smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)N(CC[C@H]1CCCC[N@@H+]1C)c1ccccc1S2 ZINC000000608012 525549004 /nfs/dbraw/zinc/54/90/04/525549004.db2.gz QOJDAWZHQLNKDR-MRXNPFEDSA-N 1 0 354.519 5.172 40 0 in-man FKABRO Cc1cc(Cl)cc2c(=O)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)[nH]c12 ZINC000000934610 570464141 /nfs/dbraw/zinc/46/41/41/570464141.db2.gz NNZGDIOXNUWQEL-AOMKIAJQSA-N 1 0 372.940 5.611 40 0 FKABRO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000000950408 219345729 /nfs/dbraw/zinc/34/57/29/219345729.db2.gz IOFZKNOSHLPSBP-NYHFZMIOSA-N 1 0 372.940 5.611 40 0 FKABRO C[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000001408449 571293275 /nfs/dbraw/zinc/29/32/75/571293275.db2.gz AQYWHUJCPVLQLO-PCWWUVHHSA-N 1 0 371.524 5.414 40 0 FKABRO CCOc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000001468146 204008983 /nfs/dbraw/zinc/00/89/83/204008983.db2.gz YGKGEWQCMUKHGJ-UHFFFAOYSA-N 1 0 367.900 5.210 40 0 FKABRO CC[N@H+](C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1 ZINC000001547575 204012219 /nfs/dbraw/zinc/01/22/19/204012219.db2.gz MYKJVLTXPNIGOV-KTKRTIGZSA-N 1 0 359.985 7.056 40 0 investigational FKABRO CCN1c2ccccc2O/C1=C\C=C\C=C\c1oc2ccccc2[n+]1CC ZINC000001560646 219411954 /nfs/dbraw/zinc/41/19/54/219411954.db2.gz VAGJCLDZLVQVPR-UHFFFAOYSA-N 1 0 359.449 5.070 40 0 FKABRO CC[NH+](CC)CCN1c2ccc(C)cc2Sc2ccc3ccccc3c21 ZINC000001561933 132382234 /nfs/dbraw/zinc/38/22/34/132382234.db2.gz ZMMOJJVUYBPXGS-UHFFFAOYSA-N 1 0 362.542 6.093 40 0 FKABRO O=C(OCC[NH+]1CCCCCCCC1)C(c1ccccc1)c1ccccc1 ZINC000001562287 204012580 /nfs/dbraw/zinc/01/25/80/204012580.db2.gz MQZCWGWAVOPFIH-UHFFFAOYSA-N 1 0 365.517 5.018 40 0 FKABRO C[C@]12c3ccccc3[C@H](C(c3ccccc3)=C1c1ccccc1)[n+]1ccccc12 ZINC000001564564 210359020 /nfs/dbraw/zinc/35/90/20/210359020.db2.gz IHHJUAPMWDWYNN-VSGBNLITSA-N 1 0 372.491 5.808 40 0 FKABRO C[C@@]12c3ccccc3[C@@H](C(c3ccccc3)=C1c1ccccc1)[n+]1ccccc12 ZINC000001564565 204012675 /nfs/dbraw/zinc/01/26/75/204012675.db2.gz IHHJUAPMWDWYNN-NSOVKSMOSA-N 1 0 372.491 5.808 40 0 FKABRO CC[NH+](CC)CCCCCCCNc1cc(OC)cc2c(C)ccnc12 ZINC000001568077 210359995 /nfs/dbraw/zinc/35/99/95/210359995.db2.gz ZFEGQNGGNPZFFS-UHFFFAOYSA-N 1 0 357.542 5.256 40 0 FKABRO CC[NH+](CC)CCCCCCNc1cc(OC)c(F)c2c(C)ccnc12 ZINC000001568084 571214467 /nfs/dbraw/zinc/21/44/67/571214467.db2.gz RWLBMCMLTHIUMT-UHFFFAOYSA-N 1 0 361.505 5.005 40 0 FKABRO CC[NH+](CC)C[C@H](O)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 ZINC000001570650 570501849 /nfs/dbraw/zinc/50/18/49/570501849.db2.gz GPLJBFUSTMABDL-QFIPXVFZSA-N 1 0 374.528 5.144 40 0 FKABRO C[C@H](CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)C[NH+](C)C ZINC000001579054 132382251 /nfs/dbraw/zinc/38/22/51/132382251.db2.gz ILBBYVOOXMPNTM-ZDUSSCGKSA-N 1 0 366.452 5.506 40 0 in-man FKABRO Cc1cc(Nc2ccc3c(c2)OCO3)c2cc(C3CCCCC3)ccc2[nH+]1 ZINC000001590485 570502642 /nfs/dbraw/zinc/50/26/42/570502642.db2.gz KZWUXBRFSWGVGS-UHFFFAOYSA-N 1 0 360.457 6.063 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1cc(Cl)c(Cl)cc1C ZINC000001591914 204013049 /nfs/dbraw/zinc/01/30/49/204013049.db2.gz XAOUNCPWJADRER-IBGZPJMESA-N 1 0 360.369 6.018 40 0 FKABRO CC[NH+](CC)CCC[C@H](C)Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000001592015 206889457 /nfs/dbraw/zinc/88/94/57/206889457.db2.gz CPLFUAYNZKWBMW-SFHVURJKSA-N 1 0 362.521 5.219 40 0 FKABRO CC[N@H+](CCO)Cc1c(Cl)c(-c2ccccc2)oc1-c1ccccc1 ZINC000001592054 210361650 /nfs/dbraw/zinc/36/16/50/210361650.db2.gz WGXAWTJJQFNVIJ-UHFFFAOYSA-N 1 0 355.865 5.081 40 0 FKABRO CCCC[NH+](CCCC)C[C@H](O)c1ccnc2c(Cl)cc(Cl)cc12 ZINC000001595069 570502534 /nfs/dbraw/zinc/50/25/34/570502534.db2.gz KKIDSYHNLHKVRP-SFHVURJKSA-N 1 0 369.336 5.477 40 0 FKABRO CC[NH2+]C1(C2c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 ZINC000001595276 204013640 /nfs/dbraw/zinc/01/36/40/204013640.db2.gz HGMTVIMWWTVWPF-UHFFFAOYSA-N 1 0 373.499 6.333 40 0 FKABRO CC[NH+](CC)CCCCCCNc1cc(OC)c(Cl)c2cccnc12 ZINC000001596773 210361670 /nfs/dbraw/zinc/36/16/70/210361670.db2.gz YJYDXOOEIQLFBV-UHFFFAOYSA-N 1 0 363.933 5.211 40 0 FKABRO CC[NH+](CC)CCCNc1ccc(-c2cc(OC)cc3cccnc32)cc1 ZINC000001596784 571240626 /nfs/dbraw/zinc/24/06/26/571240626.db2.gz YEVNALHWCSFXNF-UHFFFAOYSA-N 1 0 363.505 5.054 40 0 FKABRO CCCC[NH+](CCCC)CC[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001596786 204013718 /nfs/dbraw/zinc/01/37/18/204013718.db2.gz DYLWYXWERCOYOB-VWLOTQADSA-N 1 0 367.577 6.044 40 0 FKABRO CC[NH+](CC)CCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001599511 204013678 /nfs/dbraw/zinc/01/36/78/204013678.db2.gz RZAGKPGSXHKXRG-UHFFFAOYSA-N 1 0 365.515 5.674 40 0 FKABRO C[NH+](C)CCCN1c2ccc3ccccc3c2Sc2cccc(Cl)c21 ZINC000001608874 535833826 /nfs/dbraw/zinc/83/38/26/535833826.db2.gz YQQOWRFAYJNTDF-UHFFFAOYSA-N 1 0 368.933 6.048 40 0 in-vitro FKABRO COc1ccc2c(c1)Sc1c3ccccc3ccc1N2CCC[NH+](C)C ZINC000001608875 537003652 /nfs/dbraw/zinc/00/36/52/537003652.db2.gz HWWVHHSHFWKHQH-UHFFFAOYSA-N 1 0 364.514 5.403 40 0 FKABRO Cc1ccc(C)c2c1Sc1c3ccccc3ccc1N2CCC[NH+](C)C ZINC000001608877 132382277 /nfs/dbraw/zinc/38/22/77/132382277.db2.gz YVPBESDCGKPQTK-UHFFFAOYSA-N 1 0 362.542 6.011 40 0 FKABRO CCOc1ccc([C@@H](CC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000001615858 204013794 /nfs/dbraw/zinc/01/37/94/204013794.db2.gz NQCHWGIDYBIPJN-BAWHURIHSA-N 1 0 363.545 5.729 40 0 FKABRO O[C@@](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000001615864 210361566 /nfs/dbraw/zinc/36/15/66/210361566.db2.gz KLWHJONHJZVCLM-YDHSSHFGSA-N 1 0 369.936 5.088 40 0 FKABRO COc1cc2c(cc1OC)[C@@H](C(c1ccccc1)c1ccccc1)[N@H+](C)CC2 ZINC000001617792 570503000 /nfs/dbraw/zinc/50/30/00/570503000.db2.gz FWQAJQNEFXJSOZ-VWLOTQADSA-N 1 0 373.496 5.065 40 0 FKABRO CC[NH+](CC)C[C@H](O)c1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000001622213 570503355 /nfs/dbraw/zinc/50/33/55/570503355.db2.gz MEXJERWEMCMHCL-VWLOTQADSA-N 1 0 370.496 5.430 40 0 FKABRO COc1cc2cccnc2c(NCCCCCCC[C@H]2CCCC[NH2+]2)c1 ZINC000001640923 204014826 /nfs/dbraw/zinc/01/48/26/204014826.db2.gz HFSDPLBOZQMDFJ-IBGZPJMESA-N 1 0 355.526 5.138 40 0 FKABRO O=C(OCC[N@@H+]1CCCC12CCCCC2)[C@@H](c1ccccc1)[C@@H]1C=CCC1 ZINC000001641380 210364389 /nfs/dbraw/zinc/36/43/89/210364389.db2.gz DMBOPNLNZCYIRI-YADHBBJMSA-N 1 0 367.533 5.078 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1ccc(Br)c(C)c1 ZINC000001644104 204014782 /nfs/dbraw/zinc/01/47/82/204014782.db2.gz MRSVNCAPTXUDBP-IBGZPJMESA-N 1 0 370.375 5.473 40 0 FKABRO Brc1ccc(C[N@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000001644105 570503614 /nfs/dbraw/zinc/50/36/14/570503614.db2.gz HSSYWJUCOZASCQ-UHFFFAOYSA-N 1 0 358.323 5.784 40 0 FKABRO CCC[C@@H](C)[N@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001644118 570503665 /nfs/dbraw/zinc/50/36/65/570503665.db2.gz JIXMWYDHDHDAHY-GOSISDBHSA-N 1 0 357.542 5.192 40 0 FKABRO O=C(CC[NH+]1CCCCC1)c1cc(-c2ccccc2)oc1-c1ccccc1 ZINC000001644120 204015349 /nfs/dbraw/zinc/01/53/49/204015349.db2.gz VYBXSGYQJZXXNH-UHFFFAOYSA-N 1 0 359.469 5.672 40 0 FKABRO CCC(=O)C(C[C@H](C)[NH+]1CCCCCC1)(c1ccccc1)c1ccccc1 ZINC000001646374 570503623 /nfs/dbraw/zinc/50/36/23/570503623.db2.gz UPZPEJYGCRTBQA-NRFANRHFSA-N 1 0 363.545 5.606 40 0 FKABRO CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)C[NH+]1CCCCCC1 ZINC000001646375 204016766 /nfs/dbraw/zinc/01/67/66/204016766.db2.gz ZBWMEOUDAZXGEW-OAQYLSRUSA-N 1 0 363.545 5.464 40 0 FKABRO O=C(OCC[N@@H+]1CCCC12CCCCC2)[C@H](c1ccccc1)C1CCCC1 ZINC000001648495 570503616 /nfs/dbraw/zinc/50/36/16/570503616.db2.gz DKVGJXPJIJUMMN-JOCHJYFZSA-N 1 0 369.549 5.302 40 0 FKABRO Cc1c2ccccn2c(-c2ccc(OCC[NH+](C)C)cc2)c1-c1ccccc1 ZINC000001650441 204015705 /nfs/dbraw/zinc/01/57/05/204015705.db2.gz AGCVPOVKAQCEKZ-UHFFFAOYSA-N 1 0 370.496 5.522 40 0 FKABRO CC1(C)CCC[N@@H+]1CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001655420 132382231 /nfs/dbraw/zinc/38/22/31/132382231.db2.gz JENZABRNBGEMCV-UHFFFAOYSA-N 1 0 372.965 6.207 40 0 FKABRO CCCC[C@@H](C)[N@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656124 210363889 /nfs/dbraw/zinc/36/38/89/210363889.db2.gz UICOCDFXIDXKNL-GOSISDBHSA-N 1 0 357.542 5.192 40 0 FKABRO COc1cc2cccnc2c(NCCC[NH+](CCC(C)C)CCC(C)C)c1 ZINC000001656154 210363851 /nfs/dbraw/zinc/36/38/51/210363851.db2.gz FQFFHYKRIDVWGP-UHFFFAOYSA-N 1 0 371.569 5.440 40 0 FKABRO C[NH+](C)Cc1c(C=C(c2ccccc2)c2ccccc2)ccc2ccccc21 ZINC000001662375 570503996 /nfs/dbraw/zinc/50/39/96/570503996.db2.gz KSEDUVDYCBVJBG-UHFFFAOYSA-N 1 0 363.504 6.490 40 0 FKABRO C[NH+](C)C1(C2c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 ZINC000001664118 263144309 /nfs/dbraw/zinc/14/43/09/263144309.db2.gz ZAYWCBDWUNUZFP-UHFFFAOYSA-N 1 0 373.499 6.285 40 0 FKABRO O[C@H](c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001665688 570503943 /nfs/dbraw/zinc/50/39/43/570503943.db2.gz KBMSHLIYFNGBTH-RBUKOAKNSA-N 1 0 350.289 5.254 40 0 FKABRO O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001665689 210365034 /nfs/dbraw/zinc/36/50/34/210365034.db2.gz KBMSHLIYFNGBTH-RTBURBONSA-N 1 0 350.289 5.254 40 0 FKABRO O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001665690 210365880 /nfs/dbraw/zinc/36/58/80/210365880.db2.gz KBMSHLIYFNGBTH-OALUTQOASA-N 1 0 350.289 5.254 40 0 FKABRO O[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001665691 210365721 /nfs/dbraw/zinc/36/57/21/210365721.db2.gz KBMSHLIYFNGBTH-MOPGFXCFSA-N 1 0 350.289 5.254 40 0 FKABRO CC[NH+](CC)Cc1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000001665701 204016507 /nfs/dbraw/zinc/01/65/07/204016507.db2.gz PAKFQTNZLCWULY-XMMPIXPASA-N 1 0 372.512 5.565 40 0 FKABRO c1ccc2sc(SC[NH+](C3CCCCC3)C3CCCCC3)nc2c1 ZINC000001666225 210365498 /nfs/dbraw/zinc/36/54/98/210365498.db2.gz WSADMJNRWCWRJT-UHFFFAOYSA-N 1 0 360.592 6.313 40 0 in-vitro FKABRO CC[NH+](CC)c1ccc(N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000001666865 570503950 /nfs/dbraw/zinc/50/39/50/570503950.db2.gz OEDDKYYTZPXGJB-BJKOFHAPSA-N 1 0 360.501 5.420 40 0 FKABRO CC[NH+](CC)c1ccc(N[C@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000001666866 210365338 /nfs/dbraw/zinc/36/53/38/210365338.db2.gz OEDDKYYTZPXGJB-DNQXCXABSA-N 1 0 360.501 5.420 40 0 FKABRO CC[NH+](CC)c1ccc(N[C@@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000001666867 570504141 /nfs/dbraw/zinc/50/41/41/570504141.db2.gz OEDDKYYTZPXGJB-ZEQRLZLVSA-N 1 0 360.501 5.420 40 0 FKABRO CC[NH+](CC)c1ccc(N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000001666868 570503956 /nfs/dbraw/zinc/50/39/56/570503956.db2.gz OEDDKYYTZPXGJB-RPWUZVMVSA-N 1 0 360.501 5.420 40 0 FKABRO COc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1C[NH2+]CC(C)C ZINC000001666894 570503947 /nfs/dbraw/zinc/50/39/47/570503947.db2.gz USRDQHSOXIBJCN-UHFFFAOYSA-N 1 0 369.896 5.386 40 0 FKABRO C[NH2+]C1(C2c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 ZINC000001667082 570503990 /nfs/dbraw/zinc/50/39/90/570503990.db2.gz DUYXBOJVOSYSMS-UHFFFAOYSA-N 1 0 359.472 5.943 40 0 FKABRO CC[NH+](CC)C[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000001670735 570503940 /nfs/dbraw/zinc/50/39/40/570503940.db2.gz FOPPHWOMVMHHTN-XMMPIXPASA-N 1 0 359.513 5.048 40 0 FKABRO O[C@@H](C[NH+](C1CCCCC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000001671902 570503939 /nfs/dbraw/zinc/50/39/39/570503939.db2.gz CROCJYHTHUTVOA-FQEVSTJZSA-N 1 0 370.364 5.994 40 0 FKABRO c1ccc(CC[N@@H+]2CC[C@H](COC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000001672570 570503937 /nfs/dbraw/zinc/50/39/37/570503937.db2.gz UFVNAHDXHDOAGK-QHCPKHFHSA-N 1 0 371.524 5.357 40 0 FKABRO CCCC[C@@H](CC)C(=O)[C@@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000001675622 204016087 /nfs/dbraw/zinc/01/60/87/204016087.db2.gz UGVNESXSYFEYCH-YKSBVNFPSA-N 1 0 366.549 5.105 40 0 FKABRO CCCC[C@H](CC)C(=O)[C@@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000001675623 570504552 /nfs/dbraw/zinc/50/45/52/570504552.db2.gz UGVNESXSYFEYCH-RDPSFJRHSA-N 1 0 366.549 5.105 40 0 FKABRO CCCC[C@@H](CC)C(=O)[C@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000001675624 210365997 /nfs/dbraw/zinc/36/59/97/210365997.db2.gz UGVNESXSYFEYCH-HYBUGGRVSA-N 1 0 366.549 5.105 40 0 FKABRO CCCC[C@H](CC)C(=O)[C@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000001675625 570504302 /nfs/dbraw/zinc/50/43/02/570504302.db2.gz UGVNESXSYFEYCH-GBXCKJPGSA-N 1 0 366.549 5.105 40 0 FKABRO CC[NH+](CC)CCSC(=S)N1c2ccccc2Sc2ccccc21 ZINC000001678384 535567290 /nfs/dbraw/zinc/56/72/90/535567290.db2.gz MICZDVBNDKRSSR-UHFFFAOYSA-N 1 0 374.600 5.649 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1ccc2c3c(cccc31)CC2 ZINC000001683278 204017553 /nfs/dbraw/zinc/01/75/53/204017553.db2.gz OHQWHKWENCMAMO-QHCPKHFHSA-N 1 0 353.550 5.654 40 0 FKABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(CCc2ccccc2)cc1 ZINC000001687295 204017376 /nfs/dbraw/zinc/01/73/76/204017376.db2.gz CTGMNONNCMJGGN-DEOSSOPVSA-N 1 0 353.550 5.407 40 0 FKABRO CCCC[C@](O)(Cc1ccccc1)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000001691529 210366207 /nfs/dbraw/zinc/36/62/07/210366207.db2.gz OAVGLAGXOWRQPK-DEOSSOPVSA-N 1 0 369.549 5.028 40 0 FKABRO CC[NH+](CC)CCOc1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000001691531 210366089 /nfs/dbraw/zinc/36/60/89/210366089.db2.gz LEIJNEVWCFJAFF-UHFFFAOYSA-N 1 0 369.508 5.977 40 0 FKABRO C[NH+](C)CCCN1c2ccccc2Sc2c(Cl)cc(Cl)cc21 ZINC000001692924 535833706 /nfs/dbraw/zinc/83/37/06/535833706.db2.gz BRABGWAAPWTHSE-UHFFFAOYSA-N 1 0 353.318 5.548 40 0 FKABRO Brc1ccc(C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001700107 570504688 /nfs/dbraw/zinc/50/46/88/570504688.db2.gz PESQPPCLVABNSP-UHFFFAOYSA-N 1 0 366.302 5.652 40 0 FKABRO CCCC[NH+](CCCC)CC(C)(C)[C@H](O)c1ccc(OC)c2ccccc21 ZINC000001706304 570504964 /nfs/dbraw/zinc/50/49/64/570504964.db2.gz MOCVRJMWAFRPGX-HSZRJFAPSA-N 1 0 371.565 5.810 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1c(Cl)ccc2ccccc21 ZINC000001706390 570504708 /nfs/dbraw/zinc/50/47/08/570504708.db2.gz NNZXYEMCKNJDJY-NRFANRHFSA-N 1 0 361.957 6.209 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1ccc(Cl)c2ccccc21 ZINC000001706391 210367262 /nfs/dbraw/zinc/36/72/62/210367262.db2.gz ZWESMUVWWIABJU-QFIPXVFZSA-N 1 0 361.957 6.209 40 0 FKABRO CC[NH+](CC)CCCN(c1ccccc1)c1ccnc2cc(Cl)ccc21 ZINC000001706859 570504970 /nfs/dbraw/zinc/50/49/70/570504970.db2.gz WOJXSOLBHVTVRG-UHFFFAOYSA-N 1 0 367.924 5.758 40 0 FKABRO CC[NH+](CC)CCCN[C@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000001708587 570505098 /nfs/dbraw/zinc/50/50/98/570505098.db2.gz RQPAJRYWENSZNR-CQSZACIVSA-N 1 0 372.167 5.073 40 0 FKABRO CC[C@@H](COC(=O)C(c1ccccc1)c1ccccc1)[NH2+]C1CCCCC1 ZINC000001710588 570505122 /nfs/dbraw/zinc/50/51/22/570505122.db2.gz CCXSAEHBOIKXRL-NRFANRHFSA-N 1 0 365.517 5.063 40 0 FKABRO C[C@H](c1cccc(Nc2ccnc3cc(Cl)ccc32)c1)[NH+]1CCCC1 ZINC000001710683 570505193 /nfs/dbraw/zinc/50/51/93/570505193.db2.gz JYLXDTRVBITDJY-OAHLLOKOSA-N 1 0 351.881 5.789 40 0 FKABRO CCCCSc1ccc([C@H](SCCC[NH+](C)C)c2ccccc2)cc1 ZINC000001713954 570505531 /nfs/dbraw/zinc/50/55/31/570505531.db2.gz WEHYHSKAZGAQTI-JOCHJYFZSA-N 1 0 373.631 6.353 40 0 FKABRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1COC(=O)c1cccc(Cl)c1 ZINC000001716185 570505537 /nfs/dbraw/zinc/50/55/37/570505537.db2.gz MIYNVVIJXDGXRU-INIZCTEOSA-N 1 0 357.881 5.071 40 0 FKABRO Cc1cccc2c1[nH+]c1c(c2N2CCN(c3ccccc3)CC2)CCCCC1 ZINC000001718140 132382406 /nfs/dbraw/zinc/38/24/06/132382406.db2.gz ICNGMTAVAMARSV-UHFFFAOYSA-N 1 0 371.528 5.139 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1ccc(OC)c2ccccc21 ZINC000001718282 210368038 /nfs/dbraw/zinc/36/80/38/210368038.db2.gz DBWFGYRRXMOPNZ-QFIPXVFZSA-N 1 0 357.538 5.564 40 0 FKABRO CC[NH+](CC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1OC ZINC000001724568 204018421 /nfs/dbraw/zinc/01/84/21/204018421.db2.gz IWVGXLGDOQCARJ-UHFFFAOYSA-N 1 0 369.896 5.482 40 0 FKABRO C[N@@H+]1C(C)(C)C[C@@H](CN2c3ccccc3Sc3ccccc32)C1(C)C ZINC000001726053 132382416 /nfs/dbraw/zinc/38/24/16/132382416.db2.gz GNIWRJBESXYSHN-INIZCTEOSA-N 1 0 352.547 5.798 40 0 FKABRO C[N@@H+]1C(C)(C)C[C@H](CN2c3ccccc3Sc3ccccc32)C1(C)C ZINC000001726055 132382469 /nfs/dbraw/zinc/38/24/69/132382469.db2.gz GNIWRJBESXYSHN-MRXNPFEDSA-N 1 0 352.547 5.798 40 0 FKABRO C[NH+](C)CCSCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001726497 535919497 /nfs/dbraw/zinc/91/94/97/535919497.db2.gz YTQYOEICNWMLRZ-UHFFFAOYSA-N 1 0 364.967 5.238 40 0 FKABRO C[C@@H](CCC[N@H+](C)Cc1ccccc1)Nc1ccnc2cc(Cl)ccc21 ZINC000001727298 570505984 /nfs/dbraw/zinc/50/59/84/570505984.db2.gz WWYGIZAIIQNKMF-KRWDZBQOSA-N 1 0 367.924 5.601 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1ccc(Cl)c(C)c1Cl ZINC000001729522 204018856 /nfs/dbraw/zinc/01/88/56/204018856.db2.gz XZAYNBYDWJBGPA-SFHVURJKSA-N 1 0 360.369 6.018 40 0 FKABRO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2c(Cl)cc(Cl)cc12 ZINC000001729583 570506058 /nfs/dbraw/zinc/50/60/58/570506058.db2.gz NDMBIFUYJMVNEJ-ZDUSSCGKSA-N 1 0 354.325 5.464 40 0 FKABRO CC(C)Oc1ccc2c(c1)N(CC[C@H]1CCCC[NH2+]1)c1ccccc1S2 ZINC000001731585 535023796 /nfs/dbraw/zinc/02/37/96/535023796.db2.gz DNRXJFWDKALNBC-QGZVFWFLSA-N 1 0 368.546 5.609 40 0 FKABRO Cc1cc[n+](-c2c3ccccc3nc3c2CC(C)(C)c2ccccc2-3)cc1 ZINC000001744717 210368307 /nfs/dbraw/zinc/36/83/07/210368307.db2.gz ZBNDUDHUBIZVCM-UHFFFAOYSA-N 1 0 351.473 5.321 40 0 FKABRO C[NH+](C)CCC[C@]1(c2ccccc2)SC(C)(C)c2ccc(Cl)cc21 ZINC000001745348 570506232 /nfs/dbraw/zinc/50/62/32/570506232.db2.gz GTGALXALPOFVHS-OAQYLSRUSA-N 1 0 359.966 5.907 40 0 FKABRO C[NH+](C)CCC[C@@]1(c2cccc(Cl)c2)SC(C)(C)c2ccccc21 ZINC000001745352 210367723 /nfs/dbraw/zinc/36/77/23/210367723.db2.gz XXKSIEJHMBPUQD-NRFANRHFSA-N 1 0 359.966 5.907 40 0 FKABRO C[C@@H]([C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)[NH+](C)C ZINC000001758859 570506699 /nfs/dbraw/zinc/50/66/99/570506699.db2.gz IFPVPHDPCJQNOZ-CYFREDJKSA-N 1 0 373.496 5.053 40 0 FKABRO C[C@H]([C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)[NH+](C)C ZINC000001758861 570506607 /nfs/dbraw/zinc/50/66/07/570506607.db2.gz IFPVPHDPCJQNOZ-DVECYGJZSA-N 1 0 373.496 5.053 40 0 FKABRO C[C@@H]([C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)[NH+](C)C ZINC000001758863 570506807 /nfs/dbraw/zinc/50/68/07/570506807.db2.gz IFPVPHDPCJQNOZ-YADARESESA-N 1 0 373.496 5.053 40 0 FKABRO C[C@H]([C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)[NH+](C)C ZINC000001758865 570506681 /nfs/dbraw/zinc/50/66/81/570506681.db2.gz IFPVPHDPCJQNOZ-NTKDMRAZSA-N 1 0 373.496 5.053 40 0 FKABRO C[C@@H]([C@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)[NH+](C)C ZINC000001758880 570506753 /nfs/dbraw/zinc/50/67/53/570506753.db2.gz AWQGSQRZGAHTHE-XDHUDOTRSA-N 1 0 371.480 5.034 40 0 FKABRO C[C@H]([C@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)[NH+](C)C ZINC000001758882 570506745 /nfs/dbraw/zinc/50/67/45/570506745.db2.gz AWQGSQRZGAHTHE-OSPHWJPCSA-N 1 0 371.480 5.034 40 0 FKABRO C[C@@H]([C@@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)[NH+](C)C ZINC000001758884 210370031 /nfs/dbraw/zinc/37/00/31/210370031.db2.gz AWQGSQRZGAHTHE-BXKMTCNYSA-N 1 0 371.480 5.034 40 0 FKABRO C[C@H]([C@@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)[NH+](C)C ZINC000001758886 570506707 /nfs/dbraw/zinc/50/67/07/570506707.db2.gz AWQGSQRZGAHTHE-MZNJEOGPSA-N 1 0 371.480 5.034 40 0 FKABRO C[NH+](C)CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001758890 210368986 /nfs/dbraw/zinc/36/89/86/210368986.db2.gz DUXSZTVKCUAERV-HSZRJFAPSA-N 1 0 373.496 5.055 40 0 FKABRO C[C@H]([NH3+])c1ccc(OCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 ZINC000001761791 204017808 /nfs/dbraw/zinc/01/78/08/204017808.db2.gz CHNBJPJHVBOEGA-SFHVURJKSA-N 1 0 369.549 5.878 40 0 FKABRO CCCCc1ccc2[nH]c(C)c(C[NH+](CC(C)C)CC(C)C)c(=O)c2c1 ZINC000001788550 206896286 /nfs/dbraw/zinc/89/62/86/206896286.db2.gz CHBUCUYPQJRFGR-UHFFFAOYSA-N 1 0 356.554 5.293 40 0 FKABRO COc1ccc(Nc2nc(-c3ccccc3)[n+](-c3ccc(C)cc3)s2)cc1 ZINC000001821617 210371192 /nfs/dbraw/zinc/37/11/92/210371192.db2.gz XXGUKQQXCNUTEL-UHFFFAOYSA-O 1 0 374.489 5.147 40 0 FKABRO C[NH+](C)CCCN1c2cc(Cl)ccc2Sc2ccc3ccccc3c21 ZINC000001848282 535832893 /nfs/dbraw/zinc/83/28/93/535832893.db2.gz GJHLOEMEKKLWNC-UHFFFAOYSA-N 1 0 368.933 6.048 40 0 FKABRO CC(C)(C)c1nc(Nc2ccc(Cl)cc2)s[n+]1C=C(Cl)Cl ZINC000001953273 570643514 /nfs/dbraw/zinc/64/35/14/570643514.db2.gz GTXYUAPOLZLYDI-UHFFFAOYSA-O 1 0 363.721 5.359 40 0 FKABRO COc1ccc2c(c1)N(CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1S2 ZINC000002020011 536993655 /nfs/dbraw/zinc/99/36/55/536993655.db2.gz QOJDAWZHQLNKDR-INIZCTEOSA-N 1 0 354.519 5.172 40 0 in-man FKABRO C[NH+](C)CCC[C@@]1(c2ccccc2)SC(C)(C)c2ccc(Cl)cc21 ZINC000002035069 204024603 /nfs/dbraw/zinc/02/46/03/204024603.db2.gz GTGALXALPOFVHS-NRFANRHFSA-N 1 0 359.966 5.907 40 0 FKABRO CCCCSc1ccc([C@@H](SCCC[NH+](C)C)c2ccccc2)cc1 ZINC000002036505 570511903 /nfs/dbraw/zinc/51/19/03/570511903.db2.gz WEHYHSKAZGAQTI-QFIPXVFZSA-N 1 0 373.631 6.353 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1ccc(Br)c(C)c1 ZINC000002042965 219423981 /nfs/dbraw/zinc/42/39/81/219423981.db2.gz MRSVNCAPTXUDBP-LJQANCHMSA-N 1 0 370.375 5.473 40 0 FKABRO CC[NH+](CC)C[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000002043273 204025211 /nfs/dbraw/zinc/02/52/11/204025211.db2.gz FOPPHWOMVMHHTN-DEOSSOPVSA-N 1 0 359.513 5.048 40 0 FKABRO CCCC[C@@](O)(Cc1ccccc1)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000002043919 570511942 /nfs/dbraw/zinc/51/19/42/570511942.db2.gz OAVGLAGXOWRQPK-XMMPIXPASA-N 1 0 369.549 5.028 40 0 FKABRO CC[NH+](CC)C[C@@H](O)c1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000002045695 204024622 /nfs/dbraw/zinc/02/46/22/204024622.db2.gz MEXJERWEMCMHCL-RUZDIDTESA-N 1 0 370.496 5.430 40 0 FKABRO C[C@@H]([NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 ZINC000002262238 570517991 /nfs/dbraw/zinc/51/79/91/570517991.db2.gz LOSGSTOVRAKYCY-MISYRCLQSA-N 1 0 357.563 5.778 40 0 FKABRO Cc1ccc(-c2nc(N(C)c3ccccc3)s[n+]2-c2ccccc2)cc1 ZINC000002666201 571136690 /nfs/dbraw/zinc/13/66/90/571136690.db2.gz SHOFSTZYWGIDHA-UHFFFAOYSA-N 1 0 358.490 5.163 40 0 FKABRO CC[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000003018649 570656309 /nfs/dbraw/zinc/65/63/09/570656309.db2.gz AOUWTGIEFIEWFQ-SSUZURRFSA-N 1 0 371.524 5.719 40 0 FKABRO Cc1ccc(Nc2nc(-c3ccccc3)[n+](C=C(Cl)Cl)s2)cc1 ZINC000003176734 570656920 /nfs/dbraw/zinc/65/69/20/570656920.db2.gz MMJFOYDGDNERPZ-UHFFFAOYSA-O 1 0 363.293 5.383 40 0 FKABRO C[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000003998017 204117264 /nfs/dbraw/zinc/11/72/64/204117264.db2.gz XXNRZZXPXAFYRJ-JNSABCDYSA-N 1 0 357.497 5.328 40 0 FKABRO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000003998018 219532983 /nfs/dbraw/zinc/53/29/83/219532983.db2.gz XXNRZZXPXAFYRJ-LJYZBVLISA-N 1 0 357.497 5.328 40 0 FKABRO C[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000003998019 204116319 /nfs/dbraw/zinc/11/63/19/204116319.db2.gz XXNRZZXPXAFYRJ-YUSVDLJSSA-N 1 0 357.497 5.328 40 0 FKABRO CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4[NH2+]CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004023256 204118250 /nfs/dbraw/zinc/11/82/50/204118250.db2.gz SAWPPQLIWVGNDH-OBLMWKTISA-N 1 0 359.642 6.670 40 0 FKABRO CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4[NH2+]CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004023257 204118283 /nfs/dbraw/zinc/11/82/83/204118283.db2.gz SAWPPQLIWVGNDH-MCRWJAOQSA-N 1 0 359.642 6.670 40 0 FKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4[NH2+]CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004023258 204118343 /nfs/dbraw/zinc/11/83/43/204118343.db2.gz SAWPPQLIWVGNDH-QEOLLVQHSA-N 1 0 359.642 6.670 40 0 FKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4[NH2+]CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004023259 570573166 /nfs/dbraw/zinc/57/31/66/570573166.db2.gz SAWPPQLIWVGNDH-NLMLADRBSA-N 1 0 359.642 6.670 40 0 FKABRO C[C@@H]([NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000004028040 571293024 /nfs/dbraw/zinc/29/30/24/571293024.db2.gz GUYRJBUAYYRZRL-PTUXOGIPSA-N 1 0 351.534 5.716 40 0 FKABRO C[C@@H]([NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000004028041 210503780 /nfs/dbraw/zinc/50/37/80/210503780.db2.gz GUYRJBUAYYRZRL-UEVCKROQSA-N 1 0 351.534 5.716 40 0 FKABRO C[C@@H]([NH2+]CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000004028852 570663413 /nfs/dbraw/zinc/66/34/13/570663413.db2.gz RWXOIELWFZDPDK-FGCOXFRFSA-N 1 0 365.561 5.791 40 0 FKABRO C[C@@H]([NH2+]CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000004028854 206163099 /nfs/dbraw/zinc/16/30/99/206163099.db2.gz RWXOIELWFZDPDK-AGILITTLSA-N 1 0 365.561 5.791 40 0 FKABRO C[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004031306 570573570 /nfs/dbraw/zinc/57/35/70/570573570.db2.gz KVYUHOPVUTYJPS-UYGLSEIWSA-N 1 0 361.460 5.125 40 0 FKABRO C[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004031307 204118750 /nfs/dbraw/zinc/11/87/50/204118750.db2.gz KVYUHOPVUTYJPS-XECWOPBBSA-N 1 0 361.460 5.125 40 0 FKABRO C[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004031308 570573568 /nfs/dbraw/zinc/57/35/68/570573568.db2.gz KVYUHOPVUTYJPS-OWYCYUENSA-N 1 0 361.460 5.125 40 0 FKABRO Cc1ccc([C@@]2(CC[NH2+][C@@H](C)c3ccccc3)CCO[C@H](C(C)C)C2)cc1 ZINC000004043267 204119595 /nfs/dbraw/zinc/11/95/95/204119595.db2.gz NKGXTFCIHUTLTA-TUSQITKMSA-N 1 0 365.561 5.809 40 0 FKABRO Cc1ccc([C@@]2(CC[NH2+][C@@H](C)c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000004043275 204119584 /nfs/dbraw/zinc/11/95/84/204119584.db2.gz NKGXTFCIHUTLTA-GPUOULLFSA-N 1 0 365.561 5.809 40 0 FKABRO CCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@]1(O)CCC ZINC000004171225 207004686 /nfs/dbraw/zinc/00/46/86/207004686.db2.gz UCLGIKKXOIONJU-KGZUAYNTSA-N 1 0 351.534 5.656 40 0 FKABRO CCC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@]1(O)CCC ZINC000004171227 207004787 /nfs/dbraw/zinc/00/47/87/207004787.db2.gz UCLGIKKXOIONJU-GPDNFFQDSA-N 1 0 351.534 5.656 40 0 FKABRO c1ccc(Oc2ccc(Nc3c4c([nH+]c5ccccc53)CCC4)cc2)cc1 ZINC000004192752 571105851 /nfs/dbraw/zinc/10/58/51/571105851.db2.gz JBXIXGCPZMQLHE-UHFFFAOYSA-N 1 0 352.437 6.259 40 0 FKABRO C[C@@H](CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)C[NH+](C)C ZINC000004214555 132386546 /nfs/dbraw/zinc/38/65/46/132386546.db2.gz ILBBYVOOXMPNTM-CYBMUJFWSA-N 1 0 366.452 5.506 40 0 in-man FKABRO C[N@@H+](C/C=C/c1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000004215341 210516438 /nfs/dbraw/zinc/51/64/38/210516438.db2.gz QTKQVDXGCWKEHE-SDNWHVSQSA-N 1 0 357.497 5.438 40 0 in-man FKABRO CCOc1cc(-c2ccc(O)c(OC)c2)cc(OCC)c2c(C)[o+]c(C)c1-2 ZINC000004311184 570894937 /nfs/dbraw/zinc/89/49/37/570894937.db2.gz LUBMSECSEHCORK-UHFFFAOYSA-O 1 0 369.437 5.461 40 0 FKABRO CCCCOc1ccc([C@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004348628 570667670 /nfs/dbraw/zinc/66/76/70/570667670.db2.gz BTBXXZMSOPRQCC-ZEQRLZLVSA-N 1 0 367.533 5.169 40 0 FKABRO CCCCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004348631 209420429 /nfs/dbraw/zinc/42/04/29/209420429.db2.gz BTBXXZMSOPRQCC-BJKOFHAPSA-N 1 0 367.533 5.169 40 0 FKABRO CCCCOc1ccc([C@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004348633 570667660 /nfs/dbraw/zinc/66/76/60/570667660.db2.gz BTBXXZMSOPRQCC-RPWUZVMVSA-N 1 0 367.533 5.169 40 0 FKABRO CCCCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004348637 570667711 /nfs/dbraw/zinc/66/77/11/570667711.db2.gz BTBXXZMSOPRQCC-DNQXCXABSA-N 1 0 367.533 5.169 40 0 FKABRO CCCCCC[NH+](CCCCCC)CCCCCCCCCCCO ZINC000004353039 207016015 /nfs/dbraw/zinc/01/60/15/207016015.db2.gz WFAJRMRCJZNFDX-UHFFFAOYSA-N 1 0 355.651 6.952 40 0 FKABRO CC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000004358285 206175292 /nfs/dbraw/zinc/17/52/92/206175292.db2.gz AOUWTGIEFIEWFQ-RSYZFUPGSA-N 1 0 371.524 5.719 40 0 FKABRO CC[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000004358288 570667031 /nfs/dbraw/zinc/66/70/31/570667031.db2.gz AOUWTGIEFIEWFQ-CQJMVLFOSA-N 1 0 371.524 5.719 40 0 FKABRO CC[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000004358291 570667273 /nfs/dbraw/zinc/66/72/73/570667273.db2.gz AOUWTGIEFIEWFQ-ZJSPYRCASA-N 1 0 371.524 5.719 40 0 FKABRO COc1cc2cccnc2c(NCCCCCCC[C@@H]2CCCC[NH2+]2)c1 ZINC000004365387 204135618 /nfs/dbraw/zinc/13/56/18/204135618.db2.gz HFSDPLBOZQMDFJ-LJQANCHMSA-N 1 0 355.526 5.138 40 0 FKABRO CCCC[N@H+](CC)CCCCCCCCCCN1CCCc2ccccc21 ZINC000004366805 570587339 /nfs/dbraw/zinc/58/73/39/570587339.db2.gz CLVLHSYFTVSSNG-UHFFFAOYSA-N 1 0 372.641 6.682 40 0 FKABRO CCCC[N@H+](CCC)CCCCCCCCCN1CCCc2ccccc21 ZINC000004366806 570587575 /nfs/dbraw/zinc/58/75/75/570587575.db2.gz RTCKAQJIICVMPU-UHFFFAOYSA-N 1 0 372.641 6.682 40 0 FKABRO CCCCCC[NH+](CCCCCC)CCCNc1nccc2ccccc21 ZINC000004404067 207018073 /nfs/dbraw/zinc/01/80/73/207018073.db2.gz WESMXNGVRUFBPI-UHFFFAOYSA-N 1 0 369.597 6.499 40 0 FKABRO O[C@H](C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)c1cc2c(c3ccccc31)CCCC2 ZINC000004409370 570590166 /nfs/dbraw/zinc/59/01/66/570590166.db2.gz UTZUPMNYTGCZNO-AYCKEJKLSA-N 1 0 363.545 5.407 40 0 FKABRO O[C@@H](C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)c1cc2c(c3ccccc31)CCCC2 ZINC000004409372 207018035 /nfs/dbraw/zinc/01/80/35/207018035.db2.gz UTZUPMNYTGCZNO-YWWLGCSWSA-N 1 0 363.545 5.407 40 0 FKABRO CCCC[NH+](CCCC)CCCOc1ccccc1Cc1ccccc1 ZINC000004411293 570590148 /nfs/dbraw/zinc/59/01/48/570590148.db2.gz INRONXVLOVLVMW-UHFFFAOYSA-N 1 0 353.550 5.949 40 0 FKABRO CCCCCC[NH+](CCCCCC)CC[C@H](O)c1ccc2ccccc2c1 ZINC000004416112 207018289 /nfs/dbraw/zinc/01/82/89/207018289.db2.gz UNMRNNPYWJZACC-VWLOTQADSA-N 1 0 369.593 6.726 40 0 FKABRO C[C@H]1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000004427714 207019614 /nfs/dbraw/zinc/01/96/14/207019614.db2.gz CTWBZPZGQUGJLG-FOVJLYNBSA-N 1 0 368.500 5.051 40 0 FKABRO CCCCCCc1ccc([C@@H](O)C[NH+](CCCCC)CCCCC)cc1 ZINC000004428774 219575246 /nfs/dbraw/zinc/57/52/46/219575246.db2.gz HMWWHLOFHWNWJO-DEOSSOPVSA-N 1 0 361.614 6.525 40 0 FKABRO C[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004477927 571293464 /nfs/dbraw/zinc/29/34/64/571293464.db2.gz AQYWHUJCPVLQLO-JSKMBAMBSA-N 1 0 371.524 5.414 40 0 FKABRO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004477928 204140647 /nfs/dbraw/zinc/14/06/47/204140647.db2.gz AQYWHUJCPVLQLO-IFKAHUTRSA-N 1 0 371.524 5.414 40 0 FKABRO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004477952 204140799 /nfs/dbraw/zinc/14/07/99/204140799.db2.gz YRMXCILLNZAXNX-RSCYBXQCSA-N 1 0 371.524 5.318 40 0 FKABRO C[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004477953 204141374 /nfs/dbraw/zinc/14/13/74/204141374.db2.gz YRMXCILLNZAXNX-SXHPWKJGSA-N 1 0 371.524 5.318 40 0 FKABRO C[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004477954 204140566 /nfs/dbraw/zinc/14/05/66/204140566.db2.gz YRMXCILLNZAXNX-WNLYKICVSA-N 1 0 371.524 5.318 40 0 FKABRO CCCCC[NH+](CCCCC)CCNc1cc(OC)cc2cccnc21 ZINC000004522430 204144706 /nfs/dbraw/zinc/14/47/06/204144706.db2.gz LWSYWDCAZURHPN-UHFFFAOYSA-N 1 0 357.542 5.338 40 0 FKABRO CCCCN(CCCC)c1cc(C(=O)CCCCC[NH3+])c2ccccc2n1 ZINC000004537177 207025924 /nfs/dbraw/zinc/02/59/24/207025924.db2.gz FTLQWRZJJPKFIL-UHFFFAOYSA-N 1 0 369.553 5.343 40 0 FKABRO O=C(OCC[N@@H+]1CCCC12CCCCC2)[C@@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004538930 570595485 /nfs/dbraw/zinc/59/54/85/570595485.db2.gz DMBOPNLNZCYIRI-VXKWHMMOSA-N 1 0 367.533 5.078 40 0 FKABRO O=C(OCC[N@@H+]1CCCC12CCCCC2)[C@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004538934 207026873 /nfs/dbraw/zinc/02/68/73/207026873.db2.gz DMBOPNLNZCYIRI-FCHUYYIVSA-N 1 0 367.533 5.078 40 0 FKABRO O=C(OCC[N@@H+]1CCCC12CCCCC2)[C@H](c1ccccc1)[C@@H]1C=CCC1 ZINC000004538938 570595648 /nfs/dbraw/zinc/59/56/48/570595648.db2.gz DMBOPNLNZCYIRI-FGZHOGPDSA-N 1 0 367.533 5.078 40 0 FKABRO C[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555390 207028147 /nfs/dbraw/zinc/02/81/47/207028147.db2.gz NDHOPVCXDQDCPC-JNSABCDYSA-N 1 0 357.497 5.072 40 0 FKABRO C[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555392 204146816 /nfs/dbraw/zinc/14/68/16/204146816.db2.gz NDHOPVCXDQDCPC-YUSVDLJSSA-N 1 0 357.497 5.072 40 0 FKABRO CCCCOc1ccc(C(=O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004577727 570668478 /nfs/dbraw/zinc/66/84/78/570668478.db2.gz QWQUZZQJNYOOBQ-QHCPKHFHSA-N 1 0 365.517 5.318 40 0 FKABRO CCCCOc1ccc(C(=O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004577728 570668450 /nfs/dbraw/zinc/66/84/50/570668450.db2.gz QWQUZZQJNYOOBQ-HSZRJFAPSA-N 1 0 365.517 5.318 40 0 FKABRO C[C@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000004652813 204151367 /nfs/dbraw/zinc/15/13/67/204151367.db2.gz YOCSCRSTBWZYLM-JCTBDJSQSA-N 1 0 350.289 5.012 40 0 FKABRO C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000004652814 207034917 /nfs/dbraw/zinc/03/49/17/207034917.db2.gz YOCSCRSTBWZYLM-LVSUZTCWSA-N 1 0 350.289 5.012 40 0 FKABRO C[C@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000004652815 570906206 /nfs/dbraw/zinc/90/62/06/570906206.db2.gz YOCSCRSTBWZYLM-PMDBGEGLSA-N 1 0 350.289 5.012 40 0 FKABRO C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000004652816 570906208 /nfs/dbraw/zinc/90/62/08/570906208.db2.gz YOCSCRSTBWZYLM-BMEPFDOTSA-N 1 0 350.289 5.012 40 0 FKABRO CCCCC/C=C/C/C=C/CCCCCCCC1=[NH+]C(C)(C)CN1C(C)C ZINC000004683553 570600521 /nfs/dbraw/zinc/60/05/21/570600521.db2.gz FJQBQHDALVQQQD-IWCZYTNJSA-N 1 0 374.657 7.701 40 0 FKABRO CCCCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000004712851 570670701 /nfs/dbraw/zinc/67/07/01/570670701.db2.gz ZOERYLZCLDLETJ-TZYAJKAJSA-N 1 0 365.561 6.046 40 0 FKABRO COc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC)cc3)[N@@H+]2C)cc1 ZINC000004777734 204162525 /nfs/dbraw/zinc/16/25/25/204162525.db2.gz LGWKVDLUCCAJJF-SZPZYZBQSA-N 1 0 367.533 5.122 40 0 FKABRO COc1ccc(CC[C@H]2CCC[C@H](CCc3ccc(OC)cc3)[NH+]2C)cc1 ZINC000004777735 570606027 /nfs/dbraw/zinc/60/60/27/570606027.db2.gz LGWKVDLUCCAJJF-FGZHOGPDSA-N 1 0 367.533 5.122 40 0 FKABRO COc1ccc(CC[C@@H]2CCC[C@@H](CCc3ccc(OC)cc3)[NH+]2C)cc1 ZINC000004777736 570606092 /nfs/dbraw/zinc/60/60/92/570606092.db2.gz LGWKVDLUCCAJJF-VXKWHMMOSA-N 1 0 367.533 5.122 40 0 FKABRO CCCCCC[C@@H]1CCCC[N@@H+]1[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004783042 570606684 /nfs/dbraw/zinc/60/66/84/570606684.db2.gz UPRLEOWAUPIIKX-DSNGMDLFSA-N 1 0 365.561 6.286 40 0 FKABRO CCCCCC[C@H]1CCCC[N@@H+]1[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004783043 570606795 /nfs/dbraw/zinc/60/67/95/570606795.db2.gz UPRLEOWAUPIIKX-CCDWMCETSA-N 1 0 365.561 6.286 40 0 FKABRO c1ccc(CC[N@@H+]2CC[C@@H](COC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000004792338 204164911 /nfs/dbraw/zinc/16/49/11/204164911.db2.gz UFVNAHDXHDOAGK-HSZRJFAPSA-N 1 0 371.524 5.357 40 0 FKABRO CCC[N+]1=C(/C=C\c2ccc3cccnc3c2O)C(C)(C)c2ccccc21 ZINC000004822581 204166471 /nfs/dbraw/zinc/16/64/71/204166471.db2.gz ITIQTLRYDVCGAT-UHFFFAOYSA-O 1 0 357.477 5.440 40 0 FKABRO Cc1ccccc1N1CCN(c2c3ccccc3[nH+]c3c2CCCCC3)CC1 ZINC000004823133 570608721 /nfs/dbraw/zinc/60/87/21/570608721.db2.gz YZFKSNWHDXQNNU-UHFFFAOYSA-N 1 0 371.528 5.139 40 0 FKABRO CC[N+]1=C(/C=C\c2cc(C)c3cccnc3c2O)C(C)(C)c2ccccc21 ZINC000004824031 207052661 /nfs/dbraw/zinc/05/26/61/207052661.db2.gz KGBUBMOFRYAHRZ-UHFFFAOYSA-O 1 0 357.477 5.358 40 0 FKABRO CCC[N+]1=C(/C=C\c2cc(C)c3cccnc3c2O)C(C)(C)c2ccccc21 ZINC000004824032 219609856 /nfs/dbraw/zinc/60/98/56/219609856.db2.gz LBCZMMPJNNAQMI-UHFFFAOYSA-O 1 0 371.504 5.748 40 0 FKABRO Cc1cccc2c1[N+](C)=C(/C=C\c1cc(C)c3cccnc3c1O)C2(C)C ZINC000004824036 204167209 /nfs/dbraw/zinc/16/72/09/204167209.db2.gz OEVCEUGMDHKWCQ-UHFFFAOYSA-O 1 0 357.477 5.277 40 0 FKABRO Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1 ZINC000004887638 570672630 /nfs/dbraw/zinc/67/26/30/570672630.db2.gz BTUHIRZCYMKQSQ-VCSGRIEYSA-N 1 0 369.553 5.143 40 0 FKABRO CCO[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896290 204172700 /nfs/dbraw/zinc/17/27/00/204172700.db2.gz CPLHRXMRMDSXNE-JWQCQUIFSA-N 1 0 373.496 5.150 40 0 FKABRO CCO[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896291 570612362 /nfs/dbraw/zinc/61/23/62/570612362.db2.gz CPLHRXMRMDSXNE-RPBOFIJWSA-N 1 0 373.496 5.150 40 0 FKABRO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 ZINC000004898345 204173634 /nfs/dbraw/zinc/17/36/34/204173634.db2.gz WPGSJVUKSMYCJB-RXOJSBQBSA-N 1 0 357.497 5.232 40 0 FKABRO C[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 ZINC000004898347 204173723 /nfs/dbraw/zinc/17/37/23/204173723.db2.gz WPGSJVUKSMYCJB-DOEPBTEJSA-N 1 0 357.497 5.232 40 0 FKABRO C[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 ZINC000004898349 570916130 /nfs/dbraw/zinc/91/61/30/570916130.db2.gz WPGSJVUKSMYCJB-URXVPBNYSA-N 1 0 357.497 5.232 40 0 FKABRO C[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 ZINC000004898351 570916024 /nfs/dbraw/zinc/91/60/24/570916024.db2.gz WPGSJVUKSMYCJB-WJNSRDFLSA-N 1 0 357.497 5.232 40 0 FKABRO C[C@@H]([NH2+]CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 ZINC000004898469 570612869 /nfs/dbraw/zinc/61/28/69/570612869.db2.gz KXPJSSIVKJYOLN-HLAWJBBLSA-N 1 0 371.590 5.853 40 0 FKABRO C[C@@H]([NH2+]CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 ZINC000004898472 570612775 /nfs/dbraw/zinc/61/27/75/570612775.db2.gz KXPJSSIVKJYOLN-HMXCVIKNSA-N 1 0 371.590 5.853 40 0 FKABRO c1ccc([C@H]2C3=C(c4ccccc4CC3)[N@H+]3CCO[C@]34CCCC[C@@H]24)cc1 ZINC000004899206 204173206 /nfs/dbraw/zinc/17/32/06/204173206.db2.gz CKZZOIDHUAISOG-LSQMVHIFSA-N 1 0 357.497 5.360 40 0 FKABRO c1ccc([C@H]2C3=C(c4ccccc4CC3)[N@H+]3CCO[C@]34CCCC[C@H]24)cc1 ZINC000004899208 204173714 /nfs/dbraw/zinc/17/37/14/204173714.db2.gz CKZZOIDHUAISOG-CUYJMHBOSA-N 1 0 357.497 5.360 40 0 FKABRO C[NH+](C)Cc1c2ccccc2ccc1C(O)(c1ccccc1)c1ccccc1 ZINC000004900407 204174580 /nfs/dbraw/zinc/17/45/80/204174580.db2.gz AZGYMVDNGZKTCZ-UHFFFAOYSA-N 1 0 367.492 5.186 40 0 FKABRO C[C@@H]([NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 ZINC000004902998 570612751 /nfs/dbraw/zinc/61/27/51/570612751.db2.gz LOSGSTOVRAKYCY-RLLQIKCJSA-N 1 0 357.563 5.778 40 0 FKABRO Cc1ccc2ccccc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004903235 206186057 /nfs/dbraw/zinc/18/60/57/206186057.db2.gz LQMBIHLHLZTQQO-UHFFFAOYSA-N 1 0 372.512 5.041 40 0 FKABRO Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1Cc1ccccc1F ZINC000004932936 209432304 /nfs/dbraw/zinc/43/23/04/209432304.db2.gz BWWKNRZYEXVORV-UHFFFAOYSA-N 1 0 357.452 5.132 40 0 FKABRO C[n+]1ccccc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000004933009 570674258 /nfs/dbraw/zinc/67/42/58/570674258.db2.gz PKIUEZARCIXOPC-UHFFFAOYSA-N 1 0 363.484 6.151 40 0 FKABRO Clc1ccc(/C(=C\C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934876 570613921 /nfs/dbraw/zinc/61/39/21/570613921.db2.gz RHKSEYVTQFZACE-HNGNLUIFSA-N 1 0 351.921 5.894 40 0 FKABRO O[C@](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000004934877 204178582 /nfs/dbraw/zinc/17/85/82/204178582.db2.gz KLWHJONHJZVCLM-SFYKDHMMSA-N 1 0 369.936 5.088 40 0 FKABRO C[NH+](C)Cc1cc2ccccc2cc1C(O)(c1ccccc1)c1ccccc1 ZINC000004975102 207067659 /nfs/dbraw/zinc/06/76/59/207067659.db2.gz KAGLERNGBFSYRF-UHFFFAOYSA-N 1 0 367.492 5.186 40 0 FKABRO C[n+]1ccccc1/C=C/c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000005002326 219638186 /nfs/dbraw/zinc/63/81/86/219638186.db2.gz YHDOHOFUEIROAD-VAWYXSNFSA-N 1 0 356.367 5.493 40 0 FKABRO CC(C)Oc1ccc2c(c1)N(CC[C@@H]1CCCC[NH2+]1)c1ccccc1S2 ZINC000005011698 570617977 /nfs/dbraw/zinc/61/79/77/570617977.db2.gz DNRXJFWDKALNBC-KRWDZBQOSA-N 1 0 368.546 5.609 40 0 FKABRO Cc1ccc([C@@]2(CC[NH2+][C@@H](C)c3cccs3)CCO[C@H](C(C)C)C2)cc1 ZINC000005032896 207073440 /nfs/dbraw/zinc/07/34/40/207073440.db2.gz CGUCFXKLVWDOLG-RRPUWOKSSA-N 1 0 371.590 5.870 40 0 FKABRO Cc1ccc([C@@]2(CC[NH2+][C@@H](C)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 ZINC000005032903 570618848 /nfs/dbraw/zinc/61/88/48/570618848.db2.gz CGUCFXKLVWDOLG-WPYKKVEZSA-N 1 0 371.590 5.870 40 0 FKABRO CCCC[C@@](O)(c1ccccc1)[C@@H]1C[N@@H+](C(C)(C)C)[C@@H]1c1ccccc1 ZINC000005045989 204187272 /nfs/dbraw/zinc/18/72/72/204187272.db2.gz JGHGHADLIVEPGD-CQOQZXRMSA-N 1 0 351.534 5.536 40 0 FKABRO CCCC[C@](O)(c1ccccc1)[C@@H]1C[N@@H+](C(C)(C)C)[C@@H]1c1ccccc1 ZINC000005045990 204187418 /nfs/dbraw/zinc/18/74/18/204187418.db2.gz JGHGHADLIVEPGD-AKFKNWHVSA-N 1 0 351.534 5.536 40 0 FKABRO CCCC[C@@](O)(c1ccccc1)[C@H]1C[N@@H+](C(C)(C)C)[C@@H]1c1ccccc1 ZINC000005045991 204187187 /nfs/dbraw/zinc/18/71/87/204187187.db2.gz JGHGHADLIVEPGD-WMTXJRDZSA-N 1 0 351.534 5.536 40 0 FKABRO CCCC[C@](O)(c1ccccc1)[C@H]1C[N@@H+](C(C)(C)C)[C@@H]1c1ccccc1 ZINC000005045992 570619152 /nfs/dbraw/zinc/61/91/52/570619152.db2.gz JGHGHADLIVEPGD-ZDXQCDESSA-N 1 0 351.534 5.536 40 0 FKABRO CCOc1ccc2c(ccc(/C=C\c3ccc(O)c4ccccc34)[n+]2C)c1 ZINC000005049316 204187696 /nfs/dbraw/zinc/18/76/96/204187696.db2.gz YSGBQZKPTJTFPJ-UHFFFAOYSA-O 1 0 356.445 5.092 40 0 FKABRO CC[NH+](CC)CCC[C@@H](C)Nc1nccc(/C=C\c2ccc(Cl)cc2)n1 ZINC000005121142 204193697 /nfs/dbraw/zinc/19/36/97/204193697.db2.gz DLTXCRZUQNDKJW-OJNOIJSXSA-N 1 0 372.944 5.223 40 0 FKABRO CC[NH+](CC)CCC[C@H](C)Nc1nccc(/C=C\c2ccc(Cl)cc2)n1 ZINC000005121143 570621709 /nfs/dbraw/zinc/62/17/09/570621709.db2.gz DLTXCRZUQNDKJW-QFSNBGPKSA-N 1 0 372.944 5.223 40 0 FKABRO C[NH+](C)CCC[C@]1(c2cccc(Cl)c2)SC(C)(C)c2ccccc21 ZINC000005181198 570621991 /nfs/dbraw/zinc/62/19/91/570621991.db2.gz XXKSIEJHMBPUQD-OAQYLSRUSA-N 1 0 359.966 5.907 40 0 FKABRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1COC(=O)c1cccc(Cl)c1 ZINC000005187363 570621948 /nfs/dbraw/zinc/62/19/48/570621948.db2.gz MIYNVVIJXDGXRU-MRXNPFEDSA-N 1 0 357.881 5.071 40 0 FKABRO O[C@@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1)[N@H+](C/C=C/c1ccccc1)CC2 ZINC000005192293 207085796 /nfs/dbraw/zinc/08/57/96/207085796.db2.gz WJIDANGHKXCJLA-RBCXQPIPSA-N 1 0 365.492 5.207 40 0 FKABRO CC(C)CC[C@@H](CC[NH2+][C@@H](C)c1cccs1)[C@@H]1CCOC(C)(C)C1 ZINC000005266744 570955554 /nfs/dbraw/zinc/95/55/54/570955554.db2.gz LUPYCHXACSWWHP-GBESFXJTSA-N 1 0 351.600 6.046 40 0 FKABRO CC(C)CC[C@@H](CC[NH2+][C@H](C)c1cccs1)[C@@H]1CCOC(C)(C)C1 ZINC000005266749 204200247 /nfs/dbraw/zinc/20/02/47/204200247.db2.gz LUPYCHXACSWWHP-CEXWTWQISA-N 1 0 351.600 6.046 40 0 FKABRO C=C[n+]1c(-c2ccccc2)cc(-c2ccccc2)c2c1-c1ccccc1CC2 ZINC000005283239 207091747 /nfs/dbraw/zinc/09/17/47/207091747.db2.gz IXROMOZKRYJJKQ-UHFFFAOYSA-N 1 0 360.480 6.174 40 0 FKABRO CCCC[n+]1c(C(C)(C)C)cc(-c2ccccc2)c2c1-c1ccccc1CC2 ZINC000005310271 570956886 /nfs/dbraw/zinc/95/68/86/570956886.db2.gz IVGFPYKRLYVZOJ-UHFFFAOYSA-N 1 0 370.560 6.504 40 0 FKABRO Cc1cccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2C(C)C)n1 ZINC000005331078 570957635 /nfs/dbraw/zinc/95/76/35/570957635.db2.gz IRRHLJKOZRXOME-UHFFFAOYSA-N 1 0 365.500 6.124 40 0 FKABRO Cc1ccc2c(c1)-c1c(ssc1=[S+]Cc1ccccc1)C(C)(C)N2 ZINC000005334287 570957601 /nfs/dbraw/zinc/95/76/01/570957601.db2.gz FNZIJAMDOITCGF-UHFFFAOYSA-N 1 0 370.588 7.019 40 0 FKABRO CCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1[C@H](C)CC ZINC000005336995 570957612 /nfs/dbraw/zinc/95/76/12/570957612.db2.gz QFSPYTBQZVTOJV-GOSISDBHSA-N 1 0 360.477 5.456 40 0 FKABRO CC[C@@H](C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005337003 571214177 /nfs/dbraw/zinc/21/41/77/571214177.db2.gz IVYBUKQFBOFYFZ-OAQYLSRUSA-N 1 0 364.512 6.946 40 0 FKABRO CCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1[C@@H](C)CC ZINC000005337367 570957576 /nfs/dbraw/zinc/95/75/76/570957576.db2.gz QFSPYTBQZVTOJV-SFHVURJKSA-N 1 0 360.477 5.456 40 0 FKABRO CC[C@H](C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005337373 210229952 /nfs/dbraw/zinc/22/99/52/210229952.db2.gz IVYBUKQFBOFYFZ-NRFANRHFSA-N 1 0 364.512 6.946 40 0 FKABRO CN(C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005342349 570957603 /nfs/dbraw/zinc/95/76/03/570957603.db2.gz FDHUVAVEDLMIPD-UHFFFAOYSA-N 1 0 351.473 5.173 40 0 FKABRO CC[C@@]1(C)C[C@@](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 ZINC000005477813 204210597 /nfs/dbraw/zinc/21/05/97/204210597.db2.gz FRRPVDBEADNXFW-YYWHXJBOSA-N 1 0 351.962 6.002 40 0 FKABRO CC[C@@]1(C)C[C@](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 ZINC000005477815 204210636 /nfs/dbraw/zinc/21/06/36/204210636.db2.gz FRRPVDBEADNXFW-DZFGPLHGSA-N 1 0 351.962 6.002 40 0 FKABRO CC[NH+](CC)c1ccc(N[C@@H](C[C@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000005479662 570628290 /nfs/dbraw/zinc/62/82/90/570628290.db2.gz ARVBGCIWRJWUQE-DQEYMECFSA-N 1 0 374.528 5.810 40 0 FKABRO CC[NH+](CC)c1ccc(N[C@H](C[C@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000005479663 570628257 /nfs/dbraw/zinc/62/82/57/570628257.db2.gz ARVBGCIWRJWUQE-RPBOFIJWSA-N 1 0 374.528 5.810 40 0 FKABRO CC[NH+](CC)c1ccc(N[C@@H](C[C@@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000005479664 204211213 /nfs/dbraw/zinc/21/12/13/204211213.db2.gz ARVBGCIWRJWUQE-LOSJGSFVSA-N 1 0 374.528 5.810 40 0 FKABRO CC[NH+](CC)c1ccc(N[C@H](C[C@@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000005479665 204210663 /nfs/dbraw/zinc/21/06/63/204210663.db2.gz ARVBGCIWRJWUQE-JWQCQUIFSA-N 1 0 374.528 5.810 40 0 FKABRO c1ccc(-c2cc(-c3ccccc3)[n+](C3CC3)c3c2CCc2ccccc2-3)cc1 ZINC000005490607 570961130 /nfs/dbraw/zinc/96/11/30/570961130.db2.gz XCOHGMHRRKBAGF-UHFFFAOYSA-N 1 0 374.507 6.409 40 0 FKABRO CCC(=O)C(C[C@@H](C)[NH+]1CCCCCC1)(c1ccccc1)c1ccccc1 ZINC000005497829 219684638 /nfs/dbraw/zinc/68/46/38/219684638.db2.gz UPZPEJYGCRTBQA-OAQYLSRUSA-N 1 0 363.545 5.606 40 0 FKABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccnc2c(Cl)cc(Cl)cc12 ZINC000005499209 570628721 /nfs/dbraw/zinc/62/87/21/570628721.db2.gz KKIDSYHNLHKVRP-GOSISDBHSA-N 1 0 369.336 5.477 40 0 FKABRO CCCCCCc1ccc([C@H](O)C[NH+](CCCCC)CCCCC)cc1 ZINC000005524340 570629315 /nfs/dbraw/zinc/62/93/15/570629315.db2.gz HMWWHLOFHWNWJO-XMMPIXPASA-N 1 0 361.614 6.525 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1cc(Cl)c(Cl)cc1C ZINC000005524357 570629431 /nfs/dbraw/zinc/62/94/31/570629431.db2.gz XAOUNCPWJADRER-LJQANCHMSA-N 1 0 360.369 6.018 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1ccc(Cl)c(C)c1Cl ZINC000005524360 207104417 /nfs/dbraw/zinc/10/44/17/207104417.db2.gz XZAYNBYDWJBGPA-GOSISDBHSA-N 1 0 360.369 6.018 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1ccc2c3c(cccc31)CC2 ZINC000005524364 207104401 /nfs/dbraw/zinc/10/44/01/207104401.db2.gz OHQWHKWENCMAMO-HSZRJFAPSA-N 1 0 353.550 5.654 40 0 FKABRO Clc1ccc(C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005626249 570679764 /nfs/dbraw/zinc/67/97/64/570679764.db2.gz OBKYREAEPMNVOJ-UHFFFAOYSA-N 1 0 360.288 5.249 40 0 FKABRO CCCCCCSC(=Cc1cccc[n+]1C)SCCCCCC ZINC000005760003 204224826 /nfs/dbraw/zinc/22/48/26/204224826.db2.gz RUJYAHNVQYHOFM-UHFFFAOYSA-N 1 0 352.633 6.437 40 0 FKABRO CC[NH+](CC)CCC[C@@H](C)Nc1nccc(/C=C/c2ccc(Cl)cc2)n1 ZINC000005807598 570636001 /nfs/dbraw/zinc/63/60/01/570636001.db2.gz DLTXCRZUQNDKJW-JIIJFUIFSA-N 1 0 372.944 5.223 40 0 FKABRO CC[NH+](CC)CCC[C@H](C)Nc1nccc(/C=C/c2ccc(Cl)cc2)n1 ZINC000005807602 219700023 /nfs/dbraw/zinc/70/00/23/219700023.db2.gz DLTXCRZUQNDKJW-RTGRKSDTSA-N 1 0 372.944 5.223 40 0 FKABRO CC[NH+](CC)C[C@@H](O)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 ZINC000005807650 570636232 /nfs/dbraw/zinc/63/62/32/570636232.db2.gz GPLJBFUSTMABDL-JOCHJYFZSA-N 1 0 374.528 5.144 40 0 FKABRO COc1cc2c(cc1OC)[C@H](C(c1ccccc1)c1ccccc1)[N@H+](C)CC2 ZINC000005812919 207116986 /nfs/dbraw/zinc/11/69/86/207116986.db2.gz FWQAJQNEFXJSOZ-RUZDIDTESA-N 1 0 373.496 5.065 40 0 FKABRO CCCC[C@H](C)[N@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000005838418 570637173 /nfs/dbraw/zinc/63/71/73/570637173.db2.gz UICOCDFXIDXKNL-SFHVURJKSA-N 1 0 357.542 5.192 40 0 FKABRO CCC[C@H](C)[N@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000005839079 570637029 /nfs/dbraw/zinc/63/70/29/570637029.db2.gz JIXMWYDHDHDAHY-SFHVURJKSA-N 1 0 357.542 5.192 40 0 FKABRO CC[NH+](CC)Cc1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000005840152 570636920 /nfs/dbraw/zinc/63/69/20/570636920.db2.gz PAKFQTNZLCWULY-DEOSSOPVSA-N 1 0 372.512 5.565 40 0 FKABRO CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)C[NH+]1CCCCCC1 ZINC000005964757 570639822 /nfs/dbraw/zinc/63/98/22/570639822.db2.gz ZBWMEOUDAZXGEW-NRFANRHFSA-N 1 0 363.545 5.464 40 0 FKABRO CCCCCC[NH+](CCCCCC)CC[C@@H](O)c1ccc2ccccc2c1 ZINC000005973023 204232616 /nfs/dbraw/zinc/23/26/16/204232616.db2.gz UNMRNNPYWJZACC-RUZDIDTESA-N 1 0 369.593 6.726 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1c(Cl)ccc2ccccc21 ZINC000005973198 219708493 /nfs/dbraw/zinc/70/84/93/219708493.db2.gz NNZXYEMCKNJDJY-OAQYLSRUSA-N 1 0 361.957 6.209 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1ccc(Cl)c2ccccc21 ZINC000005973205 210651873 /nfs/dbraw/zinc/65/18/73/210651873.db2.gz ZWESMUVWWIABJU-JOCHJYFZSA-N 1 0 361.957 6.209 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1ccc(OC)c2ccccc21 ZINC000005973206 570639761 /nfs/dbraw/zinc/63/97/61/570639761.db2.gz DBWFGYRRXMOPNZ-JOCHJYFZSA-N 1 0 357.538 5.564 40 0 FKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1cccc2cc(Cl)ccc21 ZINC000005973209 570639837 /nfs/dbraw/zinc/63/98/37/570639837.db2.gz DMLPGKLDZDRHLA-JOCHJYFZSA-N 1 0 361.957 6.209 40 0 FKABRO CCCC[NH+](CCCC)CC(C)(C)[C@@H](O)c1ccc(OC)c2ccccc21 ZINC000005973403 570639808 /nfs/dbraw/zinc/63/98/08/570639808.db2.gz MOCVRJMWAFRPGX-QHCPKHFHSA-N 1 0 371.565 5.810 40 0 FKABRO CCCC[NH+](CCCC)CC[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000005973413 210651780 /nfs/dbraw/zinc/65/17/80/210651780.db2.gz DYLWYXWERCOYOB-RUZDIDTESA-N 1 0 367.577 6.044 40 0 FKABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(CCc2ccccc2)cc1 ZINC000005973440 219708543 /nfs/dbraw/zinc/70/85/43/219708543.db2.gz CTGMNONNCMJGGN-XMMPIXPASA-N 1 0 353.550 5.407 40 0 FKABRO C[C@@H](Cc1ccccc1)[NH2+]CCC1c2ccccc2Sc2ccccc21 ZINC000006021047 570640217 /nfs/dbraw/zinc/64/02/17/570640217.db2.gz OSXOGVJHQHLKFO-SFHVURJKSA-N 1 0 359.538 5.894 40 0 in-man FKABRO C[C@H](Cc1ccccc1)[NH2+]CCC1c2ccccc2Sc2ccccc21 ZINC000006036855 204235076 /nfs/dbraw/zinc/23/50/76/204235076.db2.gz OSXOGVJHQHLKFO-GOSISDBHSA-N 1 0 359.538 5.894 40 0 in-man FKABRO O=C(CCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000006092801 571151094 /nfs/dbraw/zinc/15/10/94/571151094.db2.gz ZNOLNAPJKOYTHY-UHFFFAOYSA-N 1 0 357.856 5.231 40 0 world FKABRO CCCCC[NH+](CCCCC)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000006203455 570643262 /nfs/dbraw/zinc/64/32/62/570643262.db2.gz SOZHRVNSGBVVPJ-KNKQGSTJSA-N 1 0 351.575 5.427 40 0 FKABRO CCCCC[NH+](CCCCC)CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000006203457 570643285 /nfs/dbraw/zinc/64/32/85/570643285.db2.gz SOZHRVNSGBVVPJ-DXIQSLLYSA-N 1 0 351.575 5.427 40 0 FKABRO [NH2+]=C1NC(c2ccc(F)cc2)=C[C@H](c2ccc(Cl)cc2Cl)S1 ZINC000006221421 204240411 /nfs/dbraw/zinc/24/04/11/204240411.db2.gz CZOWGGDNKOPUGW-OAHLLOKOSA-N 1 0 353.249 5.486 40 0 FKABRO [NH2+]=C1NC(c2ccc(F)cc2)=C[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000006221422 204241218 /nfs/dbraw/zinc/24/12/18/204241218.db2.gz CZOWGGDNKOPUGW-HNNXBMFYSA-N 1 0 353.249 5.486 40 0 FKABRO CC(C)(C)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000006357455 570780430 /nfs/dbraw/zinc/78/04/30/570780430.db2.gz CXBQJDICKILMIE-UHFFFAOYSA-N 1 0 350.506 5.222 40 0 FKABRO CCOc1ccc([C@H](CC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000006411293 570647016 /nfs/dbraw/zinc/64/70/16/570647016.db2.gz NQCHWGIDYBIPJN-UXIGSVSMSA-N 1 0 363.545 5.729 40 0 FKABRO CC[C@H](COC(=O)C(c1ccccc1)c1ccccc1)[NH2+]C1CCCCC1 ZINC000006412530 207139869 /nfs/dbraw/zinc/13/98/69/207139869.db2.gz CCXSAEHBOIKXRL-OAQYLSRUSA-N 1 0 365.517 5.063 40 0 FKABRO C[NH+](C)CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006437063 570647111 /nfs/dbraw/zinc/64/71/11/570647111.db2.gz DUXSZTVKCUAERV-QHCPKHFHSA-N 1 0 373.496 5.055 40 0 FKABRO O=C(OCC[N@@H+]1CCCC12CCCCC2)[C@@H](c1ccccc1)C1CCCC1 ZINC000006581808 570649608 /nfs/dbraw/zinc/64/96/08/570649608.db2.gz DKVGJXPJIJUMMN-QFIPXVFZSA-N 1 0 369.549 5.302 40 0 FKABRO CCCC[NH+](CCCC)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006592320 207147213 /nfs/dbraw/zinc/14/72/13/207147213.db2.gz ZTEACHTZBCDHNC-UHFFFAOYSA-N 1 0 374.356 5.407 40 0 FKABRO CCCC[NH+](CCCC)CCCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006756766 204267251 /nfs/dbraw/zinc/26/72/51/204267251.db2.gz RGSNZWACTXHCJB-UHFFFAOYSA-N 1 0 373.463 5.119 40 0 FKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1cccs1 ZINC000006857380 570786995 /nfs/dbraw/zinc/78/69/95/570786995.db2.gz OXXDPXXHVYMPLN-UHFFFAOYSA-N 1 0 361.551 5.640 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000006949548 570785924 /nfs/dbraw/zinc/78/59/24/570785924.db2.gz GQFMTANHIRVQKJ-LFIBNONCSA-N 1 0 350.506 5.304 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000006949571 570785975 /nfs/dbraw/zinc/78/59/75/570785975.db2.gz HAOHCSUDNWLCDT-UHFFFAOYSA-N 1 0 372.512 5.299 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000006949672 570785949 /nfs/dbraw/zinc/78/59/49/570785949.db2.gz UKUYULAEJXIFJQ-UHFFFAOYSA-N 1 0 372.921 5.649 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006949692 570785989 /nfs/dbraw/zinc/78/59/89/570785989.db2.gz ZHBVTFMSJTXNHW-UHFFFAOYSA-N 1 0 351.277 5.088 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000006949729 570657531 /nfs/dbraw/zinc/65/75/31/570657531.db2.gz NEHAVVAHVWREBO-UHFFFAOYSA-N 1 0 358.485 5.448 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006949732 570786223 /nfs/dbraw/zinc/78/62/23/570786223.db2.gz MLPKLPIHSWOANJ-UHFFFAOYSA-N 1 0 351.277 5.088 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000006949772 570786322 /nfs/dbraw/zinc/78/63/22/570786322.db2.gz DPZLKEQGHFLPGT-UHFFFAOYSA-N 1 0 366.892 5.587 40 0 FKABRO CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000007072963 570789590 /nfs/dbraw/zinc/78/95/90/570789590.db2.gz DLDVYLKMSSMTRA-GOSISDBHSA-N 1 0 368.521 5.059 40 0 FKABRO CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000007080027 570789638 /nfs/dbraw/zinc/78/96/38/570789638.db2.gz DLDVYLKMSSMTRA-SFHVURJKSA-N 1 0 368.521 5.059 40 0 FKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000007260982 263349613 /nfs/dbraw/zinc/34/96/13/263349613.db2.gz QGLBQRDFXXYVOJ-UHFFFAOYSA-N 1 0 367.942 5.659 40 0 FKABRO CCCCC[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000007261251 263349384 /nfs/dbraw/zinc/34/93/84/263349384.db2.gz ZPRFLWZCGMHMFK-UHFFFAOYSA-N 1 0 353.915 5.269 40 0 FKABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)o2)cc1 ZINC000007520573 263351967 /nfs/dbraw/zinc/35/19/67/263351967.db2.gz UVYDCDSMAUYQFD-UHFFFAOYSA-N 1 0 357.494 5.428 40 0 FKABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)cc1 ZINC000007520595 263351921 /nfs/dbraw/zinc/35/19/21/263351921.db2.gz WLVSZBBOHHTCHI-UHFFFAOYSA-N 1 0 355.478 5.326 40 0 FKABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1cccs1 ZINC000007523797 263351846 /nfs/dbraw/zinc/35/18/46/263351846.db2.gz LIZFQBGIELWORN-UHFFFAOYSA-N 1 0 371.477 5.155 40 0 FKABRO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1cccs1 ZINC000007523851 263351852 /nfs/dbraw/zinc/35/18/52/263351852.db2.gz MIZPWGDFXAIDBP-UHFFFAOYSA-N 1 0 359.535 5.538 40 0 FKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1cccs1 ZINC000007523871 263351801 /nfs/dbraw/zinc/35/18/01/263351801.db2.gz DDGCMBGYRJFTBC-UHFFFAOYSA-N 1 0 373.562 5.928 40 0 FKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1cccs1 ZINC000007523945 263351819 /nfs/dbraw/zinc/35/18/19/263351819.db2.gz IWPPPVCNYJGSMA-UHFFFAOYSA-N 1 0 359.535 5.538 40 0 FKABRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524277 570790994 /nfs/dbraw/zinc/79/09/94/570790994.db2.gz YRRWGQGFIKCJTQ-SCUMNGBJSA-N 1 0 353.481 5.780 40 0 FKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524280 570790975 /nfs/dbraw/zinc/79/09/75/570790975.db2.gz YRRWGQGFIKCJTQ-LRYXAPPNSA-N 1 0 353.481 5.780 40 0 FKABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524358 570790881 /nfs/dbraw/zinc/79/08/81/570790881.db2.gz BEDLAMJJTIHYOI-SCUMNGBJSA-N 1 0 353.481 5.780 40 0 FKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524361 219808564 /nfs/dbraw/zinc/80/85/64/219808564.db2.gz BEDLAMJJTIHYOI-LRYXAPPNSA-N 1 0 353.481 5.780 40 0 FKABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524567 570790979 /nfs/dbraw/zinc/79/09/79/570790979.db2.gz MXQPJKIVWVWEKC-SCUMNGBJSA-N 1 0 369.936 6.295 40 0 FKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524570 570790916 /nfs/dbraw/zinc/79/09/16/570790916.db2.gz MXQPJKIVWVWEKC-LRYXAPPNSA-N 1 0 369.936 6.295 40 0 FKABRO C[C@H]([NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524801 206244673 /nfs/dbraw/zinc/24/46/73/206244673.db2.gz INAAQPQRHSELAX-SCUMNGBJSA-N 1 0 369.936 6.295 40 0 FKABRO C[C@@H]([NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524802 570790790 /nfs/dbraw/zinc/79/07/90/570790790.db2.gz INAAQPQRHSELAX-LRYXAPPNSA-N 1 0 369.936 6.295 40 0 FKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1cccs1 ZINC000007538204 263351927 /nfs/dbraw/zinc/35/19/27/263351927.db2.gz GCQGIVUSDDCJSY-UHFFFAOYSA-N 1 0 367.514 5.324 40 0 FKABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007540765 263351899 /nfs/dbraw/zinc/35/18/99/263351899.db2.gz YEKNIETZMJGCAY-SCUMNGBJSA-N 1 0 351.490 5.058 40 0 FKABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007540771 263351867 /nfs/dbraw/zinc/35/18/67/263351867.db2.gz YEKNIETZMJGCAY-LRYXAPPNSA-N 1 0 351.490 5.058 40 0 FKABRO CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1cccs1 ZINC000008254744 570794476 /nfs/dbraw/zinc/79/44/76/570794476.db2.gz WYEZPQFCRSKJIM-UHFFFAOYSA-N 1 0 367.514 5.058 40 0 FKABRO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1cccs1 ZINC000008254753 570794586 /nfs/dbraw/zinc/79/45/86/570794586.db2.gz XIIQRHZLAMMWMW-UHFFFAOYSA-N 1 0 353.487 5.016 40 0 FKABRO CCOc1cc(C[NH2+]Cc2cccs2)ccc1OCc1cccs1 ZINC000008254757 570794501 /nfs/dbraw/zinc/79/45/01/570794501.db2.gz GHKBYXNYRWWQJC-UHFFFAOYSA-N 1 0 359.516 5.077 40 0 FKABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1cccs1 ZINC000008254761 570794564 /nfs/dbraw/zinc/79/45/64/570794564.db2.gz KJJHTBILPUPCCU-KRWDZBQOSA-N 1 0 367.514 5.577 40 0 FKABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1cccs1 ZINC000008254765 570794511 /nfs/dbraw/zinc/79/45/11/570794511.db2.gz KJJHTBILPUPCCU-QGZVFWFLSA-N 1 0 367.514 5.577 40 0 FKABRO CCOc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000008324951 206245807 /nfs/dbraw/zinc/24/58/07/206245807.db2.gz YJMMUNNRUUHBSM-KTIUQTLCSA-N 1 0 357.538 5.179 40 0 FKABRO CCOc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000008324953 570795025 /nfs/dbraw/zinc/79/50/25/570795025.db2.gz YJMMUNNRUUHBSM-DISFUBAWSA-N 1 0 357.538 5.179 40 0 FKABRO CCOc1ccc2ccccc2c1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008325143 570794997 /nfs/dbraw/zinc/79/49/97/570794997.db2.gz HLFHPPKDAAAVSF-SELVFMLMSA-N 1 0 363.545 5.933 40 0 FKABRO CCOc1ccc2ccccc2c1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008325148 219859481 /nfs/dbraw/zinc/85/94/81/219859481.db2.gz HLFHPPKDAAAVSF-KNEUKCCGSA-N 1 0 363.545 5.933 40 0 FKABRO O=C(CN(c1ccc(Cl)cc1)C1=NCCCCC1)c1ccc(F)cc1 ZINC000008418618 568314157 /nfs/dbraw/zinc/31/41/57/568314157.db2.gz DYKWVQDYKVATDO-UHFFFAOYSA-N 1 0 358.844 5.141 40 0 FKABRO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1cccs1 ZINC000008470564 263355167 /nfs/dbraw/zinc/35/51/67/263355167.db2.gz BHDKMFYWAWLIPF-UHFFFAOYSA-N 1 0 351.899 5.021 40 0 FKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1cccs1 ZINC000008472389 263355017 /nfs/dbraw/zinc/35/50/17/263355017.db2.gz OVZSPOYQFWVDSX-UHFFFAOYSA-N 1 0 373.905 5.279 40 0 FKABRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008497292 570795497 /nfs/dbraw/zinc/79/54/97/570795497.db2.gz IPUPFJZFUJGAHN-PGBBXINNSA-N 1 0 368.348 5.697 40 0 FKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1cccs1 ZINC000008534257 263354940 /nfs/dbraw/zinc/35/49/40/263354940.db2.gz YZEJXMLCYPQMBO-INIZCTEOSA-N 1 0 353.487 5.187 40 0 FKABRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008534850 206246367 /nfs/dbraw/zinc/24/63/67/206246367.db2.gz IPUPFJZFUJGAHN-JSFDKUKPSA-N 1 0 368.348 5.697 40 0 FKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1cccs1 ZINC000008535329 263355048 /nfs/dbraw/zinc/35/50/48/263355048.db2.gz YZEJXMLCYPQMBO-MRXNPFEDSA-N 1 0 353.487 5.187 40 0 FKABRO CCCCOc1ccc2[nH]c(C)c(C[N@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008572569 570683222 /nfs/dbraw/zinc/68/32/22/570683222.db2.gz BFRNSVUAAFYQNO-UHFFFAOYSA-N 1 0 364.489 5.060 40 0 FKABRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000008603356 570683783 /nfs/dbraw/zinc/68/37/83/570683783.db2.gz CPLFUAYNZKWBMW-GOSISDBHSA-N 1 0 362.521 5.219 40 0 FKABRO CCCCC/C=C\C/C=C/CCCCCCCC1=[NH+]C(C)(C)CN1C(C)C ZINC000008612757 204336718 /nfs/dbraw/zinc/33/67/18/204336718.db2.gz FJQBQHDALVQQQD-SEGPTZFDSA-N 1 0 374.657 7.701 40 0 FKABRO O[C@H](C[NH+](C1CCCCC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000008615457 204337912 /nfs/dbraw/zinc/33/79/12/204337912.db2.gz CROCJYHTHUTVOA-HXUWFJFHSA-N 1 0 370.364 5.994 40 0 FKABRO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008700899 571293671 /nfs/dbraw/zinc/29/36/71/571293671.db2.gz YMBMBLLMGQWUAL-BTYIYWSLSA-N 1 0 358.913 5.303 40 0 FKABRO CCOc1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008714098 571293661 /nfs/dbraw/zinc/29/36/61/571293661.db2.gz BTLFXIWYOFKUOL-HJPURHCSSA-N 1 0 368.521 5.048 40 0 FKABRO Cc1cc(C)c2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008714107 204340340 /nfs/dbraw/zinc/34/03/40/204340340.db2.gz TZXFIAVQRGFFJR-SBUREZEXSA-N 1 0 352.522 5.266 40 0 FKABRO CCc1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008714152 204340371 /nfs/dbraw/zinc/34/03/71/204340371.db2.gz NEAZAMGOLAETDW-SBUREZEXSA-N 1 0 352.522 5.212 40 0 FKABRO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@@H+]1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)c2=O ZINC000008717428 570684827 /nfs/dbraw/zinc/68/48/27/570684827.db2.gz YQRANECABFFVME-SBUREZEXSA-N 1 0 352.522 5.266 40 0 FKABRO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717547 570684626 /nfs/dbraw/zinc/68/46/26/570684626.db2.gz KFGVTCJOFFWGIG-QKKBWIMNSA-N 1 0 358.913 5.303 40 0 FKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000009062951 571302384 /nfs/dbraw/zinc/30/23/84/571302384.db2.gz UPBJADNLWHEZKI-UHFFFAOYSA-N 1 0 364.533 5.278 40 0 FKABRO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062954 571302359 /nfs/dbraw/zinc/30/23/59/571302359.db2.gz HOSWFYSFHZHZAH-UHFFFAOYSA-N 1 0 364.533 5.188 40 0 FKABRO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000009063163 571302587 /nfs/dbraw/zinc/30/25/87/571302587.db2.gz YMTIWURAYYFPRL-UHFFFAOYSA-N 1 0 364.533 5.188 40 0 FKABRO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063232 571302534 /nfs/dbraw/zinc/30/25/34/571302534.db2.gz TXEZELUTILJBSF-UHFFFAOYSA-N 1 0 370.924 5.062 40 0 FKABRO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063274 570797060 /nfs/dbraw/zinc/79/70/60/570797060.db2.gz BESPTEQFIDAQEJ-UHFFFAOYSA-N 1 0 370.924 5.314 40 0 FKABRO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000009063413 571302546 /nfs/dbraw/zinc/30/25/46/571302546.db2.gz MKEUSCRECSTELL-UHFFFAOYSA-N 1 0 370.924 5.116 40 0 FKABRO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063527 571302549 /nfs/dbraw/zinc/30/25/49/571302549.db2.gz WYHDOVYNOFTRLV-UHFFFAOYSA-N 1 0 368.496 5.108 40 0 FKABRO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063531 571302747 /nfs/dbraw/zinc/30/27/47/571302747.db2.gz JIKJQRUUJAIYPU-UHFFFAOYSA-N 1 0 368.496 5.019 40 0 FKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010276206 570699384 /nfs/dbraw/zinc/69/93/84/570699384.db2.gz SBXISEJYGGGRST-SFHVURJKSA-N 1 0 364.533 5.071 40 0 FKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010276213 571302974 /nfs/dbraw/zinc/30/29/74/571302974.db2.gz SBXISEJYGGGRST-GOSISDBHSA-N 1 0 364.533 5.071 40 0 FKABRO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010325920 570803477 /nfs/dbraw/zinc/80/34/77/570803477.db2.gz OGJMMTPIXCTEHY-UHFFFAOYSA-N 1 0 363.288 5.232 40 0 FKABRO O=C(Nc1cc(Cl)ccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010327873 570700349 /nfs/dbraw/zinc/70/03/49/570700349.db2.gz UFMVPFUGVQIUMD-UHFFFAOYSA-N 1 0 363.288 5.232 40 0 FKABRO O=C(Nc1ccccc1-c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010328665 571303023 /nfs/dbraw/zinc/30/30/23/571303023.db2.gz RDVJUHRFPCMDCE-UHFFFAOYSA-N 1 0 356.469 5.202 40 0 FKABRO O=C(Nc1c(Cl)cccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010330053 571303049 /nfs/dbraw/zinc/30/30/49/571303049.db2.gz PCIKOYBZUQSGHE-UHFFFAOYSA-N 1 0 363.288 5.232 40 0 FKABRO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010331665 263365232 /nfs/dbraw/zinc/36/52/32/263365232.db2.gz VBXKCURIEJRSSL-UHFFFAOYSA-N 1 0 350.506 5.357 40 0 FKABRO O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010332172 570832650 /nfs/dbraw/zinc/83/26/50/570832650.db2.gz COJDJRVYDHWALS-UHFFFAOYSA-N 1 0 363.288 5.232 40 0 FKABRO O=C(Nc1ccccc1Oc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010333127 571303173 /nfs/dbraw/zinc/30/31/73/571303173.db2.gz TUHNAVZATFZMHH-UHFFFAOYSA-N 1 0 372.468 5.327 40 0 FKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010335723 571303134 /nfs/dbraw/zinc/30/31/34/571303134.db2.gz YMDDCBBXWYYFFG-UHFFFAOYSA-N 1 0 372.468 5.327 40 0 FKABRO CCCCc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010336329 571303187 /nfs/dbraw/zinc/30/31/87/571303187.db2.gz LETBIBYRSYUCKB-UHFFFAOYSA-N 1 0 350.506 5.267 40 0 FKABRO O=C(Nc1cccc(Cl)c1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010367511 571303301 /nfs/dbraw/zinc/30/33/01/571303301.db2.gz AHTCICGXMMRTNX-UHFFFAOYSA-N 1 0 363.288 5.232 40 0 FKABRO O=C(Nc1ccccc1-c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010370362 571303347 /nfs/dbraw/zinc/30/33/47/571303347.db2.gz CPKIJJXIPQCTMQ-UHFFFAOYSA-N 1 0 370.496 5.592 40 0 FKABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000010372781 570700405 /nfs/dbraw/zinc/70/04/05/570700405.db2.gz JYABROBMHJWGLT-UHFFFAOYSA-N 1 0 362.517 5.123 40 0 FKABRO FC(F)c1cc([C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129066 570720600 /nfs/dbraw/zinc/72/06/00/570720600.db2.gz KWSDWJBHWDTUQH-ZWKOTPCHSA-N 1 0 359.464 5.111 40 0 FKABRO COCCC[N@H+](Cc1ccccn1)CC1(c2ccc(Cl)cc2)CCCC1 ZINC000012241497 570730907 /nfs/dbraw/zinc/73/09/07/570730907.db2.gz IXTWIBRMVXDYKH-UHFFFAOYSA-N 1 0 372.940 5.086 40 0 FKABRO COc1ccccc1C1([NH2+]Cc2cnc(-c3ccccc3C)nc2)CCCC1 ZINC000012328552 570737366 /nfs/dbraw/zinc/73/73/66/570737366.db2.gz RHSMJWDAEATWFV-UHFFFAOYSA-N 1 0 373.500 5.020 40 0 FKABRO FC(F)(F)c1ccccc1C[NH+]1CCC(c2cc3ncccc3cn2)CC1 ZINC000012337483 570737700 /nfs/dbraw/zinc/73/77/00/570737700.db2.gz JWOPLSHWIACQEK-UHFFFAOYSA-N 1 0 371.406 5.028 40 0 FKABRO c1ccc(C[n+]2cccc([C@@H]3O[C@H]4CCCC[C@@H]4C4=CCCC[C@H]43)c2)cc1 ZINC000012436941 570813400 /nfs/dbraw/zinc/81/34/00/570813400.db2.gz VGZDMJBYELSMKA-NGSHPTGOSA-N 1 0 360.521 5.379 40 0 FKABRO CC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013304217 568404897 /nfs/dbraw/zinc/40/48/97/568404897.db2.gz AOUWTGIEFIEWFQ-FXSWLTOZSA-N 1 0 371.524 5.719 40 0 FKABRO C[C@H]1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000013510232 220070514 /nfs/dbraw/zinc/07/05/14/220070514.db2.gz CTWBZPZGQUGJLG-VEXUSMLFSA-N 1 0 368.500 5.051 40 0 FKABRO CCCCCCC1(O)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000013562804 206304816 /nfs/dbraw/zinc/30/48/16/206304816.db2.gz ZOERYLZCLDLETJ-NQHMTMRJSA-N 1 0 365.561 6.046 40 0 FKABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc3ccccc32)cc1 ZINC000013570230 220074915 /nfs/dbraw/zinc/07/49/15/220074915.db2.gz VWMIUTYEUQYYDE-UHFFFAOYSA-N 1 0 368.480 5.446 40 0 FKABRO CCCc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(OC)cc2)s1 ZINC000013570252 220075176 /nfs/dbraw/zinc/07/51/76/220075176.db2.gz XWPDRRDGZABYTF-UHFFFAOYSA-N 1 0 366.530 5.307 40 0 FKABRO CCOc1cc(C[NH2+]C2CCCCC2)c(Cl)cc1OCc1ccccc1 ZINC000013915599 208304872 /nfs/dbraw/zinc/30/48/72/208304872.db2.gz UDALXFUIMCYNGK-UHFFFAOYSA-N 1 0 373.924 5.740 40 0 FKABRO FC(F)(F)c1ccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC000013989218 220099572 /nfs/dbraw/zinc/09/95/72/220099572.db2.gz NNLNQGLUUFLYKI-UHFFFAOYSA-N 1 0 356.391 5.303 40 0 FKABRO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc3cccnc32)cc1 ZINC000013989290 220100337 /nfs/dbraw/zinc/10/03/37/220100337.db2.gz QXLMRGUOUBHUPP-UHFFFAOYSA-N 1 0 353.469 5.141 40 0 FKABRO Cc1c2ccccc2[nH]c1CN(Cc1ccncc1)Cc1ccc(C)cc1 ZINC000013989337 570840600 /nfs/dbraw/zinc/84/06/00/570840600.db2.gz KRRDEDNICPWBTN-UHFFFAOYSA-N 1 0 355.485 5.382 40 0 FKABRO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2ccccc2N2CCCC2)cc1 ZINC000013989402 570499051 /nfs/dbraw/zinc/49/90/51/570499051.db2.gz JYKTZMIQGROQSS-UHFFFAOYSA-N 1 0 371.528 5.193 40 0 FKABRO FC(F)(F)c1ccccc1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000013990037 220099485 /nfs/dbraw/zinc/09/94/85/220099485.db2.gz GVWYTVNWADKKJB-UHFFFAOYSA-N 1 0 370.418 5.345 40 0 FKABRO Clc1ccc(-c2cc(C3CC[NH+](Cc4cccs4)CC3)[nH]n2)cc1 ZINC000013998174 220100825 /nfs/dbraw/zinc/10/08/25/220100825.db2.gz FCBOEFAAYISHGJ-UHFFFAOYSA-N 1 0 357.910 5.171 40 0 FKABRO COc1ccc(C2([NH2+]Cc3nc4ccccc4n3C(C)C)CCCC2)cc1 ZINC000013998183 206307153 /nfs/dbraw/zinc/30/71/53/206307153.db2.gz HHBDUFNHZOBSIB-UHFFFAOYSA-N 1 0 363.505 5.185 40 0 FKABRO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000014163188 570844861 /nfs/dbraw/zinc/84/48/61/570844861.db2.gz SQVXINVALFBTPV-SAHWJRBASA-N 1 0 360.501 5.378 40 0 FKABRO CC[C@@H]1C=C/C(=C\C=C\c2cc[n+](CC)c3ccccc23)c2ccccc21 ZINC000016636766 220188631 /nfs/dbraw/zinc/18/86/31/220188631.db2.gz XQSQDBVMWSUAHZ-LIVNOWQVSA-N 1 0 352.501 6.307 40 0 FKABRO CC[C@H]1C=C/C(=C\C=C\c2cc[n+](CC)c3ccccc23)c2ccccc21 ZINC000016636769 211164410 /nfs/dbraw/zinc/16/44/10/211164410.db2.gz XQSQDBVMWSUAHZ-KSFXKBOHSA-N 1 0 352.501 6.307 40 0 FKABRO Clc1ccccc1/C=C1\c2ccc(Br)cc2-c2cccc[n+]21 ZINC000016931295 207601406 /nfs/dbraw/zinc/60/14/06/207601406.db2.gz ZMAHDSWEZLPKAV-YBFXNURJSA-N 1 0 369.669 5.417 40 0 FKABRO C[C@H](CCC[N@H+](C)Cc1ccccc1)Nc1ccnc2cc(Cl)ccc21 ZINC000016955396 570863746 /nfs/dbraw/zinc/86/37/46/570863746.db2.gz WWYGIZAIIQNKMF-QGZVFWFLSA-N 1 0 367.924 5.601 40 0 FKABRO C[C@@H]([NH3+])c1ccc(OCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 ZINC000016974452 220198761 /nfs/dbraw/zinc/19/87/61/220198761.db2.gz CHNBJPJHVBOEGA-GOSISDBHSA-N 1 0 369.549 5.878 40 0 FKABRO Cc1[nH]c2ccccc2c1C(=O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000017073101 570868919 /nfs/dbraw/zinc/86/89/19/570868919.db2.gz YYESNOIJASTPEG-UHFFFAOYSA-N 1 0 352.522 5.626 40 0 FKABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000017074701 570869666 /nfs/dbraw/zinc/86/96/66/570869666.db2.gz AADQHPVLCRTYMO-UHFFFAOYSA-N 1 0 363.288 5.232 40 0 FKABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000017074702 570869609 /nfs/dbraw/zinc/86/96/09/570869609.db2.gz GUBIVUOJJZWOON-UHFFFAOYSA-N 1 0 363.288 5.232 40 0 FKABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000017074703 570869676 /nfs/dbraw/zinc/86/96/76/570869676.db2.gz DQYDLYMZOFAEKQ-UHFFFAOYSA-N 1 0 363.288 5.232 40 0 FKABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000017075003 570869650 /nfs/dbraw/zinc/86/96/50/570869650.db2.gz IRCTXDPBPURZDV-UHFFFAOYSA-N 1 0 364.876 5.341 40 0 FKABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1sc2ccccc2c1Cl ZINC000017076032 263372365 /nfs/dbraw/zinc/37/23/65/263372365.db2.gz UDUVFHFGTSIEFF-UHFFFAOYSA-N 1 0 370.905 5.403 40 0 FKABRO CCCCC/C=C\C/C=C\CCCCCCCC1=[NH+]C(C)(C)CN1C(C)C ZINC000017148024 570869938 /nfs/dbraw/zinc/86/99/38/570869938.db2.gz FJQBQHDALVQQQD-XVTLYKPTSA-N 1 0 374.657 7.701 40 0 FKABRO CCCCC/C=C/C/C=C\CCCCCCCC1=[NH+]C(C)(C)CN1C(C)C ZINC000017148026 570869748 /nfs/dbraw/zinc/86/97/48/570869748.db2.gz FJQBQHDALVQQQD-SVEAWWMOSA-N 1 0 374.657 7.701 40 0 FKABRO CCCCN(CCCC)c1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1 ZINC000017289670 204654097 /nfs/dbraw/zinc/65/40/97/204654097.db2.gz WDFRBOJZFCOGFR-UHFFFAOYSA-N 1 0 351.538 5.575 40 0 FKABRO [NH2+]=C(c1ccccc1)c1ccccc1C(O)(c1ccccc1)c1ccccc1 ZINC000017301331 570871890 /nfs/dbraw/zinc/87/18/90/570871890.db2.gz GZJWZFDJAKHOOK-UHFFFAOYSA-N 1 0 363.460 5.387 40 0 FKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H]([NH+]5CCCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000017325215 570872187 /nfs/dbraw/zinc/87/21/87/570872187.db2.gz CKLNKKSOWCISAB-SGLYVMGASA-N 1 0 359.598 5.245 40 0 FKABRO Clc1ccc(/C(=C/C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000017378389 204654475 /nfs/dbraw/zinc/65/44/75/204654475.db2.gz RHKSEYVTQFZACE-TXSSHTDISA-N 1 0 351.921 5.894 40 0 FKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC([NH+]5CCCCC5)=CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000017429608 570873189 /nfs/dbraw/zinc/87/31/89/570873189.db2.gz RCEDLDDSTBBSOK-OIEMOICNSA-N 1 0 357.582 5.370 40 0 FKABRO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccc(C(C)C)cc2)on1 ZINC000019120902 220237269 /nfs/dbraw/zinc/23/72/69/220237269.db2.gz IOFOJJBCDASHQU-HXUWFJFHSA-N 1 0 364.493 5.224 40 0 FKABRO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccc(C(C)C)cc2)on1 ZINC000019120904 211203208 /nfs/dbraw/zinc/20/32/08/211203208.db2.gz IOFOJJBCDASHQU-FQEVSTJZSA-N 1 0 364.493 5.224 40 0 FKABRO Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2cccs2)Cc2ccncc2)cc1 ZINC000019210154 570882009 /nfs/dbraw/zinc/88/20/09/570882009.db2.gz IBCKQWKXNOKJKD-UHFFFAOYSA-N 1 0 374.513 5.044 40 0 FKABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2cn(C)c3ccccc23)nc1 ZINC000019215607 211207561 /nfs/dbraw/zinc/20/75/61/211207561.db2.gz DXWMBMCGUPLGHH-OAQYLSRUSA-N 1 0 361.514 5.017 40 0 FKABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2cn(C)c3ccccc23)nc1 ZINC000019215609 220240542 /nfs/dbraw/zinc/24/05/42/220240542.db2.gz DXWMBMCGUPLGHH-NRFANRHFSA-N 1 0 361.514 5.017 40 0 FKABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](Cc4cccc(Cl)c4)C3)o2)s1 ZINC000019217621 220240749 /nfs/dbraw/zinc/24/07/49/220240749.db2.gz BJWJECOMNZPUIH-OAHLLOKOSA-N 1 0 373.909 5.140 40 0 FKABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4cccc(Cl)c4)C3)o2)s1 ZINC000019217623 570882462 /nfs/dbraw/zinc/88/24/62/570882462.db2.gz BJWJECOMNZPUIH-HNNXBMFYSA-N 1 0 373.909 5.140 40 0 FKABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](Cc4ccccc4Cl)C3)o2)s1 ZINC000019217631 220241829 /nfs/dbraw/zinc/24/18/29/220241829.db2.gz RFEDRXNXWFBWDQ-OAHLLOKOSA-N 1 0 373.909 5.140 40 0 FKABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)o2)s1 ZINC000019217634 570882222 /nfs/dbraw/zinc/88/22/22/570882222.db2.gz RFEDRXNXWFBWDQ-HNNXBMFYSA-N 1 0 373.909 5.140 40 0 FKABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)o2)s1 ZINC000019217838 211205824 /nfs/dbraw/zinc/20/58/24/211205824.db2.gz JGCRDZNRHKXHGV-UHFFFAOYSA-N 1 0 373.909 5.140 40 0 FKABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccccc4Cl)CC3)o2)s1 ZINC000019217860 570882284 /nfs/dbraw/zinc/88/22/84/570882284.db2.gz CSKLGBVAEYNFOV-UHFFFAOYSA-N 1 0 373.909 5.140 40 0 FKABRO Cc1ccccc1-c1ncc(C[NH2+]C2(c3ccccc3F)CCCC2)cn1 ZINC000019237564 211208403 /nfs/dbraw/zinc/20/84/03/211208403.db2.gz RGPRNSFJQBHZGD-UHFFFAOYSA-N 1 0 361.464 5.150 40 0 FKABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000019238723 570883499 /nfs/dbraw/zinc/88/34/99/570883499.db2.gz ZHJRAUVSPPCGEH-UHFFFAOYSA-N 1 0 373.909 5.140 40 0 FKABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000019238730 211210372 /nfs/dbraw/zinc/21/03/72/211210372.db2.gz WSBNVJNCDKIMMV-UHFFFAOYSA-N 1 0 373.909 5.140 40 0 FKABRO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2cccc3ncccc23)n1 ZINC000019240099 220243727 /nfs/dbraw/zinc/24/37/27/220243727.db2.gz LHUJGGVAIZDBLI-LJQANCHMSA-N 1 0 365.527 5.135 40 0 FKABRO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2cccc3ncccc23)n1 ZINC000019240101 211211611 /nfs/dbraw/zinc/21/16/11/211211611.db2.gz LHUJGGVAIZDBLI-IBGZPJMESA-N 1 0 365.527 5.135 40 0 FKABRO CCCC[C@H](CC)CN1CN2C[N@H+](C[C@@H](CC)CCCC)CC2(C)C1 ZINC000019319125 220249687 /nfs/dbraw/zinc/24/96/87/220249687.db2.gz MSJBLPVXRJMJSY-SFTDATJTSA-N 1 0 351.623 5.026 40 0 in-man FKABRO Clc1ccc(CN2CCC[N@H+](C3CCCCC3)[C@@H]2[C@@H]2CCC=CO2)cc1 ZINC000019319512 570885753 /nfs/dbraw/zinc/88/57/53/570885753.db2.gz DGYSLUPPRRWWLE-FCHUYYIVSA-N 1 0 374.956 5.199 40 0 FKABRO CCCC[C@@H](CC)CN1CN2C[N@H+](C[C@H](CC)CCCC)CC2(C)C1 ZINC000019324115 211213843 /nfs/dbraw/zinc/21/38/43/211213843.db2.gz MSJBLPVXRJMJSY-NHCUHLMSSA-N 1 0 351.623 5.026 40 0 in-man FKABRO CC(C)c1ccc(CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000019366420 570888095 /nfs/dbraw/zinc/88/80/95/570888095.db2.gz VLOMAWCYFDMKSV-UHFFFAOYSA-N 1 0 350.550 5.251 40 0 FKABRO CC(C)c1ccc(C[NH+]2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000019453200 570889267 /nfs/dbraw/zinc/88/92/67/570889267.db2.gz GBXQLPKBKXHXJW-UHFFFAOYSA-N 1 0 367.518 5.301 40 0 FKABRO COc1ccc([C@@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2C2CCCC2)cc1 ZINC000019458713 220261264 /nfs/dbraw/zinc/26/12/64/220261264.db2.gz CXBMXHXSZPRVQE-MRXNPFEDSA-N 1 0 363.505 5.422 40 0 FKABRO COc1ccc([C@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2C2CCCC2)cc1 ZINC000019458715 220261654 /nfs/dbraw/zinc/26/16/54/220261654.db2.gz CXBMXHXSZPRVQE-INIZCTEOSA-N 1 0 363.505 5.422 40 0 FKABRO Cc1noc2nc([C@@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)cc(C(F)F)c12 ZINC000019564292 220274735 /nfs/dbraw/zinc/27/47/35/220274735.db2.gz HPYMVKBEFDZIKO-LSDHHAIUSA-N 1 0 361.436 5.005 40 0 FKABRO Cc1noc2nc([C@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)cc(C(F)F)c12 ZINC000019564295 220274334 /nfs/dbraw/zinc/27/43/34/220274334.db2.gz HPYMVKBEFDZIKO-GJZGRUSLSA-N 1 0 361.436 5.005 40 0 FKABRO Cc1noc2nc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)cc(C(F)F)c12 ZINC000019564982 570894028 /nfs/dbraw/zinc/89/40/28/570894028.db2.gz HGAWCELWXQTZNU-AWEZNQCLSA-N 1 0 361.436 5.005 40 0 FKABRO Cc1noc2nc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)cc(C(F)F)c12 ZINC000019564986 220273265 /nfs/dbraw/zinc/27/32/65/220273265.db2.gz HGAWCELWXQTZNU-CQSZACIVSA-N 1 0 361.436 5.005 40 0 FKABRO Cc1noc2nc(C3CC[NH+](CC4CCCCC4)CC3)cc(C(F)F)c12 ZINC000019564988 570894050 /nfs/dbraw/zinc/89/40/50/570894050.db2.gz KXJYPKQPKQXGQT-UHFFFAOYSA-N 1 0 363.452 5.229 40 0 FKABRO Cc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)s1 ZINC000019691913 570898925 /nfs/dbraw/zinc/89/89/25/570898925.db2.gz NMZIGZFUBGNBIU-QFIPXVFZSA-N 1 0 363.530 5.083 40 0 FKABRO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)s1 ZINC000019691914 220285488 /nfs/dbraw/zinc/28/54/88/220285488.db2.gz NMZIGZFUBGNBIU-JOCHJYFZSA-N 1 0 363.530 5.083 40 0 FKABRO CCSc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000019931732 521777390 /nfs/dbraw/zinc/77/73/90/521777390.db2.gz CCCLNHCSVRSZIU-UHFFFAOYSA-N 1 0 354.519 5.037 40 0 FKABRO CCc1cccc(CC)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000019933233 524069080 /nfs/dbraw/zinc/06/90/80/524069080.db2.gz GZHRVJCNAYFWIC-GOSISDBHSA-N 1 0 364.533 5.296 40 0 FKABRO CCc1cccc(CC)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000019933235 570907259 /nfs/dbraw/zinc/90/72/59/570907259.db2.gz GZHRVJCNAYFWIC-SFHVURJKSA-N 1 0 364.533 5.296 40 0 FKABRO CCc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000019934656 220306491 /nfs/dbraw/zinc/30/64/91/220306491.db2.gz XJTDONMGNZPMIC-UHFFFAOYSA-N 1 0 350.506 5.042 40 0 FKABRO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020049624 524211050 /nfs/dbraw/zinc/21/10/50/524211050.db2.gz UCAMTVWENPZTGJ-QUCCMNQESA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020049626 263377634 /nfs/dbraw/zinc/37/76/34/263377634.db2.gz UCAMTVWENPZTGJ-ICSRJNTNSA-N 1 0 364.533 5.026 40 0 FKABRO CCc1cccc(CC)c1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020104120 570909980 /nfs/dbraw/zinc/90/99/80/570909980.db2.gz BLQIQPJOPXGUME-UHFFFAOYSA-N 1 0 364.533 5.296 40 0 FKABRO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020104881 524210200 /nfs/dbraw/zinc/21/02/00/524210200.db2.gz SFXHNIWZAMELKQ-FQEVSTJZSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020104883 524203319 /nfs/dbraw/zinc/20/33/19/524203319.db2.gz SFXHNIWZAMELKQ-HXUWFJFHSA-N 1 0 364.533 5.026 40 0 FKABRO CC(C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000020107860 519246362 /nfs/dbraw/zinc/24/63/62/519246362.db2.gz PEUVAJNYNVFTOR-HSZRJFAPSA-N 1 0 364.533 5.190 40 0 FKABRO CC(C)C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000020107861 519392097 /nfs/dbraw/zinc/39/20/97/519392097.db2.gz PEUVAJNYNVFTOR-QHCPKHFHSA-N 1 0 364.533 5.190 40 0 FKABRO FC(F)(F)c1ccc(Cl)c(-c2ccc(C[NH2+]Cc3cccnc3)o2)c1 ZINC000020158471 527683120 /nfs/dbraw/zinc/68/31/20/527683120.db2.gz UETKOASCMWENOJ-UHFFFAOYSA-N 1 0 366.770 5.304 40 0 FKABRO Clc1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)c(Br)c1 ZINC000020158497 263378896 /nfs/dbraw/zinc/37/88/96/263378896.db2.gz RKPBIEDCOYVWEO-UHFFFAOYSA-N 1 0 368.702 5.785 40 0 FKABRO FC(F)(F)c1ccc(Cl)c(-c2ccc(C[NH2+]Cc3ccccc3)o2)c1 ZINC000020158571 527682985 /nfs/dbraw/zinc/68/29/85/527682985.db2.gz BTQZGVMXWMLTHV-UHFFFAOYSA-N 1 0 365.782 5.909 40 0 FKABRO FC(F)(F)c1ccc(Cl)c(-c2ccc(C[NH2+]C3CCCCC3)o2)c1 ZINC000020158587 263379151 /nfs/dbraw/zinc/37/91/51/263379151.db2.gz COSCBQCWNQJNAS-UHFFFAOYSA-N 1 0 357.803 6.041 40 0 FKABRO CCSc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020450976 521777416 /nfs/dbraw/zinc/77/74/16/521777416.db2.gz CRVMGRNWSQIMBS-QGZVFWFLSA-N 1 0 368.546 5.283 40 0 FKABRO CCSc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020450978 521777696 /nfs/dbraw/zinc/77/76/96/521777696.db2.gz CRVMGRNWSQIMBS-KRWDZBQOSA-N 1 0 368.546 5.283 40 0 FKABRO CC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020454682 570916676 /nfs/dbraw/zinc/91/66/76/570916676.db2.gz PMFBNFWNXRYQHE-UHFFFAOYSA-N 1 0 350.506 5.294 40 0 FKABRO CC(C)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020456563 211281643 /nfs/dbraw/zinc/28/16/43/211281643.db2.gz LJJAMBMXKWIPMJ-GOSISDBHSA-N 1 0 350.506 5.294 40 0 FKABRO CC(C)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020456564 211282435 /nfs/dbraw/zinc/28/24/35/211282435.db2.gz LJJAMBMXKWIPMJ-SFHVURJKSA-N 1 0 350.506 5.294 40 0 FKABRO CCSc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020457798 521777149 /nfs/dbraw/zinc/77/71/49/521777149.db2.gz PBEITPOFZIMXBI-UHFFFAOYSA-N 1 0 368.546 5.283 40 0 FKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000020459642 525909849 /nfs/dbraw/zinc/90/98/49/525909849.db2.gz GWEMPGCEXUVECL-QUCCMNQESA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000020459643 263381769 /nfs/dbraw/zinc/38/17/69/263381769.db2.gz GWEMPGCEXUVECL-ICSRJNTNSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1Cl ZINC000020485228 570917624 /nfs/dbraw/zinc/91/76/24/570917624.db2.gz CUFUGXUDDUOOPX-UHFFFAOYSA-N 1 0 356.897 5.133 40 0 FKABRO Cc1c(Cl)cccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020490418 570918303 /nfs/dbraw/zinc/91/83/03/570918303.db2.gz YFMIUNUNQIOGSP-UHFFFAOYSA-N 1 0 356.897 5.133 40 0 FKABRO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020490792 220329223 /nfs/dbraw/zinc/32/92/23/220329223.db2.gz HFNDHAPSXJUZBC-UHFFFAOYSA-N 1 0 356.897 5.133 40 0 FKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)C1 ZINC000020490810 211283508 /nfs/dbraw/zinc/28/35/08/211283508.db2.gz WCNKLULQXCGKBP-GOSISDBHSA-N 1 0 358.485 5.324 40 0 FKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)C1 ZINC000020490812 220329327 /nfs/dbraw/zinc/32/93/27/220329327.db2.gz WCNKLULQXCGKBP-SFHVURJKSA-N 1 0 358.485 5.324 40 0 FKABRO Nc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C[NH+]1CCCCC1 ZINC000020506698 211283711 /nfs/dbraw/zinc/28/37/11/211283711.db2.gz CGNHPBFJLBBMHJ-UHFFFAOYSA-N 1 0 351.881 5.123 40 0 FKABRO C(=C\c1ccccc1)\CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021983537 220372430 /nfs/dbraw/zinc/37/24/30/220372430.db2.gz DERZBLKQOCDDDZ-RAXLEYEMSA-N 1 0 368.524 5.107 40 0 aggregator,world FKABRO c1csc(COc2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000022073921 263384701 /nfs/dbraw/zinc/38/47/01/263384701.db2.gz CGBDMMZBCOXXHS-UHFFFAOYSA-N 1 0 353.531 5.386 40 0 FKABRO c1csc(COc2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2)c1 ZINC000022073923 263385426 /nfs/dbraw/zinc/38/54/26/263385426.db2.gz VYMWZAWFMYHOEB-UHFFFAOYSA-N 1 0 353.531 5.241 40 0 FKABRO CCn1c2ccccc2c2cc(C[NH2+][C@@H](C)[C@@H](O)c3ccccc3)ccc21 ZINC000022076200 263384885 /nfs/dbraw/zinc/38/48/85/263384885.db2.gz NAFBMJAIFIWATM-BXKMTCNYSA-N 1 0 358.485 5.026 40 0 FKABRO CCn1c2ccccc2c2cc(C[NH2+][C@H](C)[C@@H](O)c3ccccc3)ccc21 ZINC000022076202 263385024 /nfs/dbraw/zinc/38/50/24/263385024.db2.gz NAFBMJAIFIWATM-MZNJEOGPSA-N 1 0 358.485 5.026 40 0 FKABRO CCn1c2ccccc2c2cc(C[NH2+][C@@H](C)[C@H](O)c3ccccc3)ccc21 ZINC000022076204 263385467 /nfs/dbraw/zinc/38/54/67/263385467.db2.gz NAFBMJAIFIWATM-XDHUDOTRSA-N 1 0 358.485 5.026 40 0 FKABRO CCn1c2ccccc2c2cc(C[NH2+][C@H](C)[C@H](O)c3ccccc3)ccc21 ZINC000022076206 263384935 /nfs/dbraw/zinc/38/49/35/263384935.db2.gz NAFBMJAIFIWATM-OSPHWJPCSA-N 1 0 358.485 5.026 40 0 FKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)o1 ZINC000022076859 263384905 /nfs/dbraw/zinc/38/49/05/263384905.db2.gz QFPMDQLNKKZKMA-QVKFZJNVSA-N 1 0 355.865 5.120 40 0 FKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)o1 ZINC000022076861 263385506 /nfs/dbraw/zinc/38/55/06/263385506.db2.gz QFPMDQLNKKZKMA-YCRPNKLZSA-N 1 0 355.865 5.120 40 0 FKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)o1 ZINC000022076863 263385176 /nfs/dbraw/zinc/38/51/76/263385176.db2.gz QFPMDQLNKKZKMA-VFNWGFHPSA-N 1 0 355.865 5.120 40 0 FKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)o1 ZINC000022076865 263384764 /nfs/dbraw/zinc/38/47/64/263384764.db2.gz QFPMDQLNKKZKMA-BTYIYWSLSA-N 1 0 355.865 5.120 40 0 FKABRO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000022509125 211353016 /nfs/dbraw/zinc/35/30/16/211353016.db2.gz HOELXOAJIPEGOA-UHFFFAOYSA-N 1 0 364.533 5.603 40 0 FKABRO CCCCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022511213 570944519 /nfs/dbraw/zinc/94/45/19/570944519.db2.gz IMZZBRBVXSPQDY-LJQANCHMSA-N 1 0 364.533 5.513 40 0 FKABRO CCCCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022511217 211352376 /nfs/dbraw/zinc/35/23/76/211352376.db2.gz IMZZBRBVXSPQDY-IBGZPJMESA-N 1 0 364.533 5.513 40 0 FKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)CC1 ZINC000022512411 211351626 /nfs/dbraw/zinc/35/16/26/211351626.db2.gz WXGRWYPPMXPLGN-UHFFFAOYSA-N 1 0 358.485 5.324 40 0 FKABRO CCCCc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000022519847 570945527 /nfs/dbraw/zinc/94/55/27/570945527.db2.gz FOIVPQDQPNNEIW-UHFFFAOYSA-N 1 0 364.533 5.513 40 0 FKABRO Cc1c(Cl)cccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022531109 211354476 /nfs/dbraw/zinc/35/44/76/211354476.db2.gz ANYVIXQULMILHI-OAHLLOKOSA-N 1 0 356.897 5.133 40 0 FKABRO Cc1c(Cl)cccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000022531114 570946009 /nfs/dbraw/zinc/94/60/09/570946009.db2.gz ANYVIXQULMILHI-HNNXBMFYSA-N 1 0 356.897 5.133 40 0 FKABRO CC(C)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000022532004 570945861 /nfs/dbraw/zinc/94/58/61/570945861.db2.gz HBJMESRJYLWUEC-GOSISDBHSA-N 1 0 350.506 5.294 40 0 FKABRO CC(C)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000022532009 211355400 /nfs/dbraw/zinc/35/54/00/211355400.db2.gz HBJMESRJYLWUEC-SFHVURJKSA-N 1 0 350.506 5.294 40 0 FKABRO FC(F)(F)c1cccc(-[n+]2cc(-c3cccs3)n3c2CCCCC3)c1 ZINC000026441685 571162789 /nfs/dbraw/zinc/16/27/89/571162789.db2.gz DOLFZCSTGVSRMS-UHFFFAOYSA-N 1 0 363.428 5.239 40 0 FKABRO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C2CCCCC2)cc1 ZINC000026780326 207922759 /nfs/dbraw/zinc/92/27/59/207922759.db2.gz HLHCIXOMQNYVCC-FQEVSTJZSA-N 1 0 361.570 5.062 40 0 FKABRO CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C2CCCCC2)cc1 ZINC000026780328 204855629 /nfs/dbraw/zinc/85/56/29/204855629.db2.gz HLHCIXOMQNYVCC-HXUWFJFHSA-N 1 0 361.570 5.062 40 0 FKABRO CCCCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000027750721 206751300 /nfs/dbraw/zinc/75/13/00/206751300.db2.gz WCQAQOFNEUQMJB-UHFFFAOYSA-N 1 0 367.924 5.863 40 0 FKABRO Cc1ccc(-c2c[n+](C(c3ccccc3)c3ccccc3)c3n2CCC3)cc1 ZINC000027753723 571321160 /nfs/dbraw/zinc/32/11/60/571321160.db2.gz VAFVSNYPYZAFTP-UHFFFAOYSA-N 1 0 365.500 5.335 40 0 FKABRO Clc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccccc1 ZINC000027987027 571114479 /nfs/dbraw/zinc/11/44/79/571114479.db2.gz GQNXUCMULLUEHZ-UHFFFAOYSA-N 1 0 373.887 5.483 40 0 FKABRO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220370 571027763 /nfs/dbraw/zinc/02/77/63/571027763.db2.gz ZPKWYPBQGAAYHP-LJQANCHMSA-N 1 0 370.924 5.314 40 0 FKABRO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220375 571027847 /nfs/dbraw/zinc/02/78/47/571027847.db2.gz ZPKWYPBQGAAYHP-IBGZPJMESA-N 1 0 370.924 5.314 40 0 FKABRO C[C@@H]1C[C@@H](C)C[NH+](C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1 ZINC000028632075 210166756 /nfs/dbraw/zinc/16/67/56/210166756.db2.gz LSGLXOBUBXDHFI-FDIHYXAFSA-N 1 0 354.582 5.155 40 0 FKABRO C[C@H]1C[C@H](C)C[NH+](C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1 ZINC000028632079 210166509 /nfs/dbraw/zinc/16/65/09/210166509.db2.gz LSGLXOBUBXDHFI-LHAJZYKRSA-N 1 0 354.582 5.155 40 0 FKABRO Clc1ccc2c(c1)nccc2NC1CCC([NH2+]C2CCCCC2)CC1 ZINC000028706435 571034338 /nfs/dbraw/zinc/03/43/38/571034338.db2.gz FTQCIXDQYNLVGY-UHFFFAOYSA-N 1 0 357.929 5.534 40 0 FKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1 ZINC000030852456 208005716 /nfs/dbraw/zinc/00/57/16/208005716.db2.gz UWLIKCAVLAGWLH-AUSIDOKSSA-N 1 0 364.533 5.108 40 0 FKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1 ZINC000030852460 571050894 /nfs/dbraw/zinc/05/08/94/571050894.db2.gz UWLIKCAVLAGWLH-XXBNENTESA-N 1 0 364.533 5.108 40 0 FKABRO CSc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030938128 571052924 /nfs/dbraw/zinc/05/29/24/571052924.db2.gz LKXFBEVHLGMYRT-UHFFFAOYSA-N 1 0 354.519 5.037 40 0 FKABRO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030938225 571052582 /nfs/dbraw/zinc/05/25/82/571052582.db2.gz KAQQSJYMCCRWOX-HXUWFJFHSA-N 1 0 368.496 5.019 40 0 FKABRO CCCCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030938227 211526582 /nfs/dbraw/zinc/52/65/82/211526582.db2.gz KAQQSJYMCCRWOX-FQEVSTJZSA-N 1 0 368.496 5.019 40 0 FKABRO CCCCc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000030938277 571052723 /nfs/dbraw/zinc/05/27/23/571052723.db2.gz SKEVIOMITOIZMG-UHFFFAOYSA-N 1 0 364.533 5.658 40 0 FKABRO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000030940247 204913515 /nfs/dbraw/zinc/91/35/15/204913515.db2.gz UYJJMWXNEDPABA-UHFFFAOYSA-N 1 0 366.505 5.102 40 0 FKABRO CC(C)Oc1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000030940421 208008930 /nfs/dbraw/zinc/00/89/30/208008930.db2.gz VNCMKVWIBUKXSP-UHFFFAOYSA-N 1 0 366.505 5.102 40 0 FKABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2c(Cl)cc(Cl)cc12 ZINC000031614182 571054863 /nfs/dbraw/zinc/05/48/63/571054863.db2.gz NDMBIFUYJMVNEJ-CYBMUJFWSA-N 1 0 354.325 5.464 40 0 FKABRO C[C@@H](c1cccc(Nc2ccnc3cc(Cl)ccc32)c1)[NH+]1CCCC1 ZINC000031673114 220641083 /nfs/dbraw/zinc/64/10/83/220641083.db2.gz JYLXDTRVBITDJY-HNNXBMFYSA-N 1 0 351.881 5.789 40 0 FKABRO CC[NH+](CC)CCCN[C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000031939001 571056472 /nfs/dbraw/zinc/05/64/72/571056472.db2.gz RQPAJRYWENSZNR-AWEZNQCLSA-N 1 0 372.167 5.073 40 0 FKABRO COc1ccc(CC[NH2+]C2c3ccccc3C=Cc3ccccc32)cc1OC ZINC000031949560 571056476 /nfs/dbraw/zinc/05/64/76/571056476.db2.gz OALPJTIBFFLWLB-UHFFFAOYSA-N 1 0 371.480 5.109 40 0 FKABRO CC/C(=C(/c1ccc(O)cc1)c1ccc(OCC[NH2+]C)cc1)c1ccccc1 ZINC000033753464 208098898 /nfs/dbraw/zinc/09/88/98/208098898.db2.gz MHJBZVSGOZTKRH-OCOZRVBESA-N 1 0 373.496 5.360 40 0 in-vitro FKABRO CCCCCCC1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000033921103 571085659 /nfs/dbraw/zinc/08/56/59/571085659.db2.gz ZOERYLZCLDLETJ-GGYFNBGWSA-N 1 0 365.561 6.046 40 0 FKABRO CCCCCCC1(O)[C@H](C)[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000033921104 571085634 /nfs/dbraw/zinc/08/56/34/571085634.db2.gz ZOERYLZCLDLETJ-ZBZHKBISSA-N 1 0 365.561 6.046 40 0 FKABRO FC(F)(F)c1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000035572447 204995080 /nfs/dbraw/zinc/99/50/80/204995080.db2.gz GFVLDEOONDCYSC-UHFFFAOYSA-N 1 0 371.402 5.574 40 0 FKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000036067595 570693749 /nfs/dbraw/zinc/69/37/49/570693749.db2.gz GWEMPGCEXUVECL-AZUAARDMSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000036093813 570693593 /nfs/dbraw/zinc/69/35/93/570693593.db2.gz UCAMTVWENPZTGJ-AZUAARDMSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037065733 570765907 /nfs/dbraw/zinc/76/59/07/570765907.db2.gz SQVXINVALFBTPV-MFEFFIJZSA-N 1 0 360.501 5.378 40 0 FKABRO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000037065735 570766018 /nfs/dbraw/zinc/76/60/18/570766018.db2.gz SQVXINVALFBTPV-QQMNAOGKSA-N 1 0 360.501 5.378 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000038771899 211702197 /nfs/dbraw/zinc/70/21/97/211702197.db2.gz TUCQCEVXJSNYGK-GOSISDBHSA-N 1 0 368.521 5.058 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000038771901 571086817 /nfs/dbraw/zinc/08/68/17/571086817.db2.gz TUCQCEVXJSNYGK-SFHVURJKSA-N 1 0 368.521 5.058 40 0 FKABRO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038771924 211701298 /nfs/dbraw/zinc/70/12/98/211701298.db2.gz PUSUBNIKAHRONM-SFHVURJKSA-N 1 0 364.533 5.603 40 0 FKABRO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038771926 571086636 /nfs/dbraw/zinc/08/66/36/571086636.db2.gz PUSUBNIKAHRONM-GOSISDBHSA-N 1 0 364.533 5.603 40 0 FKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(C)cc1 ZINC000038783393 263399008 /nfs/dbraw/zinc/39/90/08/263399008.db2.gz UWLIKCAVLAGWLH-CVDCTZTESA-N 1 0 364.533 5.108 40 0 FKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(C)cc1 ZINC000038783395 263399105 /nfs/dbraw/zinc/39/91/05/263399105.db2.gz UWLIKCAVLAGWLH-WMZHIEFXSA-N 1 0 364.533 5.108 40 0 FKABRO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038833695 571087251 /nfs/dbraw/zinc/08/72/51/571087251.db2.gz BHODJWGCRLBULR-LJQANCHMSA-N 1 0 370.924 5.314 40 0 FKABRO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038833696 205043402 /nfs/dbraw/zinc/04/34/02/205043402.db2.gz BHODJWGCRLBULR-IBGZPJMESA-N 1 0 370.924 5.314 40 0 FKABRO CC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000038833731 220858208 /nfs/dbraw/zinc/85/82/08/220858208.db2.gz SYTDSSPIZTVVHS-UHFFFAOYSA-N 1 0 350.506 5.438 40 0 FKABRO O=C(Nc1cccc2ccccc21)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038834089 208205261 /nfs/dbraw/zinc/20/52/61/208205261.db2.gz QPJIGTYDEWGJMW-UHFFFAOYSA-N 1 0 358.485 5.468 40 0 FKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1 ZINC000038834149 205042404 /nfs/dbraw/zinc/04/24/04/205042404.db2.gz BEJFQJRKQIFHNK-UHFFFAOYSA-N 1 0 358.485 5.324 40 0 FKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)C1 ZINC000038834150 571087126 /nfs/dbraw/zinc/08/71/26/571087126.db2.gz OSNQOSQTLZZGFP-GOSISDBHSA-N 1 0 358.485 5.324 40 0 FKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)C1 ZINC000038834151 220858755 /nfs/dbraw/zinc/85/87/55/220858755.db2.gz OSNQOSQTLZZGFP-SFHVURJKSA-N 1 0 358.485 5.324 40 0 FKABRO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038849532 571087592 /nfs/dbraw/zinc/08/75/92/571087592.db2.gz CEJARGGWULFERN-UHFFFAOYSA-N 1 0 356.897 5.277 40 0 FKABRO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038849533 571087806 /nfs/dbraw/zinc/08/78/06/571087806.db2.gz VSMIEEZIUAJSCJ-HNNXBMFYSA-N 1 0 356.897 5.133 40 0 FKABRO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038849534 571087809 /nfs/dbraw/zinc/08/78/09/571087809.db2.gz VSMIEEZIUAJSCJ-OAHLLOKOSA-N 1 0 356.897 5.133 40 0 FKABRO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038849587 211704230 /nfs/dbraw/zinc/70/42/30/211704230.db2.gz JVOHGABKUQQBMO-UHFFFAOYSA-N 1 0 356.897 5.277 40 0 FKABRO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038849589 205042764 /nfs/dbraw/zinc/04/27/64/205042764.db2.gz UOOOBFHXJKEXJU-HNNXBMFYSA-N 1 0 356.897 5.133 40 0 FKABRO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038849590 571087770 /nfs/dbraw/zinc/08/77/70/571087770.db2.gz UOOOBFHXJKEXJU-OAHLLOKOSA-N 1 0 356.897 5.133 40 0 FKABRO Cc1c(Cl)cccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038849645 571087586 /nfs/dbraw/zinc/08/75/86/571087586.db2.gz UHEVLRZIWQHYHD-UHFFFAOYSA-N 1 0 356.897 5.277 40 0 FKABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1Cl ZINC000038849698 208209307 /nfs/dbraw/zinc/20/93/07/208209307.db2.gz BZMWAOOHAIAIDI-UHFFFAOYSA-N 1 0 356.897 5.277 40 0 FKABRO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1Cl ZINC000038849699 208208198 /nfs/dbraw/zinc/20/81/98/208208198.db2.gz ASYUVORZLPVCRY-HNNXBMFYSA-N 1 0 356.897 5.133 40 0 FKABRO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000038849700 208207591 /nfs/dbraw/zinc/20/75/91/208207591.db2.gz ASYUVORZLPVCRY-OAHLLOKOSA-N 1 0 356.897 5.133 40 0 FKABRO CSc1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000038852579 205042344 /nfs/dbraw/zinc/04/23/44/205042344.db2.gz WWPMYKFGURVOAL-UHFFFAOYSA-N 1 0 354.519 5.037 40 0 FKABRO O=C(Nc1ccc(F)c(Cl)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038853498 571088434 /nfs/dbraw/zinc/08/84/34/571088434.db2.gz RXADHZOWGNRLSI-UHFFFAOYSA-N 1 0 360.860 5.107 40 0 FKABRO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000038856054 571088117 /nfs/dbraw/zinc/08/81/17/571088117.db2.gz SRXFNIMZKAIERA-LJQANCHMSA-N 1 0 370.924 5.116 40 0 FKABRO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000038856056 571088189 /nfs/dbraw/zinc/08/81/89/571088189.db2.gz SRXFNIMZKAIERA-IBGZPJMESA-N 1 0 370.924 5.116 40 0 FKABRO Cc1cc(C)c(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c(C)c1 ZINC000038856135 571088095 /nfs/dbraw/zinc/08/80/95/571088095.db2.gz XTJSMWALKFBBLR-UHFFFAOYSA-N 1 0 350.506 5.240 40 0 FKABRO Cc1cc(C)c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(C)c1 ZINC000038856137 208208357 /nfs/dbraw/zinc/20/83/57/208208357.db2.gz TXKTZCRJVUPLLC-UHFFFAOYSA-N 1 0 350.506 5.096 40 0 FKABRO Cc1cc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000038856139 571088311 /nfs/dbraw/zinc/08/83/11/571088311.db2.gz YNPFIVIYFQHHRV-INIZCTEOSA-N 1 0 350.506 5.096 40 0 FKABRO Cc1cc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000038856141 208209076 /nfs/dbraw/zinc/20/90/76/208209076.db2.gz YNPFIVIYFQHHRV-MRXNPFEDSA-N 1 0 350.506 5.096 40 0 FKABRO CCc1cccc(CC)c1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038856254 571088144 /nfs/dbraw/zinc/08/81/44/571088144.db2.gz CZPXUXPENIOYAU-UHFFFAOYSA-N 1 0 364.533 5.440 40 0 FKABRO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038856675 571088336 /nfs/dbraw/zinc/08/83/36/571088336.db2.gz OZBUSZQXHQJJEA-GOSISDBHSA-N 1 0 370.924 5.314 40 0 FKABRO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038856677 205042978 /nfs/dbraw/zinc/04/29/78/205042978.db2.gz OZBUSZQXHQJJEA-SFHVURJKSA-N 1 0 370.924 5.314 40 0 FKABRO CC(C)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038856754 208207326 /nfs/dbraw/zinc/20/73/26/208207326.db2.gz YBZXSSAVEAMOHF-UHFFFAOYSA-N 1 0 350.506 5.438 40 0 FKABRO CC(C)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000038856756 208208885 /nfs/dbraw/zinc/20/88/85/208208885.db2.gz HLRLDVPKIVSMHG-UHFFFAOYSA-N 1 0 350.506 5.294 40 0 FKABRO CCc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038856903 208207935 /nfs/dbraw/zinc/20/79/35/208207935.db2.gz XYXHDZWAUQKVMG-LJQANCHMSA-N 1 0 370.924 5.062 40 0 FKABRO CCc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038856905 208207182 /nfs/dbraw/zinc/20/71/82/208207182.db2.gz XYXHDZWAUQKVMG-IBGZPJMESA-N 1 0 370.924 5.062 40 0 FKABRO CCc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038856980 208207963 /nfs/dbraw/zinc/20/79/63/208207963.db2.gz IJCRSCMERSFRKH-UHFFFAOYSA-N 1 0 350.506 5.186 40 0 FKABRO CCc1cccc(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038856983 205043145 /nfs/dbraw/zinc/04/31/45/205043145.db2.gz FQXZRGFQWRBRQY-KRWDZBQOSA-N 1 0 350.506 5.042 40 0 FKABRO CCc1cccc(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038856986 571088090 /nfs/dbraw/zinc/08/80/90/571088090.db2.gz FQXZRGFQWRBRQY-QGZVFWFLSA-N 1 0 350.506 5.042 40 0 FKABRO Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038859918 205044721 /nfs/dbraw/zinc/04/47/21/205044721.db2.gz NESFCNSDXJJWFL-LJQANCHMSA-N 1 0 368.496 5.108 40 0 FKABRO Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038859922 571088327 /nfs/dbraw/zinc/08/83/27/571088327.db2.gz NESFCNSDXJJWFL-IBGZPJMESA-N 1 0 368.496 5.108 40 0 FKABRO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038859997 571088451 /nfs/dbraw/zinc/08/84/51/571088451.db2.gz HGPYWNJGSAHIDX-UHFFFAOYSA-N 1 0 364.533 5.747 40 0 FKABRO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039748170 263399756 /nfs/dbraw/zinc/39/97/56/263399756.db2.gz BCRWRTSJGKVWQX-UHFFFAOYSA-N 1 0 368.496 5.108 40 0 FKABRO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039749073 263399485 /nfs/dbraw/zinc/39/94/85/263399485.db2.gz LFXMWOVJJQPQKS-UHFFFAOYSA-N 1 0 370.924 5.062 40 0 FKABRO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c(C)c1 ZINC000039749215 263399482 /nfs/dbraw/zinc/39/94/82/263399482.db2.gz GQFJOMXHEPKUCM-UHFFFAOYSA-N 1 0 370.924 5.116 40 0 FKABRO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000039750212 571024599 /nfs/dbraw/zinc/02/45/99/571024599.db2.gz KHWUAFWDNHUWMJ-UHFFFAOYSA-N 1 0 370.924 5.314 40 0 FKABRO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039754679 263399513 /nfs/dbraw/zinc/39/95/13/263399513.db2.gz CYIDHNIKHAFHSH-UHFFFAOYSA-N 1 0 364.533 5.188 40 0 FKABRO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C)c1 ZINC000039755319 571025058 /nfs/dbraw/zinc/02/50/58/571025058.db2.gz HTBHHDWCZNNWHW-UHFFFAOYSA-N 1 0 370.924 5.116 40 0 FKABRO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039759704 571026286 /nfs/dbraw/zinc/02/62/86/571026286.db2.gz VSKGIFKUFNYWFH-UHFFFAOYSA-N 1 0 370.924 5.314 40 0 FKABRO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039766126 571023418 /nfs/dbraw/zinc/02/34/18/571023418.db2.gz FHEDTDUJMFVNAM-UHFFFAOYSA-N 1 0 370.924 5.314 40 0 FKABRO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039766652 571023702 /nfs/dbraw/zinc/02/37/02/571023702.db2.gz VAMFVGWYXRLVAT-UHFFFAOYSA-N 1 0 370.924 5.314 40 0 FKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 ZINC000039767174 571023488 /nfs/dbraw/zinc/02/34/88/571023488.db2.gz VSNPEAWUCXROQD-UHFFFAOYSA-N 1 0 364.533 5.278 40 0 FKABRO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039773136 571024096 /nfs/dbraw/zinc/02/40/96/571024096.db2.gz GQGHMMQDKQOWDJ-UHFFFAOYSA-N 1 0 368.496 5.019 40 0 FKABRO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039773226 571024082 /nfs/dbraw/zinc/02/40/82/571024082.db2.gz HKWKFGWNFHTCGX-UHFFFAOYSA-N 1 0 370.924 5.314 40 0 FKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)c1 ZINC000039773403 571024133 /nfs/dbraw/zinc/02/41/33/571024133.db2.gz GRIFPACUNSMXMN-UHFFFAOYSA-N 1 0 364.533 5.278 40 0 FKABRO C[N@@H+](C/C=C\c1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000040163421 571306331 /nfs/dbraw/zinc/30/63/31/571306331.db2.gz QTKQVDXGCWKEHE-KAMYIIQDSA-N 1 0 357.497 5.438 40 0 FKABRO CCCCCC[C@@H](CN(CCCC)CCCC)[NH+](CCCC)CCCC ZINC000043752078 571226899 /nfs/dbraw/zinc/22/68/99/571226899.db2.gz RZLYLUPSEZKQSN-DEOSSOPVSA-N 1 0 368.694 7.130 40 0 FKABRO CCCCCC[C@H](CN(CCCC)CCCC)[NH+](CCCC)CCCC ZINC000043752080 571226967 /nfs/dbraw/zinc/22/69/67/571226967.db2.gz RZLYLUPSEZKQSN-XMMPIXPASA-N 1 0 368.694 7.130 40 0 FKABRO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000044786858 571102158 /nfs/dbraw/zinc/10/21/58/571102158.db2.gz HOFUWJRUACBRQR-LJQANCHMSA-N 1 0 370.924 5.116 40 0 FKABRO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000044786860 571102225 /nfs/dbraw/zinc/10/22/25/571102225.db2.gz HOFUWJRUACBRQR-IBGZPJMESA-N 1 0 370.924 5.116 40 0 FKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1C ZINC000044856403 571103204 /nfs/dbraw/zinc/10/32/04/571103204.db2.gz UKNFHDXXYRUQEE-HXUWFJFHSA-N 1 0 364.533 5.170 40 0 FKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1C ZINC000044856404 571103193 /nfs/dbraw/zinc/10/31/93/571103193.db2.gz UKNFHDXXYRUQEE-FQEVSTJZSA-N 1 0 364.533 5.170 40 0 FKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C ZINC000044856405 571103207 /nfs/dbraw/zinc/10/32/07/571103207.db2.gz JVZCZPRUTWNVHW-HXUWFJFHSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C ZINC000044856406 205112595 /nfs/dbraw/zinc/11/25/95/205112595.db2.gz JVZCZPRUTWNVHW-FQEVSTJZSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1C ZINC000044856407 571306295 /nfs/dbraw/zinc/30/62/95/571306295.db2.gz ZKNQJRWTDLSMKQ-FXAWDEMLSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1C ZINC000044856408 571306334 /nfs/dbraw/zinc/30/63/34/571306334.db2.gz ZKNQJRWTDLSMKQ-PXNSSMCTSA-N 1 0 364.533 5.026 40 0 FKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C)c(C)c1 ZINC000044856555 571103180 /nfs/dbraw/zinc/10/31/80/571103180.db2.gz ZNJHKKRNQNQILX-QHCPKHFHSA-N 1 0 364.533 5.170 40 0 FKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C)c(C)c1 ZINC000044856556 571103184 /nfs/dbraw/zinc/10/31/84/571103184.db2.gz ZNJHKKRNQNQILX-HSZRJFAPSA-N 1 0 364.533 5.170 40 0 FKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C)cc1C ZINC000044856713 571103623 /nfs/dbraw/zinc/10/36/23/571103623.db2.gz LIBHIQSOLWLAOM-QHCPKHFHSA-N 1 0 364.533 5.170 40 0 FKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C)cc1C ZINC000044856714 571103598 /nfs/dbraw/zinc/10/35/98/571103598.db2.gz LIBHIQSOLWLAOM-HSZRJFAPSA-N 1 0 364.533 5.170 40 0 FKABRO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044905905 205115431 /nfs/dbraw/zinc/11/54/31/205115431.db2.gz WLIVJEOCAAUIIS-HXUWFJFHSA-N 1 0 364.533 5.170 40 0 FKABRO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044905907 571104556 /nfs/dbraw/zinc/10/45/56/571104556.db2.gz WLIVJEOCAAUIIS-FQEVSTJZSA-N 1 0 364.533 5.170 40 0 FKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c(C)c1 ZINC000044935033 571105362 /nfs/dbraw/zinc/10/53/62/571105362.db2.gz XMUFVQKKMDKWQI-HXUWFJFHSA-N 1 0 364.533 5.170 40 0 FKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c(C)c1 ZINC000044935036 571105266 /nfs/dbraw/zinc/10/52/66/571105266.db2.gz XMUFVQKKMDKWQI-FQEVSTJZSA-N 1 0 364.533 5.170 40 0 FKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(C)c1 ZINC000044935039 211807552 /nfs/dbraw/zinc/80/75/52/211807552.db2.gz OLTPYIFRPBVWPJ-HXUWFJFHSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(C)c1 ZINC000044935042 571105388 /nfs/dbraw/zinc/10/53/88/571105388.db2.gz OLTPYIFRPBVWPJ-FQEVSTJZSA-N 1 0 364.533 5.026 40 0 FKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C)cc1 ZINC000044935881 211807256 /nfs/dbraw/zinc/80/72/56/211807256.db2.gz UKEYUWKFSJAQPZ-QHCPKHFHSA-N 1 0 364.533 5.252 40 0 FKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C)cc1 ZINC000044935883 211806686 /nfs/dbraw/zinc/80/66/86/211806686.db2.gz UKEYUWKFSJAQPZ-HSZRJFAPSA-N 1 0 364.533 5.252 40 0 FKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C)cc1 ZINC000044935886 205116608 /nfs/dbraw/zinc/11/66/08/205116608.db2.gz QQIOJBFMZLOSJF-QHCPKHFHSA-N 1 0 364.533 5.108 40 0 FKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C)cc1 ZINC000044935889 205116825 /nfs/dbraw/zinc/11/68/25/205116825.db2.gz QQIOJBFMZLOSJF-HSZRJFAPSA-N 1 0 364.533 5.108 40 0 FKABRO CCSc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044938695 205116307 /nfs/dbraw/zinc/11/63/07/205116307.db2.gz QKVUQKJQSMJSIF-UHFFFAOYSA-N 1 0 368.546 5.427 40 0 FKABRO Cc1ccc2oc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000049168842 206086275 /nfs/dbraw/zinc/08/62/75/206086275.db2.gz BAOCANISKWSGIX-HNNXBMFYSA-N 1 0 360.379 5.145 40 0 biogenic,in-vitro FKABRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000049168965 209334242 /nfs/dbraw/zinc/33/42/42/209334242.db2.gz VKKAIPKMPSFGOJ-AWEZNQCLSA-N 1 0 362.420 5.305 40 0 biogenic,in-vitro FKABRO Clc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4Cl)C3)o2)cc1 ZINC000049169400 221020154 /nfs/dbraw/zinc/02/01/54/221020154.db2.gz WWFNNTUFQKZCSK-HNNXBMFYSA-N 1 0 374.271 5.033 40 0 biogenic,in-vitro FKABRO Oc1ccc(CC[NH2+]Cc2cc3sccc3n2CC2CCCCC2)cc1 ZINC000057719504 206389131 /nfs/dbraw/zinc/38/91/31/206389131.db2.gz FNKZUZMKASUVKE-UHFFFAOYSA-N 1 0 368.546 5.321 40 0 FKABRO CC(C)c1ncc(C[NH2+][C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000057774214 206387927 /nfs/dbraw/zinc/38/79/27/206387927.db2.gz FWWIJUZGOPAXGF-UWHLTILDSA-N 1 0 369.940 5.315 40 0 FKABRO CC(C)c1ncc(C[NH2+][C@@H]2[C@H]3CCCC[C@H]3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000057774216 221092676 /nfs/dbraw/zinc/09/26/76/221092676.db2.gz FWWIJUZGOPAXGF-PLACYPQZSA-N 1 0 369.940 5.315 40 0 FKABRO CC(C)c1ncc(C[NH2+][C@@H]2[C@@H]3CCCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000057774218 221092853 /nfs/dbraw/zinc/09/28/53/221092853.db2.gz FWWIJUZGOPAXGF-DOIPELPJSA-N 1 0 369.940 5.315 40 0 FKABRO CC(C)c1ncc(C[NH2+][C@@H]2[C@@H]3CCCC[C@H]3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000057774221 221092893 /nfs/dbraw/zinc/09/28/93/221092893.db2.gz FWWIJUZGOPAXGF-XRXFAXGQSA-N 1 0 369.940 5.315 40 0 FKABRO COc1ccc(C2([NH2+]Cc3cnc(-c4ccccc4C)nc3)CCCC2)cc1 ZINC000057822814 221094531 /nfs/dbraw/zinc/09/45/31/221094531.db2.gz OWUFBPRNXSSTSN-UHFFFAOYSA-N 1 0 373.500 5.020 40 0 FKABRO C[NH+]1CCC(=C2c3ccccc3Sc3ccc(Br)cc32)CC1 ZINC000060130272 571136372 /nfs/dbraw/zinc/13/63/72/571136372.db2.gz UHGZJXZINNENOT-UHFFFAOYSA-N 1 0 372.331 5.441 40 0 FKABRO N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000067794689 571149809 /nfs/dbraw/zinc/14/98/09/571149809.db2.gz RIJWHLJUZPWPKV-ZIAGYGMSSA-N 1 0 350.076 5.000 40 0 FKABRO Clc1ccc(CN(Cc2ccc(Cl)cc2)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000072202941 570526804 /nfs/dbraw/zinc/52/68/04/570526804.db2.gz WENFUJHSGIDPNY-FQEVSTJZSA-N 1 0 363.332 5.138 40 0 FKABRO Clc1ccc(CN(Cc2ccc(Cl)cc2)C[C@H]2CCCC[NH2+]2)cc1 ZINC000072202942 570526815 /nfs/dbraw/zinc/52/68/15/570526815.db2.gz WENFUJHSGIDPNY-HXUWFJFHSA-N 1 0 363.332 5.138 40 0 FKABRO c1ccc(COc2ccc([C@H]3CCCC[N@@H+]3Cc3ccccc3)cn2)cc1 ZINC000072212045 570528112 /nfs/dbraw/zinc/52/81/12/570528112.db2.gz GFMAJFRLAZITRO-HSZRJFAPSA-N 1 0 358.485 5.388 40 0 FKABRO c1ccc(COc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccc3)cn2)cc1 ZINC000072212046 570528041 /nfs/dbraw/zinc/52/80/41/570528041.db2.gz GFMAJFRLAZITRO-QHCPKHFHSA-N 1 0 358.485 5.388 40 0 FKABRO c1ccc(COc2ncccc2[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000072212105 570528008 /nfs/dbraw/zinc/52/80/08/570528008.db2.gz HVZCMDBSUNHBTP-HSZRJFAPSA-N 1 0 358.485 5.388 40 0 FKABRO c1ccc(COc2ncccc2[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000072212106 570528096 /nfs/dbraw/zinc/52/80/96/570528096.db2.gz HVZCMDBSUNHBTP-QHCPKHFHSA-N 1 0 358.485 5.388 40 0 FKABRO CC(C)N(c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C(C)C ZINC000072212982 570528780 /nfs/dbraw/zinc/52/87/80/570528780.db2.gz KHUDMFJGFBZGMZ-QFIPXVFZSA-N 1 0 351.538 5.432 40 0 FKABRO CC(C)N(c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C(C)C ZINC000072212983 570528627 /nfs/dbraw/zinc/52/86/27/570528627.db2.gz KHUDMFJGFBZGMZ-JOCHJYFZSA-N 1 0 351.538 5.432 40 0 FKABRO CC(C)N(c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000072213042 570528667 /nfs/dbraw/zinc/52/86/67/570528667.db2.gz OYXCWEJFTGANMW-QFIPXVFZSA-N 1 0 351.538 5.432 40 0 FKABRO CC(C)N(c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000072213043 570528378 /nfs/dbraw/zinc/52/83/78/570528378.db2.gz OYXCWEJFTGANMW-JOCHJYFZSA-N 1 0 351.538 5.432 40 0 FKABRO CN(c1ccccc1)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214224 570529588 /nfs/dbraw/zinc/52/95/88/570529588.db2.gz FRBIDQLPOBIFGH-QHCPKHFHSA-N 1 0 357.501 5.577 40 0 FKABRO CN(c1ccccc1)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214225 570529489 /nfs/dbraw/zinc/52/94/89/570529489.db2.gz FRBIDQLPOBIFGH-HSZRJFAPSA-N 1 0 357.501 5.577 40 0 FKABRO CN(c1ccccc1)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214284 570530167 /nfs/dbraw/zinc/53/01/67/570530167.db2.gz CTJZTIBPMVTCJN-QHCPKHFHSA-N 1 0 357.501 5.577 40 0 FKABRO CN(c1ccccc1)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214285 570530098 /nfs/dbraw/zinc/53/00/98/570530098.db2.gz CTJZTIBPMVTCJN-HSZRJFAPSA-N 1 0 357.501 5.577 40 0 FKABRO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214344 570529869 /nfs/dbraw/zinc/52/98/69/570529869.db2.gz KAQQKJYFOBXLAK-IBGZPJMESA-N 1 0 367.493 5.156 40 0 FKABRO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214345 570529935 /nfs/dbraw/zinc/52/99/35/570529935.db2.gz KAQQKJYFOBXLAK-LJQANCHMSA-N 1 0 367.493 5.156 40 0 FKABRO CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214404 570530007 /nfs/dbraw/zinc/53/00/07/570530007.db2.gz NEEBFTCUNCZNKS-IBGZPJMESA-N 1 0 367.493 5.156 40 0 FKABRO CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214405 570530122 /nfs/dbraw/zinc/53/01/22/570530122.db2.gz NEEBFTCUNCZNKS-LJQANCHMSA-N 1 0 367.493 5.156 40 0 FKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214557 570530149 /nfs/dbraw/zinc/53/01/49/570530149.db2.gz FLDZYMYCWPJIKH-SFHVURJKSA-N 1 0 361.530 5.024 40 0 FKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214558 570530073 /nfs/dbraw/zinc/53/00/73/570530073.db2.gz FLDZYMYCWPJIKH-GOSISDBHSA-N 1 0 361.530 5.024 40 0 FKABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214559 570530052 /nfs/dbraw/zinc/53/00/52/570530052.db2.gz ULZQGROYUTUFOD-GOSISDBHSA-N 1 0 361.530 5.026 40 0 FKABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214560 570529859 /nfs/dbraw/zinc/52/98/59/570529859.db2.gz ULZQGROYUTUFOD-SFHVURJKSA-N 1 0 361.530 5.026 40 0 FKABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214574 570530093 /nfs/dbraw/zinc/53/00/93/570530093.db2.gz QQELROOZVCRIQC-GOSISDBHSA-N 1 0 361.530 5.026 40 0 FKABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214575 570530027 /nfs/dbraw/zinc/53/00/27/570530027.db2.gz QQELROOZVCRIQC-SFHVURJKSA-N 1 0 361.530 5.026 40 0 FKABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072214640 570529881 /nfs/dbraw/zinc/52/98/81/570529881.db2.gz PSIXEMOOVYWOSZ-SFHVURJKSA-N 1 0 361.530 5.026 40 0 FKABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072214641 570529913 /nfs/dbraw/zinc/52/99/13/570529913.db2.gz PSIXEMOOVYWOSZ-GOSISDBHSA-N 1 0 361.530 5.026 40 0 FKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214642 570529967 /nfs/dbraw/zinc/52/99/67/570529967.db2.gz NUNNEUHLGVLVPZ-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214643 570529849 /nfs/dbraw/zinc/52/98/49/570529849.db2.gz NUNNEUHLGVLVPZ-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072214681 570530042 /nfs/dbraw/zinc/53/00/42/570530042.db2.gz DULBAIIRTIPUFQ-SFHVURJKSA-N 1 0 361.530 5.026 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072214682 570530083 /nfs/dbraw/zinc/53/00/83/570530083.db2.gz DULBAIIRTIPUFQ-GOSISDBHSA-N 1 0 361.530 5.026 40 0 FKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214683 570529993 /nfs/dbraw/zinc/52/99/93/570529993.db2.gz SJPJEGBTOQDLTL-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214684 570530106 /nfs/dbraw/zinc/53/01/06/570530106.db2.gz SJPJEGBTOQDLTL-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC000072214696 570529925 /nfs/dbraw/zinc/52/99/25/570529925.db2.gz AYTGCTFRUCNTNZ-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1 ZINC000072214697 570529836 /nfs/dbraw/zinc/52/98/36/570529836.db2.gz AYTGCTFRUCNTNZ-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214698 570529886 /nfs/dbraw/zinc/52/98/86/570529886.db2.gz SCMHPBPKBOWNEA-SFHVURJKSA-N 1 0 361.530 5.169 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214699 570530132 /nfs/dbraw/zinc/53/01/32/570530132.db2.gz SCMHPBPKBOWNEA-GOSISDBHSA-N 1 0 361.530 5.169 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072214741 570530316 /nfs/dbraw/zinc/53/03/16/570530316.db2.gz GADIMLFFPZYYPJ-SFHVURJKSA-N 1 0 361.530 5.026 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072214742 570530513 /nfs/dbraw/zinc/53/05/13/570530513.db2.gz GADIMLFFPZYYPJ-GOSISDBHSA-N 1 0 361.530 5.026 40 0 FKABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214743 570530554 /nfs/dbraw/zinc/53/05/54/570530554.db2.gz OQECNOZQWXPFRL-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214744 570530330 /nfs/dbraw/zinc/53/03/30/570530330.db2.gz OQECNOZQWXPFRL-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CCC ZINC000072214756 570530651 /nfs/dbraw/zinc/53/06/51/570530651.db2.gz UUJWQFUQRFNTGO-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CCC ZINC000072214757 570530547 /nfs/dbraw/zinc/53/05/47/570530547.db2.gz UUJWQFUQRFNTGO-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072214758 570530656 /nfs/dbraw/zinc/53/06/56/570530656.db2.gz NXHFUQTVSOVQDV-SFHVURJKSA-N 1 0 361.530 5.169 40 0 FKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072214759 570530538 /nfs/dbraw/zinc/53/05/38/570530538.db2.gz NXHFUQTVSOVQDV-GOSISDBHSA-N 1 0 361.530 5.169 40 0 FKABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072214820 570530660 /nfs/dbraw/zinc/53/06/60/570530660.db2.gz JDJSSMOFFGDTQS-SFHVURJKSA-N 1 0 361.530 5.026 40 0 FKABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072214821 570530615 /nfs/dbraw/zinc/53/06/15/570530615.db2.gz JDJSSMOFFGDTQS-GOSISDBHSA-N 1 0 361.530 5.026 40 0 FKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214822 570530484 /nfs/dbraw/zinc/53/04/84/570530484.db2.gz QSSFKIDHSJKRJN-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214823 570530580 /nfs/dbraw/zinc/53/05/80/570530580.db2.gz QSSFKIDHSJKRJN-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214861 570530507 /nfs/dbraw/zinc/53/05/07/570530507.db2.gz QULLXQWXIGPPBI-GOSISDBHSA-N 1 0 361.530 5.024 40 0 FKABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214862 570530477 /nfs/dbraw/zinc/53/04/77/570530477.db2.gz QULLXQWXIGPPBI-SFHVURJKSA-N 1 0 361.530 5.024 40 0 FKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214863 570530604 /nfs/dbraw/zinc/53/06/04/570530604.db2.gz BRVWSOQKNJLNMK-GOSISDBHSA-N 1 0 361.530 5.169 40 0 FKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214864 570530425 /nfs/dbraw/zinc/53/04/25/570530425.db2.gz BRVWSOQKNJLNMK-SFHVURJKSA-N 1 0 361.530 5.169 40 0 FKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214876 570530345 /nfs/dbraw/zinc/53/03/45/570530345.db2.gz IASFAFJUOKIVNC-GOSISDBHSA-N 1 0 361.530 5.169 40 0 FKABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214877 570530575 /nfs/dbraw/zinc/53/05/75/570530575.db2.gz IASFAFJUOKIVNC-SFHVURJKSA-N 1 0 361.530 5.169 40 0 FKABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214878 570530641 /nfs/dbraw/zinc/53/06/41/570530641.db2.gz LJKUOEHHRQLDFT-GOSISDBHSA-N 1 0 361.530 5.167 40 0 FKABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214879 570530521 /nfs/dbraw/zinc/53/05/21/570530521.db2.gz LJKUOEHHRQLDFT-SFHVURJKSA-N 1 0 361.530 5.167 40 0 FKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214921 570530622 /nfs/dbraw/zinc/53/06/22/570530622.db2.gz XHDPYAXMVITFLT-GOSISDBHSA-N 1 0 361.530 5.024 40 0 FKABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214922 570530384 /nfs/dbraw/zinc/53/03/84/570530384.db2.gz XHDPYAXMVITFLT-SFHVURJKSA-N 1 0 361.530 5.024 40 0 FKABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214923 570530597 /nfs/dbraw/zinc/53/05/97/570530597.db2.gz QTYWKGHCZMEWBH-GOSISDBHSA-N 1 0 361.530 5.169 40 0 FKABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214924 570530414 /nfs/dbraw/zinc/53/04/14/570530414.db2.gz QTYWKGHCZMEWBH-SFHVURJKSA-N 1 0 361.530 5.169 40 0 FKABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214936 570530359 /nfs/dbraw/zinc/53/03/59/570530359.db2.gz NHKRJQUCCQUWAC-GOSISDBHSA-N 1 0 361.530 5.169 40 0 FKABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214937 570530494 /nfs/dbraw/zinc/53/04/94/570530494.db2.gz NHKRJQUCCQUWAC-SFHVURJKSA-N 1 0 361.530 5.169 40 0 FKABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072214938 570530567 /nfs/dbraw/zinc/53/05/67/570530567.db2.gz SUKNHVXKVYYYPU-GOSISDBHSA-N 1 0 361.530 5.167 40 0 FKABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072214939 570530637 /nfs/dbraw/zinc/53/06/37/570530637.db2.gz SUKNHVXKVYYYPU-SFHVURJKSA-N 1 0 361.530 5.167 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214977 570530632 /nfs/dbraw/zinc/53/06/32/570530632.db2.gz NRSXOTMCVAQGOU-SFHVURJKSA-N 1 0 361.530 5.169 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214978 570530587 /nfs/dbraw/zinc/53/05/87/570530587.db2.gz NRSXOTMCVAQGOU-GOSISDBHSA-N 1 0 361.530 5.169 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CCC)cn1 ZINC000072214979 570530399 /nfs/dbraw/zinc/53/03/99/570530399.db2.gz LZFPWXSQPQBGRK-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CCC)cn1 ZINC000072214980 570530465 /nfs/dbraw/zinc/53/04/65/570530465.db2.gz LZFPWXSQPQBGRK-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072214994 570530560 /nfs/dbraw/zinc/53/05/60/570530560.db2.gz GLBJRQHKZBVNLG-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072214995 570530445 /nfs/dbraw/zinc/53/04/45/570530445.db2.gz GLBJRQHKZBVNLG-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072215037 570530645 /nfs/dbraw/zinc/53/06/45/570530645.db2.gz LGEIMSXWYIZDLH-SFHVURJKSA-N 1 0 361.530 5.169 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072215038 570530529 /nfs/dbraw/zinc/53/05/29/570530529.db2.gz LGEIMSXWYIZDLH-GOSISDBHSA-N 1 0 361.530 5.169 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CCC ZINC000072215039 570531075 /nfs/dbraw/zinc/53/10/75/570531075.db2.gz DJIQMLUQBKQOPW-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CCC ZINC000072215040 570530803 /nfs/dbraw/zinc/53/08/03/570530803.db2.gz DJIQMLUQBKQOPW-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072215054 570531105 /nfs/dbraw/zinc/53/11/05/570531105.db2.gz SYQKKCGIESNSRO-SFHVURJKSA-N 1 0 361.530 5.170 40 0 FKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072215055 570531094 /nfs/dbraw/zinc/53/10/94/570531094.db2.gz SYQKKCGIESNSRO-GOSISDBHSA-N 1 0 361.530 5.170 40 0 FKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072215115 570530932 /nfs/dbraw/zinc/53/09/32/570530932.db2.gz GPXIWYQIHNNMMD-AEFFLSMTSA-N 1 0 361.530 5.167 40 0 FKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072215116 570531042 /nfs/dbraw/zinc/53/10/42/570531042.db2.gz GPXIWYQIHNNMMD-WMZOPIPTSA-N 1 0 361.530 5.167 40 0 FKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072215117 570531004 /nfs/dbraw/zinc/53/10/04/570531004.db2.gz GPXIWYQIHNNMMD-SJLPKXTDSA-N 1 0 361.530 5.167 40 0 FKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072215118 570531111 /nfs/dbraw/zinc/53/11/11/570531111.db2.gz GPXIWYQIHNNMMD-FUHWJXTLSA-N 1 0 361.530 5.167 40 0 FKABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215119 570531120 /nfs/dbraw/zinc/53/11/20/570531120.db2.gz DVFGELBPMWYQMT-FUHWJXTLSA-N 1 0 361.530 5.169 40 0 FKABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215120 570530988 /nfs/dbraw/zinc/53/09/88/570530988.db2.gz DVFGELBPMWYQMT-WMZOPIPTSA-N 1 0 361.530 5.169 40 0 FKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072215145 570531063 /nfs/dbraw/zinc/53/10/63/570531063.db2.gz QDFIDWLGSAYJAM-AEFFLSMTSA-N 1 0 361.530 5.169 40 0 FKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072215146 570531124 /nfs/dbraw/zinc/53/11/24/570531124.db2.gz QDFIDWLGSAYJAM-WMZOPIPTSA-N 1 0 361.530 5.169 40 0 FKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072215147 570531051 /nfs/dbraw/zinc/53/10/51/570531051.db2.gz QDFIDWLGSAYJAM-SJLPKXTDSA-N 1 0 361.530 5.169 40 0 FKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072215148 570531140 /nfs/dbraw/zinc/53/11/40/570531140.db2.gz QDFIDWLGSAYJAM-FUHWJXTLSA-N 1 0 361.530 5.169 40 0 FKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072215227 570530872 /nfs/dbraw/zinc/53/08/72/570530872.db2.gz NVNWYYCPAHNRHS-AEFFLSMTSA-N 1 0 361.530 5.167 40 0 FKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072215228 570530837 /nfs/dbraw/zinc/53/08/37/570530837.db2.gz NVNWYYCPAHNRHS-WMZOPIPTSA-N 1 0 361.530 5.167 40 0 FKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072215229 570531145 /nfs/dbraw/zinc/53/11/45/570531145.db2.gz NVNWYYCPAHNRHS-SJLPKXTDSA-N 1 0 361.530 5.167 40 0 FKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072215230 570531135 /nfs/dbraw/zinc/53/11/35/570531135.db2.gz NVNWYYCPAHNRHS-FUHWJXTLSA-N 1 0 361.530 5.167 40 0 FKABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215231 570531069 /nfs/dbraw/zinc/53/10/69/570531069.db2.gz ACNVLENRHNVGCA-FUHWJXTLSA-N 1 0 361.530 5.169 40 0 FKABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215232 570530967 /nfs/dbraw/zinc/53/09/67/570530967.db2.gz ACNVLENRHNVGCA-WMZOPIPTSA-N 1 0 361.530 5.169 40 0 FKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072215257 570530886 /nfs/dbraw/zinc/53/08/86/570530886.db2.gz OUQNPYQOOXIBHM-AEFFLSMTSA-N 1 0 361.530 5.169 40 0 FKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072215258 570530900 /nfs/dbraw/zinc/53/09/00/570530900.db2.gz OUQNPYQOOXIBHM-WMZOPIPTSA-N 1 0 361.530 5.169 40 0 FKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072215259 570531130 /nfs/dbraw/zinc/53/11/30/570531130.db2.gz OUQNPYQOOXIBHM-SJLPKXTDSA-N 1 0 361.530 5.169 40 0 FKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072215260 570531115 /nfs/dbraw/zinc/53/11/15/570531115.db2.gz OUQNPYQOOXIBHM-FUHWJXTLSA-N 1 0 361.530 5.169 40 0 FKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215344 570531482 /nfs/dbraw/zinc/53/14/82/570531482.db2.gz DPVJBLMBRCJOLT-LJQANCHMSA-N 1 0 373.541 5.169 40 0 FKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215345 570531411 /nfs/dbraw/zinc/53/14/11/570531411.db2.gz DPVJBLMBRCJOLT-IBGZPJMESA-N 1 0 373.541 5.169 40 0 FKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215346 570531646 /nfs/dbraw/zinc/53/16/46/570531646.db2.gz AQQBBTLALCOZEA-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215347 570531607 /nfs/dbraw/zinc/53/16/07/570531607.db2.gz AQQBBTLALCOZEA-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215404 570531595 /nfs/dbraw/zinc/53/15/95/570531595.db2.gz AXTCITGLFAUGOG-LJQANCHMSA-N 1 0 373.541 5.169 40 0 FKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215405 570531498 /nfs/dbraw/zinc/53/14/98/570531498.db2.gz AXTCITGLFAUGOG-IBGZPJMESA-N 1 0 373.541 5.169 40 0 FKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215406 570531563 /nfs/dbraw/zinc/53/15/63/570531563.db2.gz VMQYTVYMSRJUJL-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215407 570531571 /nfs/dbraw/zinc/53/15/71/570531571.db2.gz VMQYTVYMSRJUJL-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215445 570531513 /nfs/dbraw/zinc/53/15/13/570531513.db2.gz AGHLVHDRAJMNKN-LJQANCHMSA-N 1 0 373.541 5.169 40 0 FKABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215446 570531559 /nfs/dbraw/zinc/53/15/59/570531559.db2.gz AGHLVHDRAJMNKN-IBGZPJMESA-N 1 0 373.541 5.169 40 0 FKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215447 570531506 /nfs/dbraw/zinc/53/15/06/570531506.db2.gz SFOYRWJIGJJCLR-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215448 570531492 /nfs/dbraw/zinc/53/14/92/570531492.db2.gz SFOYRWJIGJJCLR-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215460 570531666 /nfs/dbraw/zinc/53/16/66/570531666.db2.gz HCDGTRCQHGJSOC-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215461 570531552 /nfs/dbraw/zinc/53/15/52/570531552.db2.gz HCDGTRCQHGJSOC-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215462 570531436 /nfs/dbraw/zinc/53/14/36/570531436.db2.gz TUIWVBDCQBWSPC-LJQANCHMSA-N 1 0 373.541 5.311 40 0 FKABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215463 570531617 /nfs/dbraw/zinc/53/16/17/570531617.db2.gz TUIWVBDCQBWSPC-IBGZPJMESA-N 1 0 373.541 5.311 40 0 FKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215505 570531445 /nfs/dbraw/zinc/53/14/45/570531445.db2.gz UTWLGSRGHTVNCG-LJQANCHMSA-N 1 0 373.541 5.169 40 0 FKABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215506 570531452 /nfs/dbraw/zinc/53/14/52/570531452.db2.gz UTWLGSRGHTVNCG-IBGZPJMESA-N 1 0 373.541 5.169 40 0 FKABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215507 570531460 /nfs/dbraw/zinc/53/14/60/570531460.db2.gz UQWHCCRHGDIBTJ-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215508 570531635 /nfs/dbraw/zinc/53/16/35/570531635.db2.gz UQWHCCRHGDIBTJ-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215520 570532007 /nfs/dbraw/zinc/53/20/07/570532007.db2.gz MUPBHBQYRMVAMF-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215521 570532001 /nfs/dbraw/zinc/53/20/01/570532001.db2.gz MUPBHBQYRMVAMF-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215522 570532159 /nfs/dbraw/zinc/53/21/59/570532159.db2.gz UQHAISRZXFJCTR-LJQANCHMSA-N 1 0 373.541 5.311 40 0 FKABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215523 570532112 /nfs/dbraw/zinc/53/21/12/570532112.db2.gz UQHAISRZXFJCTR-IBGZPJMESA-N 1 0 373.541 5.311 40 0 FKABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215561 570532239 /nfs/dbraw/zinc/53/22/39/570532239.db2.gz XYGPFMWRWDBZSU-LJQANCHMSA-N 1 0 373.541 5.311 40 0 FKABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215562 570531950 /nfs/dbraw/zinc/53/19/50/570531950.db2.gz XYGPFMWRWDBZSU-IBGZPJMESA-N 1 0 373.541 5.311 40 0 FKABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215563 570532140 /nfs/dbraw/zinc/53/21/40/570532140.db2.gz CDOLGYMFRHXHKG-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215564 570531982 /nfs/dbraw/zinc/53/19/82/570531982.db2.gz CDOLGYMFRHXHKG-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215578 570532014 /nfs/dbraw/zinc/53/20/14/570532014.db2.gz YENKQSBGNWHDQB-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215579 570532188 /nfs/dbraw/zinc/53/21/88/570532188.db2.gz YENKQSBGNWHDQB-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215621 570527604 /nfs/dbraw/zinc/52/76/04/570527604.db2.gz LTEPVPYTYBMSFX-LJQANCHMSA-N 1 0 373.541 5.311 40 0 FKABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215622 570527611 /nfs/dbraw/zinc/52/76/11/570527611.db2.gz LTEPVPYTYBMSFX-IBGZPJMESA-N 1 0 373.541 5.311 40 0 FKABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215623 570527635 /nfs/dbraw/zinc/52/76/35/570527635.db2.gz GPZVVFKCECJGNF-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215624 570527505 /nfs/dbraw/zinc/52/75/05/570527505.db2.gz GPZVVFKCECJGNF-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215638 570527661 /nfs/dbraw/zinc/52/76/61/570527661.db2.gz RKDCXBDHDQHOLZ-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215639 570527531 /nfs/dbraw/zinc/52/75/31/570527531.db2.gz RKDCXBDHDQHOLZ-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215673 570532893 /nfs/dbraw/zinc/53/28/93/570532893.db2.gz PRWFZDQJQHAAFP-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215674 570532939 /nfs/dbraw/zinc/53/29/39/570532939.db2.gz PRWFZDQJQHAAFP-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215696 570532866 /nfs/dbraw/zinc/53/28/66/570532866.db2.gz VTFLRMYIGAHHSN-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215697 570532983 /nfs/dbraw/zinc/53/29/83/570532983.db2.gz VTFLRMYIGAHHSN-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215733 570533019 /nfs/dbraw/zinc/53/30/19/570533019.db2.gz CUSLBKXYDUYQFR-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215734 570532904 /nfs/dbraw/zinc/53/29/04/570532904.db2.gz CUSLBKXYDUYQFR-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215756 570532887 /nfs/dbraw/zinc/53/28/87/570532887.db2.gz BUVMTCBAXYHGOY-IBGZPJMESA-N 1 0 373.541 5.313 40 0 FKABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215757 570532957 /nfs/dbraw/zinc/53/29/57/570532957.db2.gz BUVMTCBAXYHGOY-LJQANCHMSA-N 1 0 373.541 5.313 40 0 FKABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215793 570533040 /nfs/dbraw/zinc/53/30/40/570533040.db2.gz KQASWKJKSQNHSO-LJQANCHMSA-N 1 0 367.493 5.312 40 0 FKABRO CC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215794 570532964 /nfs/dbraw/zinc/53/29/64/570532964.db2.gz KQASWKJKSQNHSO-IBGZPJMESA-N 1 0 367.493 5.312 40 0 FKABRO C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215816 570532929 /nfs/dbraw/zinc/53/29/29/570532929.db2.gz BBIOKLAWSYFWST-IBGZPJMESA-N 1 0 367.493 5.312 40 0 FKABRO C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215817 570532971 /nfs/dbraw/zinc/53/29/71/570532971.db2.gz BBIOKLAWSYFWST-LJQANCHMSA-N 1 0 367.493 5.312 40 0 FKABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215853 570533512 /nfs/dbraw/zinc/53/35/12/570533512.db2.gz LJQCBXMAVDOKPN-LJQANCHMSA-N 1 0 367.493 5.312 40 0 FKABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215854 570533358 /nfs/dbraw/zinc/53/33/58/570533358.db2.gz LJQCBXMAVDOKPN-IBGZPJMESA-N 1 0 367.493 5.312 40 0 FKABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217230 570531935 /nfs/dbraw/zinc/53/19/35/570531935.db2.gz GYKNAWZMBOWBGV-OAQYLSRUSA-N 1 0 352.547 5.844 40 0 FKABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217231 570532037 /nfs/dbraw/zinc/53/20/37/570532037.db2.gz GYKNAWZMBOWBGV-NRFANRHFSA-N 1 0 352.547 5.844 40 0 FKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217267 570531961 /nfs/dbraw/zinc/53/19/61/570531961.db2.gz DQLBXWQOQVZXFL-JOCHJYFZSA-N 1 0 366.574 6.234 40 0 FKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217268 570531968 /nfs/dbraw/zinc/53/19/68/570531968.db2.gz DQLBXWQOQVZXFL-QFIPXVFZSA-N 1 0 366.574 6.234 40 0 FKABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217290 570532056 /nfs/dbraw/zinc/53/20/56/570532056.db2.gz DPHTVSJKGMPQBX-OAQYLSRUSA-N 1 0 352.547 5.844 40 0 FKABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217291 570531991 /nfs/dbraw/zinc/53/19/91/570531991.db2.gz DPHTVSJKGMPQBX-NRFANRHFSA-N 1 0 352.547 5.844 40 0 FKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217327 570532151 /nfs/dbraw/zinc/53/21/51/570532151.db2.gz OZLVOGNJRPRSRL-JOCHJYFZSA-N 1 0 366.574 6.234 40 0 FKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217328 570532172 /nfs/dbraw/zinc/53/21/72/570532172.db2.gz OZLVOGNJRPRSRL-QFIPXVFZSA-N 1 0 366.574 6.234 40 0 FKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217627 570532526 /nfs/dbraw/zinc/53/25/26/570532526.db2.gz GLTSZHKAUDMKMO-JOCHJYFZSA-N 1 0 360.526 5.960 40 0 FKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217628 570532457 /nfs/dbraw/zinc/53/24/57/570532457.db2.gz GLTSZHKAUDMKMO-QFIPXVFZSA-N 1 0 360.526 5.960 40 0 FKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217687 570532497 /nfs/dbraw/zinc/53/24/97/570532497.db2.gz SMHULYPLIIIDMB-JOCHJYFZSA-N 1 0 360.526 5.960 40 0 FKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217688 570532624 /nfs/dbraw/zinc/53/26/24/570532624.db2.gz SMHULYPLIIIDMB-QFIPXVFZSA-N 1 0 360.526 5.960 40 0 FKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC(C)C)C=C3C)nc21 ZINC000072320973 560077117 /nfs/dbraw/zinc/07/71/17/560077117.db2.gz SEVWXXBPRGOORX-ACRUOGEOSA-N 1 0 367.581 5.514 40 0 biogenic,in-vitro FKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C(C)C)C=C3C)nc21 ZINC000072320980 205030126 /nfs/dbraw/zinc/03/01/26/205030126.db2.gz YKRVTFSBFKRAFD-UFYCRDLUSA-N 1 0 353.554 5.266 40 0 biogenic,in-vitro FKABRO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072357685 571182711 /nfs/dbraw/zinc/18/27/11/571182711.db2.gz ACMJURPOIXCDRI-QFIPXVFZSA-N 1 0 363.892 5.058 40 0 FKABRO Clc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072357686 571182641 /nfs/dbraw/zinc/18/26/41/571182641.db2.gz ACMJURPOIXCDRI-JOCHJYFZSA-N 1 0 363.892 5.058 40 0 FKABRO Clc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072357687 571182653 /nfs/dbraw/zinc/18/26/53/571182653.db2.gz RAJOKPJRLUOBKX-QFIPXVFZSA-N 1 0 363.892 5.058 40 0 FKABRO Clc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072357688 571182563 /nfs/dbraw/zinc/18/25/63/571182563.db2.gz RAJOKPJRLUOBKX-JOCHJYFZSA-N 1 0 363.892 5.058 40 0 FKABRO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357719 571183019 /nfs/dbraw/zinc/18/30/19/571183019.db2.gz USHGHVMEFZIVAC-QFIPXVFZSA-N 1 0 363.892 5.058 40 0 FKABRO Clc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357720 571183041 /nfs/dbraw/zinc/18/30/41/571183041.db2.gz USHGHVMEFZIVAC-JOCHJYFZSA-N 1 0 363.892 5.058 40 0 FKABRO Cc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3ccc(O)cc3)n2)cc1 ZINC000072357898 571182995 /nfs/dbraw/zinc/18/29/95/571182995.db2.gz XFWHGJGPDXSZHY-DEOSSOPVSA-N 1 0 358.485 5.024 40 0 FKABRO Cc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3ccc(O)cc3)n2)cc1 ZINC000072357899 571182986 /nfs/dbraw/zinc/18/29/86/571182986.db2.gz XFWHGJGPDXSZHY-XMMPIXPASA-N 1 0 358.485 5.024 40 0 FKABRO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000072380349 571188181 /nfs/dbraw/zinc/18/81/81/571188181.db2.gz HBILLSJAEMVCIR-JOCHJYFZSA-N 1 0 372.447 5.101 40 0 FKABRO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000072380350 571188130 /nfs/dbraw/zinc/18/81/30/571188130.db2.gz HBILLSJAEMVCIR-QFIPXVFZSA-N 1 0 372.447 5.101 40 0 FKABRO Fc1ccccc1-c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000072380351 571188157 /nfs/dbraw/zinc/18/81/57/571188157.db2.gz JBILWRJWVQZBIQ-QFIPXVFZSA-N 1 0 372.447 5.101 40 0 FKABRO Fc1ccccc1-c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000072380352 571188154 /nfs/dbraw/zinc/18/81/54/571188154.db2.gz JBILWRJWVQZBIQ-JOCHJYFZSA-N 1 0 372.447 5.101 40 0 FKABRO c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)c1-c1ccccc1 ZINC000072380357 571188005 /nfs/dbraw/zinc/18/80/05/571188005.db2.gz LPDNLOYBIBDEJW-OAQYLSRUSA-N 1 0 368.484 5.005 40 0 FKABRO c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)c1-c1ccccc1 ZINC000072380358 571188019 /nfs/dbraw/zinc/18/80/19/571188019.db2.gz LPDNLOYBIBDEJW-NRFANRHFSA-N 1 0 368.484 5.005 40 0 FKABRO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)cc1 ZINC000072380367 571188168 /nfs/dbraw/zinc/18/81/68/571188168.db2.gz RFUBUHHBYMOAQG-JOCHJYFZSA-N 1 0 372.447 5.101 40 0 FKABRO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)cc1 ZINC000072380368 571188141 /nfs/dbraw/zinc/18/81/41/571188141.db2.gz RFUBUHHBYMOAQG-QFIPXVFZSA-N 1 0 372.447 5.101 40 0 FKABRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000072390079 571189664 /nfs/dbraw/zinc/18/96/64/571189664.db2.gz XWLSUIYVWSHAIS-SFHVURJKSA-N 1 0 367.518 5.301 40 0 FKABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000072390080 571189684 /nfs/dbraw/zinc/18/96/84/571189684.db2.gz XWLSUIYVWSHAIS-GOSISDBHSA-N 1 0 367.518 5.301 40 0 FKABRO CCOc1ccc([C@@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393371 571190277 /nfs/dbraw/zinc/19/02/77/571190277.db2.gz ZHSROVMTPARQBT-MRXNPFEDSA-N 1 0 351.494 5.278 40 0 FKABRO CCOc1ccc([C@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393372 571190240 /nfs/dbraw/zinc/19/02/40/571190240.db2.gz ZHSROVMTPARQBT-INIZCTEOSA-N 1 0 351.494 5.278 40 0 FKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCC4)C=C3C)nc21 ZINC000077262171 208198131 /nfs/dbraw/zinc/19/81/31/208198131.db2.gz HILXSGUSLUJUQM-ZJOUEHCJSA-N 1 0 365.565 5.411 40 0 biogenic,in-vitro FKABRO C[C@H]([NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000094986217 570450792 /nfs/dbraw/zinc/45/07/92/570450792.db2.gz OHYNAAXWPNIVOJ-RYUDHWBXSA-N 1 0 361.329 6.136 40 0 FKABRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000094986218 209018733 /nfs/dbraw/zinc/01/87/33/209018733.db2.gz OHYNAAXWPNIVOJ-NWDGAFQWSA-N 1 0 361.329 6.136 40 0 FKABRO C[C@@H]([NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000094986219 570450811 /nfs/dbraw/zinc/45/08/11/570450811.db2.gz OHYNAAXWPNIVOJ-VXGBXAGGSA-N 1 0 361.329 6.136 40 0 FKABRO C[C@]12C[C@@H](c3ccccc3)[N@H+](Cc3ccccc3)[C@H]1CCCCC2(F)F ZINC000095951588 570472238 /nfs/dbraw/zinc/47/22/38/570472238.db2.gz QLHHPUDOSJNERU-FKBYEOEOSA-N 1 0 355.472 6.218 40 0 FKABRO C[N@@H+]1CCCC[C@@H](n2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)C1 ZINC000096032822 571334187 /nfs/dbraw/zinc/33/41/87/571334187.db2.gz VNSNHIFBQMRMRE-MRXNPFEDSA-N 1 0 352.522 5.163 40 0 in-vitro FKABRO C[N@@H+]1CCCC[C@H](n2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)C1 ZINC000096032824 571334158 /nfs/dbraw/zinc/33/41/58/571334158.db2.gz VNSNHIFBQMRMRE-INIZCTEOSA-N 1 0 352.522 5.163 40 0 in-vitro FKABRO COc1ccc(C[NH+]2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)cc1 ZINC000096052556 222003632 /nfs/dbraw/zinc/00/36/32/222003632.db2.gz WPIIKMPFRPHYRP-UHFFFAOYSA-N 1 0 373.496 5.435 40 0 FKABRO Cc1ccc(C[NH+]2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)o1 ZINC000096100174 222023077 /nfs/dbraw/zinc/02/30/77/222023077.db2.gz GDRKFHFZOTZESB-UHFFFAOYSA-N 1 0 358.485 5.130 40 0 FKABRO Cc1ccc(C[NH+]2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)s1 ZINC000096100175 570475619 /nfs/dbraw/zinc/47/56/19/570475619.db2.gz PIHHMOGZHBIOAZ-UHFFFAOYSA-N 1 0 374.553 5.599 40 0 FKABRO Fc1ccc(C[NH+]2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)cc1 ZINC000096100176 209111388 /nfs/dbraw/zinc/11/13/88/209111388.db2.gz DKZXKWJKCPKJMQ-UHFFFAOYSA-N 1 0 372.487 5.368 40 0 FKABRO CCC[NH+]1CCC(c2cc3c(ncn3C(C)C)c(-c3ccccc3)n2)CC1 ZINC000096267174 209147783 /nfs/dbraw/zinc/14/77/83/209147783.db2.gz SCBLJXGJENEPCK-UHFFFAOYSA-N 1 0 362.521 5.269 40 0 FKABRO CCCCCOc1ccc(N[N+](=O)c2ccc(OCCCCC)cc2)cc1 ZINC000098045377 571104611 /nfs/dbraw/zinc/10/46/11/571104611.db2.gz WLSBAAWYWASDJZ-UHFFFAOYSA-N 1 0 371.501 6.262 40 0 FKABRO CCn1c2cc(Cl)c(Cl)cc2[n+](CC)c1C=CNc1ccccc1 ZINC000100327589 222241906 /nfs/dbraw/zinc/24/19/06/222241906.db2.gz CSJUPLAKKSKSQQ-UHFFFAOYSA-O 1 0 361.296 5.358 40 0 FKABRO C[C@@H]([NH2+]CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000100744608 570507603 /nfs/dbraw/zinc/50/76/03/570507603.db2.gz GUYRJBUAYYRZRL-WTIAFYNJSA-N 1 0 351.534 5.716 40 0 FKABRO C[C@@H]([NH2+]CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000100744610 570507623 /nfs/dbraw/zinc/50/76/23/570507623.db2.gz GUYRJBUAYYRZRL-OIBXWCBGSA-N 1 0 351.534 5.716 40 0 FKABRO C[C@@H]([NH2+]CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000100745528 222252221 /nfs/dbraw/zinc/25/22/21/222252221.db2.gz RWXOIELWFZDPDK-HUVFLSCGSA-N 1 0 365.561 5.791 40 0 FKABRO C[C@@H]([NH2+]CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000100745532 222252239 /nfs/dbraw/zinc/25/22/39/222252239.db2.gz RWXOIELWFZDPDK-QDSKXPNFSA-N 1 0 365.561 5.791 40 0 FKABRO c1ccc(C[n+]2cccc([C@@H]3O[C@H]4CCCC[C@@H]4C4=CCCC[C@@H]43)c2)cc1 ZINC000101105818 222261848 /nfs/dbraw/zinc/26/18/48/222261848.db2.gz VGZDMJBYELSMKA-ROHNOIKCSA-N 1 0 360.521 5.379 40 0 FKABRO c1ccc(C[n+]2cccc([C@H]3O[C@H]4CCCC[C@@H]4C4=CCCC[C@H]43)c2)cc1 ZINC000101105821 222261920 /nfs/dbraw/zinc/26/19/20/222261920.db2.gz VGZDMJBYELSMKA-ZKGSSEMHSA-N 1 0 360.521 5.379 40 0 FKABRO c1ccc(C[n+]2cccc([C@H]3O[C@H]4CCCC[C@@H]4C4=CCCC[C@@H]43)c2)cc1 ZINC000101105823 209222231 /nfs/dbraw/zinc/22/22/31/209222231.db2.gz VGZDMJBYELSMKA-WSOYEBOPSA-N 1 0 360.521 5.379 40 0 FKABRO CC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101637121 222278707 /nfs/dbraw/zinc/27/87/07/222278707.db2.gz KIXGFZRPUASEFM-CQJMVLFOSA-N 1 0 371.524 5.462 40 0 FKABRO CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101637124 222279436 /nfs/dbraw/zinc/27/94/36/222279436.db2.gz KIXGFZRPUASEFM-ZJSPYRCASA-N 1 0 371.524 5.462 40 0 FKABRO CC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101637127 222279292 /nfs/dbraw/zinc/27/92/92/222279292.db2.gz KIXGFZRPUASEFM-SSUZURRFSA-N 1 0 371.524 5.462 40 0 FKABRO CCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC ZINC000101652082 570512795 /nfs/dbraw/zinc/51/27/95/570512795.db2.gz UCLGIKKXOIONJU-NHKCCNDQSA-N 1 0 351.534 5.656 40 0 FKABRO CCC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC ZINC000101652084 222279619 /nfs/dbraw/zinc/27/96/19/222279619.db2.gz UCLGIKKXOIONJU-RABNCREUSA-N 1 0 351.534 5.656 40 0 FKABRO CCC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC ZINC000101652086 222279163 /nfs/dbraw/zinc/27/91/63/222279163.db2.gz UCLGIKKXOIONJU-PKBMHHEFSA-N 1 0 351.534 5.656 40 0 FKABRO CCCC1=C(C(C)C)[NH2+]C(C(C)C)=C([C@@H](C)O)[C@@H]1c1ccc(F)cc1O ZINC000101774066 570871942 /nfs/dbraw/zinc/87/19/42/570871942.db2.gz OINVVPOIGFSNHM-JLTOFOAXSA-N 1 0 361.501 5.219 40 0 FKABRO Cc1ccc([C@@]2(CC[NH2+][C@H](C)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 ZINC000101926627 570513679 /nfs/dbraw/zinc/51/36/79/570513679.db2.gz CGUCFXKLVWDOLG-LSWJPFSZSA-N 1 0 371.590 5.870 40 0 FKABRO Cc1ccc([C@@]2(CC[NH2+][C@H](C)c3cccs3)CCO[C@H](C(C)C)C2)cc1 ZINC000101926630 222286684 /nfs/dbraw/zinc/28/66/84/222286684.db2.gz CGUCFXKLVWDOLG-NWSQWKLXSA-N 1 0 371.590 5.870 40 0 FKABRO c1ccc([C@H]2C3=C(c4ccccc4CC3)[N@H+]3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000102692924 222304831 /nfs/dbraw/zinc/30/48/31/222304831.db2.gz CKZZOIDHUAISOG-GIFXNVAJSA-N 1 0 357.497 5.360 40 0 FKABRO C[C@H]1C(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000102695832 570768313 /nfs/dbraw/zinc/76/83/13/570768313.db2.gz YOCSCRSTBWZYLM-BZSIODOPSA-N 1 0 350.289 5.012 40 0 FKABRO CC[C@@]1(C)C[C@](CC[NH2+][C@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 ZINC000102760620 222307556 /nfs/dbraw/zinc/30/75/56/222307556.db2.gz FRRPVDBEADNXFW-JRGCBEDISA-N 1 0 351.962 6.002 40 0 FKABRO CC[C@@]1(C)C[C@@](CC[NH2+][C@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 ZINC000102760626 209240710 /nfs/dbraw/zinc/24/07/10/209240710.db2.gz FRRPVDBEADNXFW-QMMLZNLJSA-N 1 0 351.962 6.002 40 0 FKABRO CC(C)CC[C@@H](CC[NH2+][C@H](C)c1cccs1)[C@H]1CCOC(C)(C)C1 ZINC000102779511 570516993 /nfs/dbraw/zinc/51/69/93/570516993.db2.gz LUPYCHXACSWWHP-QYZOEREBSA-N 1 0 351.600 6.046 40 0 FKABRO Cc1ccc([C@@]2(CC[NH2+][C@H](C)c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000102809899 222309469 /nfs/dbraw/zinc/30/94/69/222309469.db2.gz NKGXTFCIHUTLTA-SDUSCBPUSA-N 1 0 365.561 5.809 40 0 FKABRO Cc1ccc([C@@]2(CC[NH2+][C@H](C)c3ccccc3)CCO[C@H](C(C)C)C2)cc1 ZINC000102809901 222309516 /nfs/dbraw/zinc/30/95/16/222309516.db2.gz NKGXTFCIHUTLTA-ZODMCCGTSA-N 1 0 365.561 5.809 40 0 FKABRO Clc1ccccc1/C=C1/c2ccc(Br)cc2-c2cccc[n+]21 ZINC000104117284 222350805 /nfs/dbraw/zinc/35/08/05/222350805.db2.gz ZMAHDSWEZLPKAV-ODLFYWEKSA-N 1 0 369.669 5.417 40 0 FKABRO C[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000106013715 206241936 /nfs/dbraw/zinc/24/19/36/206241936.db2.gz NDHOPVCXDQDCPC-KMAVCZJNSA-N 1 0 357.497 5.072 40 0 FKABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371095 571318862 /nfs/dbraw/zinc/31/88/62/571318862.db2.gz DVFGELBPMWYQMT-SJLPKXTDSA-N 1 0 361.530 5.169 40 0 FKABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371100 571318902 /nfs/dbraw/zinc/31/89/02/571318902.db2.gz DVFGELBPMWYQMT-AEFFLSMTSA-N 1 0 361.530 5.169 40 0 FKABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC ZINC000108371260 571318876 /nfs/dbraw/zinc/31/88/76/571318876.db2.gz ACNVLENRHNVGCA-SJLPKXTDSA-N 1 0 361.530 5.169 40 0 FKABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC ZINC000108371265 571318879 /nfs/dbraw/zinc/31/88/79/571318879.db2.gz ACNVLENRHNVGCA-AEFFLSMTSA-N 1 0 361.530 5.169 40 0 FKABRO CCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000113934884 570826110 /nfs/dbraw/zinc/82/61/10/570826110.db2.gz VBTDMEBCFXYILA-UHFFFAOYSA-N 1 0 370.496 5.060 40 0 FKABRO C[C@@H]([NH2+]C/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000115880045 571307165 /nfs/dbraw/zinc/30/71/65/571307165.db2.gz WFYGIZJPNJFYOP-IQIBNGDESA-N 1 0 355.403 6.223 40 0 FKABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(N)=[NH2+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917656 209348128 /nfs/dbraw/zinc/34/81/28/209348128.db2.gz BVOSELRYSDLZIT-KAFUMNDRSA-N 1 0 374.594 5.150 40 0 FKABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC(N)=[NH2+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917657 570560011 /nfs/dbraw/zinc/56/00/11/570560011.db2.gz BVOSELRYSDLZIT-NCEGCGGISA-N 1 0 374.594 5.150 40 0 FKABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]([NH+]5CCCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118925796 209348508 /nfs/dbraw/zinc/34/85/08/209348508.db2.gz CKLNKKSOWCISAB-OPKHLUCYSA-N 1 0 359.598 5.245 40 0 FKABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]([NH+]5CCCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118925801 206103241 /nfs/dbraw/zinc/10/32/41/206103241.db2.gz CKLNKKSOWCISAB-XBUBOJNLSA-N 1 0 359.598 5.245 40 0 FKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H]([NH+]5CCCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118925809 206104417 /nfs/dbraw/zinc/10/44/17/206104417.db2.gz CKLNKKSOWCISAB-HIOAPMMISA-N 1 0 359.598 5.245 40 0 FKABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC([NH+]5CCCCC5)=CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118935506 570560899 /nfs/dbraw/zinc/56/08/99/570560899.db2.gz RCEDLDDSTBBSOK-MIFDARQQSA-N 1 0 357.582 5.370 40 0 FKABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC([NH+]5CCCCC5)=CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118935507 570560837 /nfs/dbraw/zinc/56/08/37/570560837.db2.gz RCEDLDDSTBBSOK-FUSUFLOUSA-N 1 0 357.582 5.370 40 0 FKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC([NH+]5CCCCC5)=CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118935508 570560802 /nfs/dbraw/zinc/56/08/02/570560802.db2.gz RCEDLDDSTBBSOK-YEWUNFOKSA-N 1 0 357.582 5.370 40 0 FKABRO C[C@@H](CC(=O)OC(C)(C)C)[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000137083304 571307145 /nfs/dbraw/zinc/30/71/45/571307145.db2.gz OAZSEAYAIFYYFG-OALUTQOASA-N 1 0 353.506 5.370 40 0 FKABRO Cc1ccc(-n2cc(CNc3ccc(C[NH+]4CCC(C)CC4)cc3)cn2)cc1 ZINC000141526154 571307281 /nfs/dbraw/zinc/30/72/81/571307281.db2.gz PWJARQVWKNHSSE-UHFFFAOYSA-N 1 0 374.532 5.025 40 0 FKABRO C[Si](C)(C)N(S[NH+]([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C ZINC000169808210 209538841 /nfs/dbraw/zinc/53/88/41/209538841.db2.gz HJYSTONGOLZKOR-UHFFFAOYSA-N 1 0 352.845 5.493 40 0 FKABRO CCOC(=O)c1cccc(C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000199818614 571278191 /nfs/dbraw/zinc/27/81/91/571278191.db2.gz IBWJZYZXFQFCRU-UHFFFAOYSA-N 1 0 359.469 5.066 40 0 FKABRO Brc1ccc(C[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC000199826290 571278229 /nfs/dbraw/zinc/27/82/29/571278229.db2.gz JOUFHFASUMIPSW-UHFFFAOYSA-N 1 0 367.290 5.047 40 0 FKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000215943594 206351903 /nfs/dbraw/zinc/35/19/03/206351903.db2.gz GWEMPGCEXUVECL-UYAOXDASSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000216121197 568106824 /nfs/dbraw/zinc/10/68/24/568106824.db2.gz UCAMTVWENPZTGJ-UYAOXDASSA-N 1 0 364.533 5.026 40 0 FKABRO C[N@H+](Cc1ccc2oc(-c3ccccc3Cl)nc2c1)C1CCCCC1 ZINC000216798777 210156005 /nfs/dbraw/zinc/15/60/05/210156005.db2.gz POBYMFQKRULGPQ-UHFFFAOYSA-N 1 0 354.881 5.913 40 0 FKABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000216799056 571141553 /nfs/dbraw/zinc/14/15/53/571141553.db2.gz ROQQJDARBRCJCX-HUUCEWRRSA-N 1 0 354.881 5.911 40 0 FKABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000216799099 210156756 /nfs/dbraw/zinc/15/67/56/210156756.db2.gz ROQQJDARBRCJCX-GASCZTMLSA-N 1 0 354.881 5.911 40 0 FKABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000216799143 571141577 /nfs/dbraw/zinc/14/15/77/571141577.db2.gz ROQQJDARBRCJCX-GJZGRUSLSA-N 1 0 354.881 5.911 40 0 FKABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000216799304 222667997 /nfs/dbraw/zinc/66/79/97/222667997.db2.gz AETRIGPAXQQEJN-HUUCEWRRSA-N 1 0 354.881 5.626 40 0 FKABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000216799345 571141648 /nfs/dbraw/zinc/14/16/48/571141648.db2.gz AETRIGPAXQQEJN-GASCZTMLSA-N 1 0 354.881 5.626 40 0 FKABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000216799384 571141564 /nfs/dbraw/zinc/14/15/64/571141564.db2.gz AETRIGPAXQQEJN-GJZGRUSLSA-N 1 0 354.881 5.626 40 0 FKABRO Brc1ccccc1-c1nc2cc(C[NH+]3CCCCC3)ccc2o1 ZINC000216827044 571147919 /nfs/dbraw/zinc/14/79/19/571147919.db2.gz PFTBPKBJUXBRAH-UHFFFAOYSA-N 1 0 371.278 5.243 40 0 FKABRO Brc1cccc(-c2nc3cc(C[NH+]4CCCCC4)ccc3o2)c1 ZINC000216840689 571149129 /nfs/dbraw/zinc/14/91/29/571149129.db2.gz WBVXZANTXHYUBH-UHFFFAOYSA-N 1 0 371.278 5.243 40 0 FKABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000216841047 206749759 /nfs/dbraw/zinc/74/97/59/206749759.db2.gz UIFJBXWTFLRWMI-HUUCEWRRSA-N 1 0 354.881 5.911 40 0 FKABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000216841080 206361623 /nfs/dbraw/zinc/36/16/23/206361623.db2.gz UIFJBXWTFLRWMI-GASCZTMLSA-N 1 0 354.881 5.911 40 0 FKABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000216841111 571149262 /nfs/dbraw/zinc/14/92/62/571149262.db2.gz UIFJBXWTFLRWMI-GJZGRUSLSA-N 1 0 354.881 5.911 40 0 FKABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000216841412 568145757 /nfs/dbraw/zinc/14/57/57/568145757.db2.gz VAXFQKMUDFCHEL-HUUCEWRRSA-N 1 0 354.881 5.626 40 0 FKABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000216841446 210160585 /nfs/dbraw/zinc/16/05/85/210160585.db2.gz VAXFQKMUDFCHEL-GASCZTMLSA-N 1 0 354.881 5.626 40 0 FKABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000216841484 571149235 /nfs/dbraw/zinc/14/92/35/571149235.db2.gz VAXFQKMUDFCHEL-GJZGRUSLSA-N 1 0 354.881 5.626 40 0 FKABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000219238877 568278098 /nfs/dbraw/zinc/27/80/98/568278098.db2.gz ZKNQJRWTDLSMKQ-YLJYHZDGSA-N 1 0 364.533 5.026 40 0 FKABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000219238945 568278269 /nfs/dbraw/zinc/27/82/69/568278269.db2.gz ZKNQJRWTDLSMKQ-XLIONFOSSA-N 1 0 364.533 5.026 40 0 FKABRO C[NH2+]CCCNc1cc(C)nc2c(Oc3ccccc3)ccc(Cl)c12 ZINC000222692830 568554504 /nfs/dbraw/zinc/55/45/04/568554504.db2.gz PXIGVCVGGXBMEO-UHFFFAOYSA-N 1 0 355.869 5.010 40 0 FKABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)CC1 ZINC000222791861 568563333 /nfs/dbraw/zinc/56/33/33/568563333.db2.gz YFLRSAQDRJRFEK-UHFFFAOYSA-N 1 0 372.512 5.002 40 0 FKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)C1 ZINC000222791956 568563308 /nfs/dbraw/zinc/56/33/08/568563308.db2.gz CLCOTEVULRXDQX-LJQANCHMSA-N 1 0 372.512 5.002 40 0 FKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)C1 ZINC000222792013 568563284 /nfs/dbraw/zinc/56/32/84/568563284.db2.gz CLCOTEVULRXDQX-IBGZPJMESA-N 1 0 372.512 5.002 40 0 FKABRO O=C(NCc1ccc2ccccc2c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000222804158 568565102 /nfs/dbraw/zinc/56/51/02/568565102.db2.gz OFCQXPUEYAKBLO-UHFFFAOYSA-N 1 0 372.512 5.146 40 0 FKABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)CC1 ZINC000222868441 568574127 /nfs/dbraw/zinc/57/41/27/568574127.db2.gz XOZXDWPQOROJQU-UHFFFAOYSA-N 1 0 372.512 5.002 40 0 FKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)C1 ZINC000222868524 568574083 /nfs/dbraw/zinc/57/40/83/568574083.db2.gz GKCYFBJWPCXFBR-LJQANCHMSA-N 1 0 372.512 5.002 40 0 FKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)C1 ZINC000222868600 568574107 /nfs/dbraw/zinc/57/41/07/568574107.db2.gz GKCYFBJWPCXFBR-IBGZPJMESA-N 1 0 372.512 5.002 40 0 FKABRO O=C(NCc1cccc2ccccc21)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000222880216 209740191 /nfs/dbraw/zinc/74/01/91/209740191.db2.gz DYEQQRCRGKWXEK-UHFFFAOYSA-N 1 0 372.512 5.146 40 0 FKABRO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000223437806 568655098 /nfs/dbraw/zinc/65/50/98/568655098.db2.gz ZCESURGGJROXQC-HXUWFJFHSA-N 1 0 364.533 5.089 40 0 FKABRO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000223437856 568655131 /nfs/dbraw/zinc/65/51/31/568655131.db2.gz ZCESURGGJROXQC-FQEVSTJZSA-N 1 0 364.533 5.089 40 0 FKABRO CCC[N+]1=C(/C=C/c2ccccc2)C(C)(C)c2cc(Br)ccc21 ZINC000223813119 568735837 /nfs/dbraw/zinc/73/58/37/568735837.db2.gz DRTMQMJDMJKSEU-JLHYYAGUSA-N 1 0 369.326 5.949 40 0 FKABRO O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224094532 570976983 /nfs/dbraw/zinc/97/69/83/570976983.db2.gz PXTWRFBWWZBPDM-UHFFFAOYSA-N 1 0 370.452 5.434 40 0 FKABRO O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224096351 570977074 /nfs/dbraw/zinc/97/70/74/570977074.db2.gz PPJGPFPLZVFBRT-UHFFFAOYSA-N 1 0 370.496 5.177 40 0 FKABRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000224976175 571007829 /nfs/dbraw/zinc/00/78/29/571007829.db2.gz JRUUROFPFPFOMM-UHFFFAOYSA-N 1 0 372.512 5.377 40 0 FKABRO CCc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000225149162 571018300 /nfs/dbraw/zinc/01/83/00/571018300.db2.gz IVBGNTHYQOSTMV-LJQANCHMSA-N 1 0 364.533 5.116 40 0 FKABRO CCc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000225149198 571018317 /nfs/dbraw/zinc/01/83/17/571018317.db2.gz IVBGNTHYQOSTMV-IBGZPJMESA-N 1 0 364.533 5.116 40 0 FKABRO Fc1ccc(C[n+]2ccc(-c3nc4ccccc4s3)cc2)c(Cl)c1 ZINC000226307786 570610883 /nfs/dbraw/zinc/61/08/83/570610883.db2.gz XWGJYUDNUAJOKZ-UHFFFAOYSA-N 1 0 355.845 5.092 40 0 FKABRO Fc1ccc(C[n+]2cccc(-c3nc4ccccc4s3)c2)c(Cl)c1 ZINC000226308513 570610906 /nfs/dbraw/zinc/61/09/06/570610906.db2.gz HEEDAFOFCMPAGC-UHFFFAOYSA-N 1 0 355.845 5.092 40 0 FKABRO Cc1cc2nc(-c3ccc[n+](Cc4ccc(F)cc4Cl)c3)oc2cc1C ZINC000226308541 570610910 /nfs/dbraw/zinc/61/09/10/570610910.db2.gz QXIMKUHOFNMNHP-UHFFFAOYSA-N 1 0 367.831 5.240 40 0 FKABRO Cc1cc2nc(-c3ccc[n+](Cc4ccc(F)cc4Cl)c3)oc2c(C)c1 ZINC000226308549 206120210 /nfs/dbraw/zinc/12/02/10/206120210.db2.gz YPGOEIXDBJIICL-UHFFFAOYSA-N 1 0 367.831 5.240 40 0 FKABRO Fc1ccc(C[n+]2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(Cl)c1 ZINC000226308563 206120290 /nfs/dbraw/zinc/12/02/90/206120290.db2.gz NSQRCMDGCWEFJC-UHFFFAOYSA-N 1 0 374.222 5.277 40 0 FKABRO CCc1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 ZINC000226308578 570610962 /nfs/dbraw/zinc/61/09/62/570610962.db2.gz AVDSHFFCMDQGRG-UHFFFAOYSA-N 1 0 367.831 5.186 40 0 FKABRO CCC[n+]1cc(Br)cc(-c2nc3c(cc(C)cc3C)s2)c1 ZINC000226773375 206123257 /nfs/dbraw/zinc/12/32/57/206123257.db2.gz BXHXRVVECNFVGW-UHFFFAOYSA-N 1 0 362.316 5.040 40 0 FKABRO CCC[n+]1cc(Br)cc(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000226774821 206123993 /nfs/dbraw/zinc/12/39/93/206123993.db2.gz OXJIJPSZNDIPBW-UHFFFAOYSA-N 1 0 360.275 5.078 40 0 FKABRO CCC[n+]1cc(Br)cc(-c2nc3ccc(Cl)cc3s2)c1 ZINC000226776802 209369061 /nfs/dbraw/zinc/36/90/61/209369061.db2.gz VGDLZWUSLTTYBP-UHFFFAOYSA-N 1 0 368.707 5.077 40 0 FKABRO CCC[n+]1cc(Br)cc(-c2nc3c(cccc3Cl)s2)c1 ZINC000226776867 570611262 /nfs/dbraw/zinc/61/12/62/570611262.db2.gz SHRJVDQEPXAFPG-UHFFFAOYSA-N 1 0 368.707 5.077 40 0 FKABRO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227551417 571278624 /nfs/dbraw/zinc/27/86/24/571278624.db2.gz SQVXINVALFBTPV-QZMQVMSPSA-N 1 0 360.501 5.378 40 0 FKABRO CC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000229928587 571279287 /nfs/dbraw/zinc/27/92/87/571279287.db2.gz AOUWTGIEFIEWFQ-KEVKATSASA-N 1 0 371.524 5.719 40 0 FKABRO CC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000245333765 523622782 /nfs/dbraw/zinc/62/27/82/523622782.db2.gz AOUWTGIEFIEWFQ-XPGKHFPBSA-N 1 0 371.524 5.719 40 0 FKABRO CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1C ZINC000245380467 520125336 /nfs/dbraw/zinc/12/53/36/520125336.db2.gz ZOERYLZCLDLETJ-DTVDEITCSA-N 1 0 365.561 6.046 40 0 FKABRO CCCCCCC1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1C ZINC000245380468 519961880 /nfs/dbraw/zinc/96/18/80/519961880.db2.gz ZOERYLZCLDLETJ-FAYOUJPWSA-N 1 0 365.561 6.046 40 0 FKABRO CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000245380469 520125277 /nfs/dbraw/zinc/12/52/77/520125277.db2.gz ZOERYLZCLDLETJ-IFMRQQRSSA-N 1 0 365.561 6.046 40 0 FKABRO CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1C ZINC000245380470 520125613 /nfs/dbraw/zinc/12/56/13/520125613.db2.gz ZOERYLZCLDLETJ-YFUZDLCXSA-N 1 0 365.561 6.046 40 0 FKABRO Clc1ccc(-c2ccc(C(N3CCCCC3)N3CCCCC3)o2)cc1 ZINC000252482576 571319623 /nfs/dbraw/zinc/31/96/23/571319623.db2.gz DJNSPNXJQNUBRK-UHFFFAOYSA-N 1 0 358.913 5.570 40 0 FKABRO CCCC[C@@H](CC)CN1CN2C[N@H+](C[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC000255988500 571318162 /nfs/dbraw/zinc/31/81/62/571318162.db2.gz MSJBLPVXRJMJSY-ZBYYUNFXSA-N 1 0 351.623 5.026 40 0 in-man FKABRO Cc1noc2nc([C@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)cc(C(F)F)c12 ZINC000257239577 571318329 /nfs/dbraw/zinc/31/83/29/571318329.db2.gz HPYMVKBEFDZIKO-CABCVRRESA-N 1 0 361.436 5.005 40 0 FKABRO Cc1noc2nc([C@@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)cc(C(F)F)c12 ZINC000257239578 571318339 /nfs/dbraw/zinc/31/83/39/571318339.db2.gz HPYMVKBEFDZIKO-HUUCEWRRSA-N 1 0 361.436 5.005 40 0 FKABRO Cc1nc(Nc2cccc(C3CC[NH+](C4CCCC4)CC3)n2)sc1C ZINC000257241251 571318314 /nfs/dbraw/zinc/31/83/14/571318314.db2.gz HXIFYCVMEUARBH-UHFFFAOYSA-N 1 0 356.539 5.021 40 0 FKABRO CC(C)CCC[C@@]1(C)Oc2ccccc2[C@H]2OCC3(CC[NH2+]CC3)C[C@@H]21 ZINC000257243959 527705613 /nfs/dbraw/zinc/70/56/13/527705613.db2.gz IJHKZVDERCNLOB-KSEOMHKRSA-N 1 0 357.538 5.111 40 0 FKABRO CC(C)CCC[C@]1(C)Oc2ccccc2[C@H]2OCC3(CC[NH2+]CC3)C[C@@H]21 ZINC000257243960 209974141 /nfs/dbraw/zinc/97/41/41/209974141.db2.gz IJHKZVDERCNLOB-NNWRFLSQSA-N 1 0 357.538 5.111 40 0 FKABRO Fc1ccc(Cc2ccc([C@@H]3CCC[N@@H+]3CCc3ccccc3)nc2)cc1 ZINC000257266990 571318303 /nfs/dbraw/zinc/31/83/03/571318303.db2.gz MFKZNABHCMITSZ-DEOSSOPVSA-N 1 0 360.476 5.191 40 0 FKABRO Fc1ccc(Cc2ccc([C@H]3CCC[N@@H+]3CCc3ccccc3)nc2)cc1 ZINC000257266991 223044724 /nfs/dbraw/zinc/04/47/24/223044724.db2.gz MFKZNABHCMITSZ-XMMPIXPASA-N 1 0 360.476 5.191 40 0 FKABRO COc1ccc(CNc2cccc([C@H]3CCC[N@@H+]3C3CCCCC3)n2)cc1 ZINC000257267755 223044047 /nfs/dbraw/zinc/04/40/47/223044047.db2.gz MIPXGYSJLTVNAL-JOCHJYFZSA-N 1 0 365.521 5.172 40 0 FKABRO COc1ccc(CNc2cccc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cc1 ZINC000257267756 571318312 /nfs/dbraw/zinc/31/83/12/571318312.db2.gz MIPXGYSJLTVNAL-QFIPXVFZSA-N 1 0 365.521 5.172 40 0 FKABRO Cc1ccccc1Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)cn1 ZINC000257275720 223046458 /nfs/dbraw/zinc/04/64/58/223046458.db2.gz NQQHIUMYXLKYRL-DEOSSOPVSA-N 1 0 357.501 5.103 40 0 FKABRO Fc1cccc(Cc2ccc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)nc2)c1 ZINC000257292827 571318318 /nfs/dbraw/zinc/31/83/18/571318318.db2.gz QNCMKOPQBNHFCM-IBGZPJMESA-N 1 0 364.508 5.347 40 0 FKABRO Fc1cccc(Cc2ccc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)nc2)c1 ZINC000257292828 571318320 /nfs/dbraw/zinc/31/83/20/571318320.db2.gz QNCMKOPQBNHFCM-LJQANCHMSA-N 1 0 364.508 5.347 40 0 FKABRO c1ccc(CCC[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 ZINC000257310956 534485464 /nfs/dbraw/zinc/48/54/64/534485464.db2.gz UHIHBRNINWYUGD-UHFFFAOYSA-N 1 0 372.516 5.032 40 0 FKABRO Fc1cccc(Cc2ccc(C3CC[NH+](CCc4ccccc4)CC3)nc2)c1 ZINC000257323577 206623737 /nfs/dbraw/zinc/62/37/37/206623737.db2.gz WKYNXYFBPSHQIU-UHFFFAOYSA-N 1 0 374.503 5.234 40 0 FKABRO CCCCCn1cc(-c2nc(C[NH+](CC)CC)cs2)c2ccccc21 ZINC000299817250 210041912 /nfs/dbraw/zinc/04/19/12/210041912.db2.gz PCNLLVFKBKMRDB-UHFFFAOYSA-N 1 0 355.551 5.797 40 0 in-vitro FKABRO Clc1ccc2c(c1)NCC21C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000306145897 223114581 /nfs/dbraw/zinc/11/45/81/223114581.db2.gz UZMSQPPBYNNZKE-UHFFFAOYSA-N 1 0 360.888 5.109 40 0 FKABRO CC(C)c1nc(N2Cc3ccccc3C[C@H]2C)cc(NCc2ccccc2)[nH+]1 ZINC000328957183 132371852 /nfs/dbraw/zinc/37/18/52/132371852.db2.gz AJODVGNJQCWAQQ-GOSISDBHSA-N 1 0 372.516 5.163 40 0 FKABRO CC(C)c1nc(N2Cc3ccccc3C[C@@H]2C)cc(NCc2ccccc2)[nH+]1 ZINC000328957194 132371863 /nfs/dbraw/zinc/37/18/63/132371863.db2.gz AJODVGNJQCWAQQ-SFHVURJKSA-N 1 0 372.516 5.163 40 0 FKABRO CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C(C)C)[nH+]1 ZINC000328958406 132371917 /nfs/dbraw/zinc/37/19/17/132371917.db2.gz ANLRDVGGZVPUBB-INIZCTEOSA-N 1 0 352.526 5.152 40 0 FKABRO CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C(C)C)[nH+]1 ZINC000328958407 132371911 /nfs/dbraw/zinc/37/19/11/132371911.db2.gz ANLRDVGGZVPUBB-MRXNPFEDSA-N 1 0 352.526 5.152 40 0 FKABRO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(NC2CCCC2)[nH+]1 ZINC000328972107 132372078 /nfs/dbraw/zinc/37/20/78/132372078.db2.gz DSZSKNOYJLUKLU-UHFFFAOYSA-N 1 0 364.537 5.252 40 0 FKABRO CCc1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CCCCC2)[nH+]1 ZINC000328979171 132372104 /nfs/dbraw/zinc/37/21/04/132372104.db2.gz GDSANMIFTOPCJF-UHFFFAOYSA-N 1 0 364.537 5.125 40 0 FKABRO CC[C@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328983200 132372000 /nfs/dbraw/zinc/37/20/00/132372000.db2.gz HEVPAXVYOFXNIW-AWEZNQCLSA-N 1 0 358.917 5.027 40 0 FKABRO CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328983204 132372033 /nfs/dbraw/zinc/37/20/33/132372033.db2.gz HEVPAXVYOFXNIW-CQSZACIVSA-N 1 0 358.917 5.027 40 0 FKABRO CC(C)c1nc(N2Cc3ccccc3C[C@@H]2C)cc(NC2CCCCC2)[nH+]1 ZINC000329012532 132372477 /nfs/dbraw/zinc/37/24/77/132372477.db2.gz MJVLQVGNSXOGTH-KRWDZBQOSA-N 1 0 364.537 5.296 40 0 FKABRO CC(C)c1nc(N2Cc3ccccc3C[C@H]2C)cc(NC2CCCCC2)[nH+]1 ZINC000329012533 132372516 /nfs/dbraw/zinc/37/25/16/132372516.db2.gz MJVLQVGNSXOGTH-QGZVFWFLSA-N 1 0 364.537 5.296 40 0 FKABRO CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000329018866 132372598 /nfs/dbraw/zinc/37/25/98/132372598.db2.gz NTDYSJLMNTXNEC-INIZCTEOSA-N 1 0 352.526 5.108 40 0 FKABRO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000329018867 132372480 /nfs/dbraw/zinc/37/24/80/132372480.db2.gz NTDYSJLMNTXNEC-MRXNPFEDSA-N 1 0 352.526 5.108 40 0 FKABRO CC(C)c1nc(N2Cc3ccccc3CC2(C)C)cc(NC2CCCC2)[nH+]1 ZINC000329019797 132372620 /nfs/dbraw/zinc/37/26/20/132372620.db2.gz NXWOYTGOIVRLDR-UHFFFAOYSA-N 1 0 364.537 5.296 40 0 FKABRO CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CCCCC2)[nH+]1 ZINC000329046956 132373110 /nfs/dbraw/zinc/37/31/10/132373110.db2.gz UDCVOHJYJGHKOR-UHFFFAOYSA-N 1 0 364.537 5.081 40 0 FKABRO CC(C)c1nc(N2CCc3cc(Cl)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329070232 132373239 /nfs/dbraw/zinc/37/32/39/132373239.db2.gz ZFEBFFXTEHPIBY-UHFFFAOYSA-N 1 0 370.928 5.171 40 0 FKABRO CCCC(C(=O)CCC[NH+](CC)CC)(c1ccccc1)c1ccccc1 ZINC000390822391 571108919 /nfs/dbraw/zinc/10/89/19/571108919.db2.gz SARZTFOAOFUQGN-UHFFFAOYSA-N 1 0 351.534 5.464 40 0 FKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1cccc2ccccc21 ZINC000408582671 570951323 /nfs/dbraw/zinc/95/13/23/570951323.db2.gz OSMZCUFVPKQSCM-UHFFFAOYSA-N 1 0 364.533 5.746 40 0 FKABRO Fc1ccc(Cc2ccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)nc2)cc1 ZINC000585176605 571157091 /nfs/dbraw/zinc/15/70/91/571157091.db2.gz CBAMNQNDQAZHOH-HSZRJFAPSA-N 1 0 374.503 5.234 40 0 FKABRO Fc1ccc(Cc2ccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)nc2)cc1 ZINC000585176606 571157112 /nfs/dbraw/zinc/15/71/12/571157112.db2.gz CBAMNQNDQAZHOH-QHCPKHFHSA-N 1 0 374.503 5.234 40 0 FKABRO Fc1cccc(Cc2ccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)nc2)c1 ZINC000585176607 571237873 /nfs/dbraw/zinc/23/78/73/571237873.db2.gz QIQVTFGRBAROBW-HSZRJFAPSA-N 1 0 374.503 5.234 40 0 FKABRO Fc1cccc(Cc2ccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)nc2)c1 ZINC000585176608 571157127 /nfs/dbraw/zinc/15/71/27/571157127.db2.gz QIQVTFGRBAROBW-QHCPKHFHSA-N 1 0 374.503 5.234 40 0 FKABRO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+]3CCc3ccccc3)nc2)c1 ZINC000585176610 571157116 /nfs/dbraw/zinc/15/71/16/571157116.db2.gz VPWHOHXDAFUXIT-RUZDIDTESA-N 1 0 372.512 5.061 40 0 FKABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+]3CCc3ccccc3)nc2)c1 ZINC000585176611 571237986 /nfs/dbraw/zinc/23/79/86/571237986.db2.gz VPWHOHXDAFUXIT-VWLOTQADSA-N 1 0 372.512 5.061 40 0 FKABRO Fc1ccc(Cc2ccc(C3CC[NH+](CCc4ccccc4)CC3)nc2)cc1 ZINC000585176613 571157159 /nfs/dbraw/zinc/15/71/59/571157159.db2.gz PCDIKHOQMAXWCU-UHFFFAOYSA-N 1 0 374.503 5.234 40 0 FKABRO Fc1cccc(OCCC[NH+]2CCCCC2)c1Oc1cccc(Cl)c1 ZINC000585266183 571158022 /nfs/dbraw/zinc/15/80/22/571158022.db2.gz GVDPIWHBHWPNPX-UHFFFAOYSA-N 1 0 363.860 5.526 40 0 FKABRO CC(C)[NH+](CCOc1ccc(F)cc1Oc1cccc(Cl)c1)C(C)C ZINC000585266193 571157920 /nfs/dbraw/zinc/15/79/20/571157920.db2.gz HWFSGPRSPXOIEC-UHFFFAOYSA-N 1 0 365.876 5.769 40 0 FKABRO Fc1cccc(OCCC[NH+]2CCCCC2)c1Oc1ccc(Cl)cc1 ZINC000585266210 571157919 /nfs/dbraw/zinc/15/79/19/571157919.db2.gz MOAYLFZBARKOBJ-UHFFFAOYSA-N 1 0 363.860 5.526 40 0 FKABRO CC(C)[NH+](CCOc1cc(F)ccc1Oc1ccc(Cl)cc1)C(C)C ZINC000585266211 571157921 /nfs/dbraw/zinc/15/79/21/571157921.db2.gz MRTMHNXDVNJDNB-UHFFFAOYSA-N 1 0 365.876 5.769 40 0 FKABRO Fc1ccc(OCCC[NH+]2CCCCC2)c(Oc2cccc(Cl)c2)c1 ZINC000585266224 571157972 /nfs/dbraw/zinc/15/79/72/571157972.db2.gz QBQHQINNBIUMPL-UHFFFAOYSA-N 1 0 363.860 5.526 40 0 FKABRO Fc1ccc(Oc2ccc(Cl)cc2)c(OCCC[NH+]2CCCCC2)c1 ZINC000585266229 571157967 /nfs/dbraw/zinc/15/79/67/571157967.db2.gz RCDUMKGTPHKOOK-UHFFFAOYSA-N 1 0 363.860 5.526 40 0 FKABRO CC(C)[NH+](CCOc1cccc(F)c1Oc1cccc(Cl)c1)C(C)C ZINC000585266238 571157985 /nfs/dbraw/zinc/15/79/85/571157985.db2.gz SLPWWUMGXYVQBY-UHFFFAOYSA-N 1 0 365.876 5.769 40 0 FKABRO CC(C)[NH+](CCOc1cccc(F)c1Oc1ccc(Cl)cc1)C(C)C ZINC000585266245 570482582 /nfs/dbraw/zinc/48/25/82/570482582.db2.gz WKJPZWFSSUOCHD-UHFFFAOYSA-N 1 0 365.876 5.769 40 0 FKABRO COC1(COc2ccc(C)cc2C)CC[NH+](C2CCC(C)(C)CC2)CC1 ZINC000585281897 571157931 /nfs/dbraw/zinc/15/79/31/571157931.db2.gz SOQUVAREDNRDTL-UHFFFAOYSA-N 1 0 359.554 5.132 40 0 FKABRO COC1(COc2cccc(Cl)c2)CC[NH+](C2CCC(C)(C)CC2)CC1 ZINC000585281920 571157929 /nfs/dbraw/zinc/15/79/29/571157929.db2.gz UFBJJOVWIQVZOC-UHFFFAOYSA-N 1 0 365.945 5.169 40 0 FKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](C2CCCCC2)CC1 ZINC000585282098 571158005 /nfs/dbraw/zinc/15/80/05/571158005.db2.gz XSNIWDCFXGIRJP-UHFFFAOYSA-N 1 0 372.336 5.186 40 0 FKABRO