw/zinc/76/87/24/570768724.db2.gz WYVXXGQFVXEOMQ-UHFFFAOYSA-N 1 0 375.093 5.054 40 0 GKABRO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009062645 570773908 /nfs/dbraw/zinc/77/39/08/570773908.db2.gz WVKZARLWHNAEQQ-GOSISDBHSA-N 1 0 384.951 5.046 40 0 GKABRO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)CCCC ZINC000013562816 570851710 /nfs/dbraw/zinc/85/17/10/570851710.db2.gz WEOCXFUEIUWOBH-XDZXDJIYSA-N 1 0 393.615 6.922 40 0 GKABRO CCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730639 570863824 /nfs/dbraw/zinc/86/38/24/570863824.db2.gz KVDYXLSZJRNUOR-UHFFFAOYSA-N 1 0 387.115 5.361 40 0 GKABRO c1ccc(Nc2ccc([C@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)nc2)nc1 ZINC000072353350 570881372 /nfs/dbraw/zinc/88/13/72/570881372.db2.gz FZNSSVWLCYODPA-FQEVSTJZSA-N 1 0 395.510 5.148 40 0 GKABRO CCCCC[NH+](CCCCC)CC(C)(C)[C@@H](O)c1ccc(OC)c2ccccc21 ZINC000005524355 570897865 /nfs/dbraw/zinc/89/78/65/570897865.db2.gz UKDUPHWVSJDRHH-VWLOTQADSA-N 1 0 399.619 6.590 40 0 GKABRO CCn1c2ccccc2c2cc(CN3CC[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC3)ccc21 ZINC000169706554 570905135 /nfs/dbraw/zinc/90/51/35/570905135.db2.gz XXBYUKOZMOTUIR-MDNUFGMLSA-N 1 0 399.582 5.144 40 0 GKABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]Cc2cccs2)c1 ZINC000016480579 570913900 /nfs/dbraw/zinc/91/39/00/570913900.db2.gz OBBYOKFGKFWEDI-UHFFFAOYSA-N 1 0 388.330 5.379 40 0 GKABRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C ZINC000044856304 570914580 /nfs/dbraw/zinc/91/45/80/570914580.db2.gz HXMIHKHDUSTAHV-RXVVDRJESA-N 1 0 384.951 5.046 40 0 GKABRO Fc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000016450014 570925672 /nfs/dbraw/zinc/92/56/72/570925672.db2.gz JWHQBYDOYXOWTC-UHFFFAOYSA-N 1 0 390.285 6.001 40 0 GKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000016525873 570927353 /nfs/dbraw/zinc/92/73/53/570927353.db2.gz UAXVYMZNVUZTTI-HXUWFJFHSA-N 1 0 381.903 5.341 40 0 GKABRO CCc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000036614397 570943010 /nfs/dbraw/zinc/94/30/10/570943010.db2.gz INNVAFCCUUWNAL-NHTMILBNSA-N 1 0 399.962 5.476 40 0 GKABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)on1 ZINC000019210192 570960356 /nfs/dbraw/zinc/96/03/56/570960356.db2.gz QPJXXRMJWUAQEK-LADGPHEKSA-N 1 0 375.516 5.100 40 0 GKABRO CC(C)[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004863318 570998467 /nfs/dbraw/zinc/99/84/67/570998467.db2.gz QTRIGFJYNKGEIO-SSUZURRFSA-N 1 0 389.514 5.761 40 0 GKABRO COc1ccc(C2([NH2+]Cc3c(C)nn(Cc4ccccc4)c3C)CCCC2)cc1 ZINC000019578356 571012174 /nfs/dbraw/zinc/01/21/74/571012174.db2.gz ARQJSYNUARGLMH-UHFFFAOYSA-N 1 0 389.543 5.116 40 0 GKABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)cnn1C ZINC000019690883 571029140 /nfs/dbraw/zinc/02/91/40/571029140.db2.gz OVPWPNODHQUBCO-HSZRJFAPSA-N 1 0 394.950 5.013 40 0 GKABRO COc1cccc(Cc2cc(C)nc([C@H]3CCC[N@@H+]3Cc3cnc(C)s3)c2)c1 ZINC000019691978 571029679 /nfs/dbraw/zinc/02/96/79/571029679.db2.gz YDADNWSUEWFBOI-HSZRJFAPSA-N 1 0 393.556 5.091 40 0 GKABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096053031 571097689 /nfs/dbraw/zinc/09/76/89/571097689.db2.gz GOHARUVZMNVZRC-HXUWFJFHSA-N 1 0 396.600 5.028 40 0 GKABRO Cc1cc(C(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)c(C[NH+]2CCCC2)o1 ZINC000019567816 210266069 /nfs/dbraw/zinc/26/60/69/210266069.db2.gz PGVDHNUPLSTNNG-CQSZACIVSA-N 1 0 386.879 5.074 40 0 GKABRO C/C(=C\c1ccccc1)C[NH+]1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019564969 210266119 /nfs/dbraw/zinc/26/61/19/210266119.db2.gz NRDMCZZCCACNPX-NTCAYCPXSA-N 1 0 397.469 5.752 40 0 GKABRO CCOc1ccc([C@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)cc1 ZINC000019532661 210260198 /nfs/dbraw/zinc/26/01/98/210260198.db2.gz GGTKCUJOSDLTRD-KKSFZXQISA-N 1 0 379.504 5.006 40 0 GKABRO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039749000 230928283 /nfs/dbraw/zinc/92/82/83/230928283.db2.gz WSZCFAWPUIRQGT-UHFFFAOYSA-N 1 0 377.315 5.153 40 0 GKABRO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1C ZINC000223476587 222634053 /nfs/dbraw/zinc/63/40/53/222634053.db2.gz YYEVFGPFGXDZRN-NRFANRHFSA-N 1 0 378.560 5.479 40 0 GKABRO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccccc2F)cc1 ZINC000016449525 210191410 /nfs/dbraw/zinc/19/14/10/210191410.db2.gz BKHMFHUFNAYWPI-UHFFFAOYSA-N 1 0 387.857 5.530 40 0 GKABRO Clc1ccc(COc2ccc(C[NH2+]CCc3ccccc3)cc2)c(Cl)c1 ZINC000016479355 210190426 /nfs/dbraw/zinc/19/04/26/210190426.db2.gz ADLIWOHPECUXSI-UHFFFAOYSA-N 1 0 386.322 5.905 40 0 GKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccccc1C ZINC000016362790 210188468 /nfs/dbraw/zinc/18/84/68/210188468.db2.gz UNZXHYILGRBDCZ-UHFFFAOYSA-N 1 0 379.475 5.054 40 0 GKABRO