smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000000537882 568710813 /nfs/dbraw/zinc/71/08/13/568710813.db2.gz GXESHMAMLJKROZ-XTEPFMGCSA-N 1 0 413.561 5.729 40 0 HKABRO COc1ccc2c(c1)-c1c(O)c(OC)ccc1C[C@@H](CCc1ccccc1)[N@@H+](C)CC2 ZINC000000607716 557019142 /nfs/dbraw/zinc/01/91/42/557019142.db2.gz IORHSKBXWWSQME-JOCHJYFZSA-N 1 0 417.549 5.108 40 0 in-man HKABRO C[C@H]1C[C@H](C)C[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000000643893 559276637 /nfs/dbraw/zinc/27/66/37/559276637.db2.gz CWVBPMKCELIABZ-RLFYNMQTSA-N 1 0 405.369 5.440 40 0 HKABRO COc1ccc(CNc2[nH+]cc(-c3ccc(Cl)c(Cl)c3)n2C)c(OC)c1OC ZINC000000819075 559281333 /nfs/dbraw/zinc/28/13/33/559281333.db2.gz LKNIEFNLXNEYBN-UHFFFAOYSA-N 1 0 422.312 5.032 40 0 HKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000001238284 291296190 /nfs/dbraw/zinc/29/61/90/291296190.db2.gz KWVISVAMQJWJSZ-JCUATARGSA-N 1 0 413.646 5.287 40 0 biogenic,in-man HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000001298314 569048747 /nfs/dbraw/zinc/04/87/47/569048747.db2.gz NXWSVJRTUXXYND-JOCHJYFZSA-N 1 0 408.542 5.942 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000001298429 569048770 /nfs/dbraw/zinc/04/87/70/569048770.db2.gz OFCOARSTFHNNCU-JOCHJYFZSA-N 1 0 424.635 6.500 40 0 HKABRO CCc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298660 569048735 /nfs/dbraw/zinc/04/87/35/569048735.db2.gz XCGXGMICXDSFMX-UHFFFAOYSA-N 1 0 418.606 6.018 40 0 HKABRO CCc1cc([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298731 569048759 /nfs/dbraw/zinc/04/87/59/569048759.db2.gz KUODAOXXMGDQLW-JOCHJYFZSA-N 1 0 424.997 6.401 40 0 HKABRO CCc1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298733 569048751 /nfs/dbraw/zinc/04/87/51/569048751.db2.gz KUODAOXXMGDQLW-QFIPXVFZSA-N 1 0 424.997 6.401 40 0 HKABRO Cc1ccc(-c2cc3nc(-c4ccccc4)cc(NCC(C)(C)C[NH+](C)C)n3n2)cc1 ZINC000001341222 560575656 /nfs/dbraw/zinc/57/56/56/560575656.db2.gz XZBFAENKMSQPHT-UHFFFAOYSA-N 1 0 413.569 5.371 40 0 HKABRO CCOc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 ZINC000001468148 560558080 /nfs/dbraw/zinc/55/80/80/560558080.db2.gz FMICAYOGEMYUAT-UHFFFAOYSA-N 1 0 401.452 5.576 40 0 HKABRO C[N@H+]1[C@@H]2CC[C@H]1CC(N(CCc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000001507468 557270676 /nfs/dbraw/zinc/27/06/76/557270676.db2.gz UEDDLRKJYMSMJY-CBQGHPETSA-N 1 0 417.380 5.304 40 0 HKABRO CC(C)(Cc1c[nH]c2ccc(Cl)cc12)[NH2+]CCOc1ccccc1OCC1CC1 ZINC000001542749 557271794 /nfs/dbraw/zinc/27/17/94/557271794.db2.gz XLZHXAXXJVKTFM-UHFFFAOYSA-N 1 0 412.961 5.600 40 0 aggregator,in-vitro HKABRO COc1ccc(Oc2c(OC)cc(NCc3ccc(C[NH3+])cc3)c3ncccc32)cc1 ZINC000001565668 557272641 /nfs/dbraw/zinc/27/26/41/557272641.db2.gz CHWFXBQLQWJIOK-UHFFFAOYSA-N 1 0 415.493 5.115 40 0 HKABRO COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1Sc1ccc(Cl)cc1 ZINC000001568048 557272982 /nfs/dbraw/zinc/27/29/82/557272982.db2.gz ASBAZZCYURIEJD-AWEZNQCLSA-N 1 0 401.963 5.587 40 0 HKABRO CCC[NH+](CCC)C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000001568051 557273008 /nfs/dbraw/zinc/27/30/08/557273008.db2.gz GQVYZGLHUGDJLC-HNNXBMFYSA-N 1 0 408.386 5.428 40 0 HKABRO CCCCC[C@@H](C[NH+](C)C)C(=O)C[C@H](SCC)c1ccc(Cl)c(Cl)c1 ZINC000001573427 557273241 /nfs/dbraw/zinc/27/32/41/557273241.db2.gz BMJQGJIEPWCNSQ-JXFKEZNVSA-N 1 0 404.447 6.505 40 0 HKABRO CCCCC[C@H](C[NH+](C)C)C(=O)C[C@H](SCC)c1ccc(Cl)c(Cl)c1 ZINC000001573428 557273233 /nfs/dbraw/zinc/27/32/33/557273233.db2.gz BMJQGJIEPWCNSQ-UZLBHIALSA-N 1 0 404.447 6.505 40 0 HKABRO CCCCC[C@@H](C[NH+](C)C)C(=O)C[C@@H](SCC)c1ccc(Cl)c(Cl)c1 ZINC000001573429 557273164 /nfs/dbraw/zinc/27/31/64/557273164.db2.gz BMJQGJIEPWCNSQ-OXJNMPFZSA-N 1 0 404.447 6.505 40 0 HKABRO CCCCC[C@H](C[NH+](C)C)C(=O)C[C@@H](SCC)c1ccc(Cl)c(Cl)c1 ZINC000001573430 557273182 /nfs/dbraw/zinc/27/31/82/557273182.db2.gz BMJQGJIEPWCNSQ-OXQOHEQNSA-N 1 0 404.447 6.505 40 0 HKABRO O=C(Oc1ccc(/C=C/[n+]2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccccc1 ZINC000001581207 557273823 /nfs/dbraw/zinc/27/38/23/557273823.db2.gz SOCWISSUTZYLAR-KNTRCKAVSA-N 1 0 422.460 5.040 40 0 HKABRO CC(C)[C@@H]([C@H](F)C(=O)OCc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001586253 557274413 /nfs/dbraw/zinc/27/44/13/557274413.db2.gz DSSFNGQBDOOLFJ-UIOOFZCWSA-N 1 0 419.540 5.795 40 0 HKABRO CC(C)[C@H]([C@H](F)C(=O)OCc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001586254 557274408 /nfs/dbraw/zinc/27/44/08/557274408.db2.gz DSSFNGQBDOOLFJ-IZZNHLLZSA-N 1 0 419.540 5.795 40 0 HKABRO CC(C)[C@@H]([C@@H](F)C(=O)OCc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001586255 557274387 /nfs/dbraw/zinc/27/43/87/557274387.db2.gz DSSFNGQBDOOLFJ-FTJBHMTQSA-N 1 0 419.540 5.795 40 0 HKABRO CC(C)[C@H]([C@@H](F)C(=O)OCc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001586256 557274445 /nfs/dbraw/zinc/27/44/45/557274445.db2.gz DSSFNGQBDOOLFJ-CLJLJLNGSA-N 1 0 419.540 5.795 40 0 HKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1cc2c(c3ccc(Cl)cc31)CCCC2 ZINC000001591942 557275035 /nfs/dbraw/zinc/27/50/35/557275035.db2.gz MCZIZKWZMRJYDP-SANMLTNESA-N 1 0 416.049 7.088 40 0 HKABRO CCC[NH+](CCC)C[C@H](O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000001595084 557275239 /nfs/dbraw/zinc/27/52/39/557275239.db2.gz KKMSOYXAWZGFCG-QFIPXVFZSA-N 1 0 417.380 6.364 40 0 HKABRO O[C@@H](C[NH+](C1CCCCC1)C1CCCCC1)c1ccnc2c(Cl)cc(Cl)cc12 ZINC000001595086 557275204 /nfs/dbraw/zinc/27/52/04/557275204.db2.gz AHFROPKVRDZVJZ-QFIPXVFZSA-N 1 0 421.412 6.542 40 0 HKABRO COc1ccc(Oc2c(OC)cc(NCCCCC[NH2+]C(C)C)c3ncccc32)cc1 ZINC000001599092 557275377 /nfs/dbraw/zinc/27/53/77/557275377.db2.gz QWKGZWUCKIOVBG-UHFFFAOYSA-N 1 0 423.557 5.625 40 0 HKABRO c1ccc(C2=Cc3ccccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000001610276 557276069 /nfs/dbraw/zinc/27/60/69/557276069.db2.gz DBHGMZQRJDUFGS-MUUNZHRXSA-N 1 0 411.545 6.226 40 0 HKABRO C[NH+](C)CCCN(c1nc2cc(Cl)ccc2o1)c1nc2cc(Cl)ccc2o1 ZINC000001615420 557276320 /nfs/dbraw/zinc/27/63/20/557276320.db2.gz BRNUASLKHWKCTR-UHFFFAOYSA-N 1 0 405.285 5.366 40 0 HKABRO O[C@](CC[NH+]1CC2CCC(CC2)C1)(c1ccccc1)c1ccc(Br)cc1 ZINC000001615850 557276387 /nfs/dbraw/zinc/27/63/87/557276387.db2.gz WFSFMHOXGCCDGJ-MTNXOHHFSA-N 1 0 414.387 5.197 40 0 HKABRO COc1ccc(/C(Cl)=C(/c2ccc(O)cc2)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000001629222 557277420 /nfs/dbraw/zinc/27/74/20/557277420.db2.gz BJMAARQGPMBAAP-OCOZRVBESA-N 1 0 423.940 5.497 40 0 HKABRO CC[C@@]12CCC[N@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3[nH]c1[C@H](C(=O)OC)C2 ZINC000001630542 557277457 /nfs/dbraw/zinc/27/74/57/557277457.db2.gz IBFSIGFORJKEAJ-ZOSUSCCZSA-N 1 0 402.538 5.562 40 0 HKABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000001644116 557278591 /nfs/dbraw/zinc/27/85/91/557278591.db2.gz HUWMYWKVOFMCHZ-JOCHJYFZSA-N 1 0 404.392 6.052 40 0 HKABRO C[NH+](C)CCCCN1c2ccccc2Sc2ccc(C(=O)c3ccccc3)cc21 ZINC000001646841 535826028 /nfs/dbraw/zinc/82/60/28/535826028.db2.gz KVBFRXVIVVAPQM-UHFFFAOYSA-N 1 0 402.563 5.862 40 0 HKABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000001664911 557279135 /nfs/dbraw/zinc/27/91/35/557279135.db2.gz DHPFYIOBTJODBX-UHFFFAOYSA-N 1 0 424.328 5.136 40 0 HKABRO CC[NH+](CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 ZINC000001665282 557279543 /nfs/dbraw/zinc/27/95/43/557279543.db2.gz KGMPJLMGMLUCPH-NRFANRHFSA-N 1 0 403.353 5.892 40 0 HKABRO CC[NH+](CC)CCCCCNc1cc(OC(=O)c2ccccc2)cc2cccnc21 ZINC000001666877 557279527 /nfs/dbraw/zinc/27/95/27/557279527.db2.gz PIRVYWHQIXXGMI-UHFFFAOYSA-N 1 0 405.542 5.378 40 0 HKABRO O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)[C@@H]1CNc2ccccc2C1)[NH+]1CCCCC1 ZINC000001671573 557279790 /nfs/dbraw/zinc/27/97/90/557279790.db2.gz GUZQFFCTFIRWPU-MYKRZTLLSA-N 1 0 424.588 5.792 40 0 HKABRO c1ccc(CN2CC[N@H+](Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000001671574 557279819 /nfs/dbraw/zinc/27/98/19/557279819.db2.gz YUVNSJUFIXOJHN-UHFFFAOYSA-N 1 0 416.568 6.530 40 0 HKABRO CC[NH+](CC)CCOc1ccc(-c2c3ccccc3oc(=O)c2-c2ccccc2)cc1 ZINC000001680080 569143978 /nfs/dbraw/zinc/14/39/78/569143978.db2.gz CLHXCYAJKPOMBO-UHFFFAOYSA-N 1 0 413.517 5.848 40 0 HKABRO CC[NH+](CC)CCOc1ccc([C@](O)(Cc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001680920 557280398 /nfs/dbraw/zinc/28/03/98/557280398.db2.gz JGLROVOJKXIJKB-SANMLTNESA-N 1 0 423.984 5.539 40 0 in-vitro HKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1ccc(I)cc1 ZINC000001683565 557280422 /nfs/dbraw/zinc/28/04/22/557280422.db2.gz BKUWTUNGQXZEAV-SFHVURJKSA-N 1 0 403.348 5.007 40 0 HKABRO CC(C)[NH+](CCOC(=O)c1cc(Br)cc(-c2ccccc2)c1O)C(C)C ZINC000001683574 557280453 /nfs/dbraw/zinc/28/04/53/557280453.db2.gz NLHREOAKRZWKGM-UHFFFAOYSA-N 1 0 420.347 5.097 40 0 HKABRO CC(C)CCC[NH+](CCCC(C)C)C[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001683594 557280417 /nfs/dbraw/zinc/28/04/17/557280417.db2.gz CMRXWGIWQNOVPL-NDEPHWFRSA-N 1 0 409.658 6.926 40 0 HKABRO O[C@@H](C[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000001686978 557280745 /nfs/dbraw/zinc/28/07/45/557280745.db2.gz XQRAFDCEKRYLLH-QFIPXVFZSA-N 1 0 401.337 5.728 40 0 HKABRO CCCC[NH+](CCCC)CCC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1 ZINC000001687310 557280793 /nfs/dbraw/zinc/28/07/93/557280793.db2.gz MDTVCCGWRHZFDK-UHFFFAOYSA-N 1 0 403.566 7.089 40 0 HKABRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001689586 132247340 /nfs/dbraw/zinc/24/73/40/132247340.db2.gz FVXMKGRYMOKOFX-JWTNVVGKSA-N 1 0 400.975 5.321 40 0 in-vitro HKABRO CC[NH+](CC)CCOC(=O)[C@H]1[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001699498 557281363 /nfs/dbraw/zinc/28/13/63/557281363.db2.gz KBRRUVKSKDQSOP-CLJLJLNGSA-N 1 0 413.561 5.271 40 0 HKABRO CC[NH+](CC)CCOC(=O)[C@@H]1[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001699499 557281388 /nfs/dbraw/zinc/28/13/88/557281388.db2.gz KBRRUVKSKDQSOP-FTJBHMTQSA-N 1 0 413.561 5.271 40 0 HKABRO CC[NH+](CC)CCOC(=O)[C@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001699500 557281434 /nfs/dbraw/zinc/28/14/34/557281434.db2.gz KBRRUVKSKDQSOP-IZZNHLLZSA-N 1 0 413.561 5.271 40 0 HKABRO CC[NH+](CC)CCOC(=O)[C@@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001699501 557281384 /nfs/dbraw/zinc/28/13/84/557281384.db2.gz KBRRUVKSKDQSOP-UIOOFZCWSA-N 1 0 413.561 5.271 40 0 HKABRO CC[NH+](CC)CC[C@H](CNc1ccnc2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000001700326 557281441 /nfs/dbraw/zinc/28/14/41/557281441.db2.gz DSMFZNJRJXGJSS-GOSISDBHSA-N 1 0 416.396 6.469 40 0 HKABRO CC[NH+](CC)CCC[C@H](C)Nc1ncnc(Cl)c1C(=C(C)C)c1ccccc1 ZINC000001704272 557281975 /nfs/dbraw/zinc/28/19/75/557281975.db2.gz OPPIXXYSSVPYDH-SFHVURJKSA-N 1 0 400.998 5.894 40 0 HKABRO CC[NH+](CC)CC[C@H](CNc1ccnc2cc(Cl)ccc21)c1ccc(OC)cc1 ZINC000001706248 557281889 /nfs/dbraw/zinc/28/18/89/557281889.db2.gz ONWXIFYYIJRKRF-LJQANCHMSA-N 1 0 411.977 5.824 40 0 HKABRO CC[NH+](CC)CCOC(=O)C(O)(c1ccc(C(C)C)cc1)c1ccc(C(C)C)cc1 ZINC000001710849 557282278 /nfs/dbraw/zinc/28/22/78/557282278.db2.gz ALYJRISEOMAKIF-UHFFFAOYSA-N 1 0 411.586 5.054 40 0 HKABRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1COC(=O)c1cccc(Br)c1 ZINC000001716186 557282464 /nfs/dbraw/zinc/28/24/64/557282464.db2.gz TUKLUQBCQLQCTC-INIZCTEOSA-N 1 0 402.332 5.181 40 0 HKABRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1COC(=O)c1ccc(Br)cc1 ZINC000001716187 557282525 /nfs/dbraw/zinc/28/25/25/557282525.db2.gz HZTXHBKYGFJITQ-INIZCTEOSA-N 1 0 402.332 5.181 40 0 HKABRO Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)[NH+]2CCCC2)c(C)c1 ZINC000001720218 569144975 /nfs/dbraw/zinc/14/49/75/569144975.db2.gz SMEZXTBXLFSIDO-SXOMAYOGSA-N 1 0 413.561 6.347 40 0 HKABRO Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH+]2CCCC2)c(C)c1 ZINC000001720219 569145014 /nfs/dbraw/zinc/14/50/14/569145014.db2.gz SMEZXTBXLFSIDO-KAYWLYCHSA-N 1 0 413.561 6.347 40 0 HKABRO Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)[NH+]2CCCC2)c(C)c1 ZINC000001720220 569145011 /nfs/dbraw/zinc/14/50/11/569145011.db2.gz SMEZXTBXLFSIDO-SVBPBHIXSA-N 1 0 413.561 6.347 40 0 HKABRO Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)[NH+]2CCCC2)c(C)c1 ZINC000001720221 569144970 /nfs/dbraw/zinc/14/49/70/569144970.db2.gz SMEZXTBXLFSIDO-RRPNLBNLSA-N 1 0 413.561 6.347 40 0 HKABRO CC[N@@H+]1CC[C@@](CCOC)(CN2c3ccccc3Sc3ccc(Cl)cc32)C1 ZINC000001726496 132247628 /nfs/dbraw/zinc/24/76/28/132247628.db2.gz NJAXYLBHGRUHJR-QFIPXVFZSA-N 1 0 402.991 5.691 40 0 HKABRO C[N@@H+]1CC[C@@](CCC(=O)OC(C)(C)C)(CN2c3ccccc3Sc3ccccc32)C1 ZINC000001726504 536475522 /nfs/dbraw/zinc/47/55/22/536475522.db2.gz KPRFXTZPBHBLSP-RUZDIDTESA-N 1 0 424.610 5.733 40 0 HKABRO CC[NH+](CC)Cc1cc(O)ccc1NCCCNc1ccnc2cc(Cl)ccc21 ZINC000001728955 557283207 /nfs/dbraw/zinc/28/32/07/557283207.db2.gz AMYCEDJOERJLHV-UHFFFAOYSA-N 1 0 412.965 5.350 40 0 HKABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(OCc2ccccc2)c2ccccc21 ZINC000001729673 557283176 /nfs/dbraw/zinc/28/31/76/557283176.db2.gz JWDBUSDBDUZDTQ-SANMLTNESA-N 1 0 405.582 6.354 40 0 HKABRO c1ccc(CN2C=C(c3ccccc3)[NH+](C3CCCCC3)C(c3ccccc3)=C2)cc1 ZINC000001731063 557283555 /nfs/dbraw/zinc/28/35/55/557283555.db2.gz JSOOTFHJYYMOSZ-UHFFFAOYSA-N 1 0 406.573 7.134 40 0 HKABRO C[N@H+](Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000001744877 557284315 /nfs/dbraw/zinc/28/43/15/557284315.db2.gz PVLWQGZUFMCXRG-NSOVKSMOSA-N 1 0 423.556 5.157 40 0 HKABRO COc1ccc([C@@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)[NH+](C)C)cc1 ZINC000001758875 557285054 /nfs/dbraw/zinc/28/50/54/557285054.db2.gz DZUUHEOUVSUUCX-DFBJGRDBSA-N 1 0 403.522 5.062 40 0 HKABRO COc1ccc([C@@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@@H](C)[NH+](C)C)cc1 ZINC000001758877 557285149 /nfs/dbraw/zinc/28/51/49/557285149.db2.gz DZUUHEOUVSUUCX-CLOONOSVSA-N 1 0 403.522 5.062 40 0 HKABRO COc1ccc([C@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)[NH+](C)C)cc1 ZINC000001758878 557285092 /nfs/dbraw/zinc/28/50/92/557285092.db2.gz DZUUHEOUVSUUCX-UQBPGWFLSA-N 1 0 403.522 5.062 40 0 HKABRO COc1ccc([C@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@@H](C)[NH+](C)C)cc1 ZINC000001758879 557285134 /nfs/dbraw/zinc/28/51/34/557285134.db2.gz DZUUHEOUVSUUCX-KBMIEXCESA-N 1 0 403.522 5.062 40 0 HKABRO CC[NH+](CC)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(OC)cc1 ZINC000001758916 557285397 /nfs/dbraw/zinc/28/53/97/557285397.db2.gz CYNSIYBEXZZWRZ-UHFFFAOYSA-N 1 0 416.565 5.202 40 0 HKABRO CC[NH+](CC)CCN(C(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 ZINC000001865349 557292939 /nfs/dbraw/zinc/29/29/39/557292939.db2.gz BDPLKKLOCYKGTN-UHFFFAOYSA-N 1 0 400.522 5.299 40 0 HKABRO COc1ccccc1C1(O)CC[NH+](CCCn2c3ccccc3c3ccccc32)CC1 ZINC000001893129 560185246 /nfs/dbraw/zinc/18/52/46/560185246.db2.gz XZZYCJOGZYEPPW-UHFFFAOYSA-N 1 0 414.549 5.177 40 0 in-vitro HKABRO c1ccc(C2=Cc3ccccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000001905268 557295519 /nfs/dbraw/zinc/29/55/19/557295519.db2.gz DBHGMZQRJDUFGS-NDEPHWFRSA-N 1 0 411.545 6.226 40 0 HKABRO COc1ccc2c(c1)-c1c(O)c(OC)ccc1C[C@H](CCc1ccccc1)[N@@H+](C)CC2 ZINC000001999551 557299190 /nfs/dbraw/zinc/29/91/90/557299190.db2.gz IORHSKBXWWSQME-QFIPXVFZSA-N 1 0 417.549 5.108 40 0 in-man HKABRO CC[NH+](CC)CC[C@@H](CNc1ccnc2cc(Cl)ccc21)c1ccc(OC)cc1 ZINC000002042679 557300115 /nfs/dbraw/zinc/30/01/15/557300115.db2.gz ONWXIFYYIJRKRF-IBGZPJMESA-N 1 0 411.977 5.824 40 0 HKABRO CC[NH+](CC)CC[C@@H](CNc1ccnc2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000002042882 557300049 /nfs/dbraw/zinc/30/00/49/557300049.db2.gz DSMFZNJRJXGJSS-SFHVURJKSA-N 1 0 416.396 6.469 40 0 HKABRO CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)ccc1O ZINC000002098994 568932623 /nfs/dbraw/zinc/93/26/23/568932623.db2.gz XGYONAAGJOZHRO-KXCAJURRSA-N 1 0 407.554 5.172 40 0 HKABRO COc1ccccc1C1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000002260794 560559567 /nfs/dbraw/zinc/55/95/67/560559567.db2.gz LTBHDKLBZYZJDK-RZVBBFASSA-N 1 0 401.550 5.583 40 0 HKABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000002406893 557705263 /nfs/dbraw/zinc/70/52/63/557705263.db2.gz WHZYEDGTWVFQTK-OYDLWJJNSA-N 1 0 415.961 5.226 40 0 HKABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1OC ZINC000002448672 560559841 /nfs/dbraw/zinc/55/98/41/560559841.db2.gz SCUTXQRXFFYAIA-IGKWTDBASA-N 1 0 415.961 5.226 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)[NH+]2CCCCC2)c1C ZINC000002546344 569166529 /nfs/dbraw/zinc/16/65/29/569166529.db2.gz RIBDKEJKPSIYMA-HSZRJFAPSA-N 1 0 404.579 6.193 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)[NH+]2CCCCC2)c1C ZINC000002546347 569166542 /nfs/dbraw/zinc/16/65/42/569166542.db2.gz RIBDKEJKPSIYMA-QHCPKHFHSA-N 1 0 404.579 6.193 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1C ZINC000002546433 569166516 /nfs/dbraw/zinc/16/65/16/569166516.db2.gz LJGUUEAXMPCDBS-HSZRJFAPSA-N 1 0 422.569 6.332 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1C ZINC000002546436 569166566 /nfs/dbraw/zinc/16/65/66/569166566.db2.gz LJGUUEAXMPCDBS-QHCPKHFHSA-N 1 0 422.569 6.332 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000002546450 569166614 /nfs/dbraw/zinc/16/66/14/569166614.db2.gz YUCVWCWMJIOHNV-JOCHJYFZSA-N 1 0 424.997 6.456 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000002546452 569166634 /nfs/dbraw/zinc/16/66/34/569166634.db2.gz YUCVWCWMJIOHNV-QFIPXVFZSA-N 1 0 424.997 6.456 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2F)[NH+]2CCCCC2)c1C ZINC000002546497 569166665 /nfs/dbraw/zinc/16/66/65/569166665.db2.gz TVQOFRXHPKIJRS-HSZRJFAPSA-N 1 0 422.569 6.332 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2F)[NH+]2CCCCC2)c1C ZINC000002546500 569166629 /nfs/dbraw/zinc/16/66/29/569166629.db2.gz TVQOFRXHPKIJRS-QHCPKHFHSA-N 1 0 422.569 6.332 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c1C ZINC000002546530 569166606 /nfs/dbraw/zinc/16/66/06/569166606.db2.gz KSOHPOCEWBGZKN-HSZRJFAPSA-N 1 0 422.569 6.332 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)[NH+]2CCCCC2)c1C ZINC000002546533 569166610 /nfs/dbraw/zinc/16/66/10/569166610.db2.gz KSOHPOCEWBGZKN-QHCPKHFHSA-N 1 0 422.569 6.332 40 0 HKABRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)CC(C)(C)C1 ZINC000002577838 568784699 /nfs/dbraw/zinc/78/46/99/568784699.db2.gz RTTSRQHDBYZLNL-CZSZKKDXSA-N 1 0 421.521 6.097 40 0 HKABRO c1ccc(C(O[C@@H]2CCC[N@@H+](CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1 ZINC000003802222 557498795 /nfs/dbraw/zinc/49/87/95/557498795.db2.gz BDNFQGRSKSQXRI-XMMPIXPASA-N 1 0 415.533 5.228 40 0 in-man HKABRO CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCC[NH+](C)C)n1 ZINC000003803304 557498742 /nfs/dbraw/zinc/49/87/42/557498742.db2.gz HAGHKJDWBDSFKC-UHFFFAOYSA-N 1 0 418.672 6.492 40 0 in-vivo HKABRO FC(F)(F)c1cc(CO[C@H]2CCC[NH2+][C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000003809445 557498723 /nfs/dbraw/zinc/49/87/23/557498723.db2.gz FCDRFVCGMLUYPG-ROUUACIJSA-N 1 0 403.366 5.734 40 0 in-vivo HKABRO CC[C@@H](c1ccccc1)[C@](O)(c1ccco1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000003846964 557500513 /nfs/dbraw/zinc/50/05/13/557500513.db2.gz MMNKRZBIPYLJRJ-AHWVRZQESA-N 1 0 405.538 5.184 40 0 HKABRO CC[C@H](c1ccccc1)[C@](O)(c1ccco1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000003846965 557500575 /nfs/dbraw/zinc/50/05/75/557500575.db2.gz MMNKRZBIPYLJRJ-RSXGOPAZSA-N 1 0 405.538 5.184 40 0 HKABRO CC[C@@H](c1ccccc1)[C@@](O)(c1ccco1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000003846966 557500628 /nfs/dbraw/zinc/50/06/28/557500628.db2.gz MMNKRZBIPYLJRJ-AZGAKELHSA-N 1 0 405.538 5.184 40 0 HKABRO CC[C@H](c1ccccc1)[C@@](O)(c1ccco1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000003846967 557500523 /nfs/dbraw/zinc/50/05/23/557500523.db2.gz MMNKRZBIPYLJRJ-AOYPEHQESA-N 1 0 405.538 5.184 40 0 HKABRO COc1cccc2c(-c3c(O)cc(OC)c4c3C[C@H](C)[NH2+][C@H]4C)c(C)cc(OC)c12 ZINC000004098020 291294225 /nfs/dbraw/zinc/29/42/25/291294225.db2.gz XUFOYASAFNKRRE-GJZGRUSLSA-N 1 0 407.510 5.142 40 0 biogenic,in-vitro HKABRO C[NH+](C)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 ZINC000004188857 560602736 /nfs/dbraw/zinc/60/27/36/560602736.db2.gz MROWGXFQRBZWLF-UHFFFAOYSA-N 1 0 421.610 5.706 40 0 HKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccccc2)cs1 ZINC000004188888 560602709 /nfs/dbraw/zinc/60/27/09/560602709.db2.gz YQFAVDAQRZKHLR-UHFFFAOYSA-N 1 0 407.583 5.497 40 0 HKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 ZINC000004188899 557526771 /nfs/dbraw/zinc/52/67/71/557526771.db2.gz PQKHJTKJVQPJCS-UHFFFAOYSA-N 1 0 423.582 5.197 40 0 HKABRO CC[NH+](CC)CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccccc2)cs1 ZINC000004214754 560603817 /nfs/dbraw/zinc/60/38/17/560603817.db2.gz FVVGLSAVEAVCPJ-UHFFFAOYSA-N 1 0 411.546 5.328 40 0 HKABRO Cc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3cccc(Cl)c3)n2)cc1 ZINC000004214835 560603939 /nfs/dbraw/zinc/60/39/39/560603939.db2.gz ODSCASPQZFTSPN-UHFFFAOYSA-N 1 0 413.974 5.370 40 0 HKABRO C[NH+](C)CCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004214929 560603928 /nfs/dbraw/zinc/60/39/28/560603928.db2.gz JEDXVUHKIMJYPO-UHFFFAOYSA-N 1 0 417.937 5.201 40 0 HKABRO C[NH+](C)CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004214930 560603936 /nfs/dbraw/zinc/60/39/36/560603936.db2.gz APGXARINLGGVRW-UHFFFAOYSA-N 1 0 417.937 5.201 40 0 HKABRO CC[NH+](CC)CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004214942 560603922 /nfs/dbraw/zinc/60/39/22/560603922.db2.gz CTZRVLWWCNVIHZ-UHFFFAOYSA-N 1 0 417.962 5.435 40 0 HKABRO O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2)C1 ZINC000004237283 291298704 /nfs/dbraw/zinc/29/87/04/291298704.db2.gz VLLARFPTOOWKAT-SQJMNOBHSA-N 1 0 406.529 5.288 40 0 biogenic,in-vitro HKABRO C[N@H+]1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]1CC2 ZINC000004256158 557532426 /nfs/dbraw/zinc/53/24/26/557532426.db2.gz ZRNVQJAGAFWHLN-SXOMAYOGSA-N 1 0 422.572 5.789 40 0 HKABRO CCCCC[NH+](CCCCC)CCCCCCCCN1CCCc2ccccc21 ZINC000004366641 132275823 /nfs/dbraw/zinc/27/58/23/132275823.db2.gz LYHQUWCTSZHPPX-UHFFFAOYSA-N 1 0 400.695 7.462 40 0 HKABRO Fc1ccc2c(c1)nc(C(F)(F)F)n2C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004396796 557551798 /nfs/dbraw/zinc/55/17/98/557551798.db2.gz PIUNIBXYMLFNCP-UHFFFAOYSA-N 1 0 411.830 5.685 40 0 HKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000004411123 557552619 /nfs/dbraw/zinc/55/26/19/557552619.db2.gz VNEARXBVTVNPAZ-NDEPHWFRSA-N 1 0 409.658 7.215 40 0 HKABRO CCCCC[NH+](CCCCC)C[C@@H](OC(C)=O)c1cc2c(c3ccccc31)CCCC2 ZINC000004416123 557553340 /nfs/dbraw/zinc/55/33/40/557553340.db2.gz DPKDGTMNCRDACZ-MUUNZHRXSA-N 1 0 423.641 7.005 40 0 HKABRO CCOC(=O)N1CC[NH+](CCCCCCOc2ccccc2C2CCCCC2)CC1 ZINC000004416355 557553671 /nfs/dbraw/zinc/55/36/71/557553671.db2.gz CZWFEIPDFUMCFT-UHFFFAOYSA-N 1 0 416.606 5.448 40 0 HKABRO CCCC[NH+](CCCC)CCCN[C@@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000004416941 557553639 /nfs/dbraw/zinc/55/36/39/557553639.db2.gz MGPDEDSLLJBNBZ-VWLOTQADSA-N 1 0 417.037 6.320 40 0 HKABRO CCOC(=O)N1CC[NH+](CCCCCOc2ccccc2C2CCCCC2)CC1 ZINC000004429336 557554786 /nfs/dbraw/zinc/55/47/86/557554786.db2.gz JMEITPHRYWRYSY-UHFFFAOYSA-N 1 0 402.579 5.058 40 0 HKABRO CCOC(=O)N1CC[NH+](CCCCCCOc2ccc(C3CCCCC3)cc2)CC1 ZINC000004429337 557554817 /nfs/dbraw/zinc/55/48/17/557554817.db2.gz CSNVOYNPHPLBAR-UHFFFAOYSA-N 1 0 416.606 5.448 40 0 HKABRO CCCCC[NH+](CCCCC)C[C@@](C)(O)CNc1cc(OC)cc2cccnc21 ZINC000004522439 557563279 /nfs/dbraw/zinc/56/32/79/557563279.db2.gz RKPZRAIHEWIFKA-DEOSSOPVSA-N 1 0 401.595 5.089 40 0 HKABRO O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)[C@H]1CNc2ccccc2C1)[NH+]1CCCCC1 ZINC000004522743 557563366 /nfs/dbraw/zinc/56/33/66/557563366.db2.gz GUZQFFCTFIRWPU-PKXQUSJVSA-N 1 0 424.588 5.792 40 0 HKABRO O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)[C@H]1CNc2ccccc2C1)[NH+]1CCCCC1 ZINC000004522744 557563355 /nfs/dbraw/zinc/56/33/55/557563355.db2.gz GUZQFFCTFIRWPU-KZQOYIJHSA-N 1 0 424.588 5.792 40 0 HKABRO O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)[C@@H]1CNc2ccccc2C1)[NH+]1CCCCC1 ZINC000004522745 557563449 /nfs/dbraw/zinc/56/34/49/557563449.db2.gz GUZQFFCTFIRWPU-ITHJLQSDSA-N 1 0 424.588 5.792 40 0 HKABRO CC(C)(CO)[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000004657410 557576855 /nfs/dbraw/zinc/57/68/55/557576855.db2.gz FQLRZWAWRXIZSK-UHFFFAOYSA-N 1 0 404.337 5.586 40 0 HKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004683307 557581046 /nfs/dbraw/zinc/58/10/46/557581046.db2.gz WHZUCKVXGABTPN-AXYOXNHISA-N 1 0 413.734 7.958 40 0 HKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004683310 557581060 /nfs/dbraw/zinc/58/10/60/557581060.db2.gz XANNAGNXGOOWOX-XWEDIQBQSA-N 1 0 415.750 8.038 40 0 HKABRO COc1ccccc1C1(O)[C@@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004714096 568419464 /nfs/dbraw/zinc/41/94/64/568419464.db2.gz LTBHDKLBZYZJDK-KFJMFTIGSA-N 1 0 401.550 5.583 40 0 HKABRO COc1ccccc1C1(O)[C@H](C)[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004714097 568419415 /nfs/dbraw/zinc/41/94/15/568419415.db2.gz LTBHDKLBZYZJDK-HULPHCPZSA-N 1 0 401.550 5.583 40 0 HKABRO COc1ccccc1C1(O)[C@@H](C)[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004714098 568419472 /nfs/dbraw/zinc/41/94/72/568419472.db2.gz LTBHDKLBZYZJDK-HKDRDPIHSA-N 1 0 401.550 5.583 40 0 HKABRO CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCC[NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004727021 557587424 /nfs/dbraw/zinc/58/74/24/557587424.db2.gz NPTNCOUTQMAIFQ-JEXOSSJKSA-N 1 0 413.690 6.847 40 0 HKABRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000004769088 557596201 /nfs/dbraw/zinc/59/62/01/557596201.db2.gz PJYGEANQOSQVPD-UHFFFAOYSA-N 1 0 414.549 5.295 40 0 HKABRO c1c[n+](C(c2ccccc2)c2ccccc2)cn1C(c1ccccc1)c1ccccc1 ZINC000004771329 559032187 /nfs/dbraw/zinc/03/21/87/559032187.db2.gz BYESPKMQEDKMHU-UHFFFAOYSA-N 1 0 401.533 6.051 40 0 HKABRO O=C(OC1(c2nccc3ccccc32)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000004774466 557596695 /nfs/dbraw/zinc/59/66/95/557596695.db2.gz WTIRZMWPTTTYJK-UHFFFAOYSA-N 1 0 422.528 5.583 40 0 HKABRO CCCC[NH+](CCCC)C[C@@H](CN(CC)CC)N(CC)C(=O)Nc1ccccc1 ZINC000004778078 557597122 /nfs/dbraw/zinc/59/71/22/557597122.db2.gz JUAKBZVJVLEKKL-HSZRJFAPSA-N 1 0 404.643 5.153 40 0 HKABRO CCC(=O)N(CC[C@@]1(c2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C)Cc1ccc(OC)cc1 ZINC000004785717 560608718 /nfs/dbraw/zinc/60/87/18/560608718.db2.gz FWOQAZJKWCARFG-BCQCSXDESA-N 1 0 422.613 5.122 40 0 HKABRO CCC(=O)N(CC[C@@]1(c2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C)Cc1ccc(OC)cc1 ZINC000004785719 560608707 /nfs/dbraw/zinc/60/87/07/560608707.db2.gz FWOQAZJKWCARFG-OREGWCPLSA-N 1 0 422.613 5.122 40 0 HKABRO O[C@]1(c2ccccc2)O[C@@H](c2ccccc2)C[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000004792095 557598178 /nfs/dbraw/zinc/59/81/78/557598178.db2.gz GRJGBWAPFPDRSY-SSBOKUKZSA-N 1 0 421.540 5.847 40 0 HKABRO O[C@]1(c2ccccc2)O[C@H](c2ccccc2)C[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000004792096 557598193 /nfs/dbraw/zinc/59/81/93/557598193.db2.gz GRJGBWAPFPDRSY-YTCPBCGMSA-N 1 0 421.540 5.847 40 0 HKABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000004820266 568421144 /nfs/dbraw/zinc/42/11/44/568421144.db2.gz CWVBPMKCELIABZ-MPGHIAIKSA-N 1 0 405.369 5.440 40 0 HKABRO CCCCCC[C@H](C)CCCCCCCC[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000004825153 557603576 /nfs/dbraw/zinc/60/35/76/557603576.db2.gz JDKRQCLYDUOXNT-QFIPXVFZSA-N 1 0 404.639 6.352 40 0 HKABRO CCOc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000004857300 560612036 /nfs/dbraw/zinc/61/20/36/560612036.db2.gz VEOYJBYUHPFCCH-AYHJJNSGSA-N 1 0 415.628 5.019 40 0 HKABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004859477 560613087 /nfs/dbraw/zinc/61/30/87/560613087.db2.gz NYSJESQNLHOFRH-MPGHIAIKSA-N 1 0 405.369 5.725 40 0 HKABRO O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000004883054 557609702 /nfs/dbraw/zinc/60/97/02/557609702.db2.gz FRJNEHLBVLTPBU-SEJPIABJSA-N 1 0 401.913 5.186 40 0 HKABRO O=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000004883144 560614785 /nfs/dbraw/zinc/61/47/85/560614785.db2.gz JWMBMROYEFZTDP-YQQQUEKLSA-N 1 0 401.913 5.186 40 0 HKABRO O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000004883215 557609738 /nfs/dbraw/zinc/60/97/38/557609738.db2.gz LQRATDFWKBPIBH-MQVJKMGUSA-N 1 0 423.504 5.474 40 0 HKABRO O=C(Nc1ccc(C(F)(F)F)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000004883249 560614759 /nfs/dbraw/zinc/61/47/59/560614759.db2.gz PMQWLGQMTPXPQH-AYHJJNSGSA-N 1 0 423.504 5.474 40 0 HKABRO CCCCCc1ccc(OCCCC[n+]2cn(C)c3ccccc32)c(C(C)(C)CC)c1 ZINC000004893681 560615520 /nfs/dbraw/zinc/61/55/20/560615520.db2.gz WLIIPHGZJJKGIG-UHFFFAOYSA-N 1 0 421.649 6.745 40 0 HKABRO CC(C)(C)c1ccc(C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000004895286 560611095 /nfs/dbraw/zinc/61/10/95/560611095.db2.gz IEQQYKKMRWFQRN-UHFFFAOYSA-N 1 0 416.491 5.585 40 0 HKABRO CC(C)(C)[C@@H]1CCc2c(sc3nc(C[NH2+]C4CCCCCCC4)[nH]c(=O)c23)C1 ZINC000004901952 559200037 /nfs/dbraw/zinc/20/00/37/559200037.db2.gz DDBRFNBAEOWAQD-OAHLLOKOSA-N 1 0 401.620 5.338 40 0 HKABRO CC(C)(C)[C@H]1CCc2c(sc3nc(C[NH2+]C4CCCCCCC4)[nH]c(=O)c23)C1 ZINC000004901959 560613761 /nfs/dbraw/zinc/61/37/61/560613761.db2.gz DDBRFNBAEOWAQD-HNNXBMFYSA-N 1 0 401.620 5.338 40 0 HKABRO C(=C\c1ccc(-[n+]2nc(-c3ccccc3)nn2-c2ccccc2)cc1)\c1ccccc1 ZINC000004916716 557614071 /nfs/dbraw/zinc/61/40/71/557614071.db2.gz ZLKDAUOJQKIWLC-MSUUIHNZSA-N 1 0 401.493 5.381 40 0 HKABRO O=C(Oc1cccc(/C=C\[n+]2ccccc2)c1OC(=O)c1ccccc1)c1ccccc1 ZINC000004934053 557614814 /nfs/dbraw/zinc/61/48/14/557614814.db2.gz RHTQFTMDELZSNC-JZJYNLBNSA-N 1 0 422.460 5.040 40 0 HKABRO CC[NH+](CC)CCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000004980491 560622909 /nfs/dbraw/zinc/62/29/09/560622909.db2.gz JOJBDUZVTVHAIL-UHFFFAOYSA-N 1 0 417.532 5.346 40 0 HKABRO Cc1cccc(-c2cc3nc(-c4ccccc4)cc(NCC(C)(C)C[NH+](C)C)n3n2)c1 ZINC000004980529 560622913 /nfs/dbraw/zinc/62/29/13/560622913.db2.gz ZBCIIUKWVSQFLQ-UHFFFAOYSA-N 1 0 413.569 5.371 40 0 HKABRO C[NH+](C)CC(C)(C)CNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn21 ZINC000004980565 560622906 /nfs/dbraw/zinc/62/29/06/560622906.db2.gz DPDBLWCYWVGDDJ-UHFFFAOYSA-N 1 0 417.532 5.202 40 0 HKABRO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)[N@@H+]2Cc1ccccc1 ZINC000004984375 560619259 /nfs/dbraw/zinc/61/92/59/560619259.db2.gz ZHLJKTQAWJWBRF-TVPUMLRDSA-N 1 0 417.505 5.034 40 0 HKABRO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)[N@@H+]2Cc1ccccc1 ZINC000004984391 560619206 /nfs/dbraw/zinc/61/92/06/560619206.db2.gz ZHLJKTQAWJWBRF-XBZNOJLSSA-N 1 0 417.505 5.034 40 0 HKABRO Cc1cccc(-c2ocnc2C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000005001987 569051801 /nfs/dbraw/zinc/05/18/01/569051801.db2.gz PDZWGMUHAXEMFJ-UHFFFAOYSA-N 1 0 403.526 5.667 40 0 HKABRO COc1ccccc1[C@@]1(CC[NH2+][C@@H](C)c2ccc(Cl)cc2)CCO[C@H](C(C)C)C1 ZINC000005024396 569323412 /nfs/dbraw/zinc/32/34/12/569323412.db2.gz DZYXLXFXKIWHKF-LQGLAIQGSA-N 1 0 416.005 6.162 40 0 HKABRO COc1ccccc1[C@@]1(CC[NH2+][C@@H](C)c2ccc(Cl)cc2)CCO[C@@H](C(C)C)C1 ZINC000005024397 569323345 /nfs/dbraw/zinc/32/33/45/569323345.db2.gz DZYXLXFXKIWHKF-OWAUWMPXSA-N 1 0 416.005 6.162 40 0 HKABRO Cc1ccc([C@@]2(CC[NH2+][C@@H](C)c3ccc(Cl)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000005024826 557627130 /nfs/dbraw/zinc/62/71/30/557627130.db2.gz VJRNJFGPKMJBSQ-OPXMRZJTSA-N 1 0 400.006 6.462 40 0 HKABRO Cc1ccc([C@@]2(CC[NH2+][C@@H](C)c3ccc(Cl)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000005024828 557627148 /nfs/dbraw/zinc/62/71/48/557627148.db2.gz VJRNJFGPKMJBSQ-AMDXRBSFSA-N 1 0 400.006 6.462 40 0 HKABRO COc1ccccc1[C@@]1(O)C[C@@H](c2ccc(C)cc2)[NH2+][C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005025073 557627104 /nfs/dbraw/zinc/62/71/04/557627104.db2.gz VXHVUKKYMOSWJM-YEOGNCHCSA-N 1 0 401.550 5.612 40 0 HKABRO COc1ccccc1[C@@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005025074 557627120 /nfs/dbraw/zinc/62/71/20/557627120.db2.gz VXHVUKKYMOSWJM-RXTZQXTGSA-N 1 0 401.550 5.612 40 0 HKABRO COc1ccccc1[C@]1(O)C[C@@H](c2ccc(C)cc2)[NH2+][C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005025075 557627139 /nfs/dbraw/zinc/62/71/39/557627139.db2.gz VXHVUKKYMOSWJM-HQGVHHEMSA-N 1 0 401.550 5.612 40 0 HKABRO CCCC[NH+](CCCC)CC(=O)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1 ZINC000005030903 569255675 /nfs/dbraw/zinc/25/56/75/569255675.db2.gz XKYKKTDPUUKGSR-UHFFFAOYSA-N 1 0 424.516 5.440 40 0 HKABRO C[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)[NH+](C1CCCC1)C1CCCC1 ZINC000005046295 557629354 /nfs/dbraw/zinc/62/93/54/557629354.db2.gz RQTDMICCMOXGPP-OAQYLSRUSA-N 1 0 421.581 5.041 40 0 HKABRO CC[N@@H+]1CC[C@](CCOC)(CN2c3ccccc3Sc3ccc(Cl)cc32)C1 ZINC000005053138 132299664 /nfs/dbraw/zinc/29/96/64/132299664.db2.gz NJAXYLBHGRUHJR-JOCHJYFZSA-N 1 0 402.991 5.691 40 0 HKABRO C[N@@H+]1CC[C@](CCC(=O)OC(C)(C)C)(CN2c3ccccc3Sc3ccccc32)C1 ZINC000005053140 132299672 /nfs/dbraw/zinc/29/96/72/132299672.db2.gz KPRFXTZPBHBLSP-VWLOTQADSA-N 1 0 424.610 5.733 40 0 HKABRO CCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000005093678 568433327 /nfs/dbraw/zinc/43/33/27/568433327.db2.gz FWIMWRAGFVUMJK-UVUUWJHSSA-N 1 0 403.541 6.152 40 0 HKABRO CCC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000005093681 568433339 /nfs/dbraw/zinc/43/33/39/568433339.db2.gz FWIMWRAGFVUMJK-YNOCBOJOSA-N 1 0 403.541 6.152 40 0 HKABRO CCC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000005093684 568433308 /nfs/dbraw/zinc/43/33/08/568433308.db2.gz FWIMWRAGFVUMJK-NFUSGRRLSA-N 1 0 403.541 6.152 40 0 HKABRO Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000005105030 557636770 /nfs/dbraw/zinc/63/67/70/557636770.db2.gz YRQYUGOENIATHT-VSGBNLITSA-N 1 0 409.577 6.252 40 0 HKABRO Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000005105031 557636741 /nfs/dbraw/zinc/63/67/41/557636741.db2.gz YRQYUGOENIATHT-IZLXSDGUSA-N 1 0 409.577 6.252 40 0 HKABRO Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000005105032 557636821 /nfs/dbraw/zinc/63/68/21/557636821.db2.gz YRQYUGOENIATHT-WUFINQPMSA-N 1 0 409.577 6.252 40 0 HKABRO Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000005105033 557636809 /nfs/dbraw/zinc/63/68/09/557636809.db2.gz YRQYUGOENIATHT-NSOVKSMOSA-N 1 0 409.577 6.252 40 0 HKABRO C[N@H+](Cc1ccccc1)[C@H](c1ccccc1)[C@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000005105039 557636786 /nfs/dbraw/zinc/63/67/86/557636786.db2.gz PVLWQGZUFMCXRG-IZLXSDGUSA-N 1 0 423.556 5.157 40 0 HKABRO CCOc1ccc(N(C)c2ccc(/C=C/C3=[N+](C)c4ccccc4C3(C)C)cc2)cc1 ZINC000005139899 557637823 /nfs/dbraw/zinc/63/78/23/557637823.db2.gz HNYQMJCSFHEKEQ-UHFFFAOYSA-N 1 0 411.569 6.573 40 0 HKABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000005163662 568441917 /nfs/dbraw/zinc/44/19/17/568441917.db2.gz WHZYEDGTWVFQTK-QDSKXPNFSA-N 1 0 415.961 5.226 40 0 HKABRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1COC(=O)c1cccc(Br)c1 ZINC000005187379 557639098 /nfs/dbraw/zinc/63/90/98/557639098.db2.gz TUKLUQBCQLQCTC-MRXNPFEDSA-N 1 0 402.332 5.181 40 0 HKABRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1COC(=O)c1ccc(Br)cc1 ZINC000005187386 557639162 /nfs/dbraw/zinc/63/91/62/557639162.db2.gz HZTXHBKYGFJITQ-MRXNPFEDSA-N 1 0 402.332 5.181 40 0 HKABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1OC ZINC000005215228 568442569 /nfs/dbraw/zinc/44/25/69/568442569.db2.gz SCUTXQRXFFYAIA-YGOYIFOWSA-N 1 0 415.961 5.226 40 0 HKABRO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c1 ZINC000005217035 568442800 /nfs/dbraw/zinc/44/28/00/568442800.db2.gz GLHGQZPOQWRWTJ-OYDLWJJNSA-N 1 0 415.961 5.226 40 0 HKABRO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)c1 ZINC000005217038 568442773 /nfs/dbraw/zinc/44/27/73/568442773.db2.gz GLHGQZPOQWRWTJ-QDSKXPNFSA-N 1 0 415.961 5.226 40 0 HKABRO CC(C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1cc(Cl)ccc1Cl ZINC000005285147 568443022 /nfs/dbraw/zinc/44/30/22/568443022.db2.gz WIGHCHCHGUTRNA-UHFFFAOYSA-N 1 0 419.375 7.863 40 0 HKABRO CCCC[n+]1c2c(c(-c3ccccc3)c3c1-c1ccccc1CC3)CCc1ccccc1-2 ZINC000005310299 568443142 /nfs/dbraw/zinc/44/31/42/568443142.db2.gz JKAIELNWUXQYIZ-UHFFFAOYSA-N 1 0 416.588 6.972 40 0 HKABRO COc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000005360698 557646960 /nfs/dbraw/zinc/64/69/60/557646960.db2.gz KCMOVBPDRGDKSU-UHFFFAOYSA-N 1 0 414.528 6.973 40 0 HKABRO CCc1ccc(C[C@@]2(C)[NH2+][C@@H](c3ccccc3)C(CC)=C[C@H]2[C@H](O)CC(C)C)nc1 ZINC000005389725 557650095 /nfs/dbraw/zinc/65/00/95/557650095.db2.gz JPFMXPYYRABPJC-FICKONGGSA-N 1 0 406.614 5.649 40 0 HKABRO CCc1ccc(C[C@]2(C)[NH2+][C@@H](c3ccccc3)C(CC)=C[C@H]2[C@H](O)CC(C)C)nc1 ZINC000005389726 557650168 /nfs/dbraw/zinc/65/01/68/557650168.db2.gz JPFMXPYYRABPJC-YAOOYPAMSA-N 1 0 406.614 5.649 40 0 HKABRO CCc1ccc(C[C@@]2(C)[NH2+][C@@H](c3ccccc3)C(CC)=C[C@@H]2[C@H](O)CC(C)C)nc1 ZINC000005389727 557650187 /nfs/dbraw/zinc/65/01/87/557650187.db2.gz JPFMXPYYRABPJC-FPCALVHFSA-N 1 0 406.614 5.649 40 0 HKABRO CCc1ccc(C[C@]2(C)[NH2+][C@@H](c3ccccc3)C(CC)=C[C@@H]2[C@H](O)CC(C)C)nc1 ZINC000005389728 557650143 /nfs/dbraw/zinc/65/01/43/557650143.db2.gz JPFMXPYYRABPJC-CWTOASCOSA-N 1 0 406.614 5.649 40 0 HKABRO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2)C1 ZINC000005410957 291298628 /nfs/dbraw/zinc/29/86/28/291298628.db2.gz JTSGXIFKJJZMBW-PZJWPPBQSA-N 1 0 412.558 5.349 40 0 biogenic,in-vitro HKABRO Cc1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccc(C)cc3)c3c2CCCC3)cc1 ZINC000005414169 568443409 /nfs/dbraw/zinc/44/34/09/568443409.db2.gz LPOWUEIHZRPHNH-UHFFFAOYSA-N 1 0 404.577 6.852 40 0 HKABRO Cc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)c3c2-c2ccccc2CC3)cc1 ZINC000005416860 568443374 /nfs/dbraw/zinc/44/33/74/568443374.db2.gz IXOAWACJVUXIDG-UHFFFAOYSA-N 1 0 424.567 7.371 40 0 HKABRO Cc1nnc(C(CC[NH+]2CC3CCC(CC3)C2)(c2ccccc2)c2ccccc2)o1 ZINC000005432906 557653334 /nfs/dbraw/zinc/65/33/34/557653334.db2.gz HQSGXYWMLDKYLR-UHFFFAOYSA-N 1 0 401.554 5.225 40 0 HKABRO O=c1ccc(/C=C/c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000005439832 291298856 /nfs/dbraw/zinc/29/88/56/291298856.db2.gz MZDVZANXHUVURQ-CBRVVIGPSA-N 1 0 422.981 5.353 40 0 biogenic,in-vitro HKABRO CC[NH+](CC)CCn1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1=O ZINC000005469632 557655541 /nfs/dbraw/zinc/65/55/41/557655541.db2.gz UVSNKXZVBZELCG-UHFFFAOYSA-N 1 0 423.560 5.586 40 0 HKABRO [O-][n+]1cccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1 ZINC000005490552 568445490 /nfs/dbraw/zinc/44/54/90/568445490.db2.gz IZCMVYKQACKBRY-UHFFFAOYSA-N 1 0 415.516 5.657 40 0 HKABRO CCC[NH+](CCC)C[C@@H](O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000005499311 557658210 /nfs/dbraw/zinc/65/82/10/557658210.db2.gz KKMSOYXAWZGFCG-JOCHJYFZSA-N 1 0 417.380 6.364 40 0 HKABRO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1Sc1ccc(Cl)cc1 ZINC000005551270 557660863 /nfs/dbraw/zinc/66/08/63/557660863.db2.gz ASBAZZCYURIEJD-CQSZACIVSA-N 1 0 401.963 5.587 40 0 HKABRO CCCC[NH+](CCCC)CCCN[C@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000005551680 557660913 /nfs/dbraw/zinc/66/09/13/557660913.db2.gz MGPDEDSLLJBNBZ-RUZDIDTESA-N 1 0 417.037 6.320 40 0 HKABRO CC[NH+](CC)CCC[C@@H](C)Nc1ncnc(Cl)c1C(=C(C)C)c1ccccc1 ZINC000005561590 557662217 /nfs/dbraw/zinc/66/22/17/557662217.db2.gz OPPIXXYSSVPYDH-GOSISDBHSA-N 1 0 400.998 5.894 40 0 HKABRO CC[NH+](CC)CCOc1ccc([C@@](O)(Cc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000005572890 557662605 /nfs/dbraw/zinc/66/26/05/557662605.db2.gz JGLROVOJKXIJKB-AREMUKBSSA-N 1 0 423.984 5.539 40 0 in-vitro HKABRO Cc1ccc2[nH]c(C3CC[NH+](CC(=O)N(c4ccccc4)c4ccccc4)CC3)nc2c1 ZINC000005626050 560627985 /nfs/dbraw/zinc/62/79/85/560627985.db2.gz OKPHGLOVVIPOCR-UHFFFAOYSA-N 1 0 424.548 5.416 40 0 HKABRO CC[NH+](CC)Cc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000005643925 557666144 /nfs/dbraw/zinc/66/61/44/557666144.db2.gz ITRTWVWKNCVVEX-DHZHZOJOSA-N 1 0 407.341 5.496 40 0 HKABRO C[C@H]([NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000005662444 557667222 /nfs/dbraw/zinc/66/72/22/557667222.db2.gz JCUOIPAVBKYKBI-REZYEQBDSA-N 1 0 410.001 6.614 40 0 HKABRO CCc1cc([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677863 569255884 /nfs/dbraw/zinc/25/58/84/569255884.db2.gz OJYZXJNNLNKVIL-HSZRJFAPSA-N 1 0 422.569 6.277 40 0 HKABRO CCc1cc([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677865 569255889 /nfs/dbraw/zinc/25/58/89/569255889.db2.gz LDLNVECTOLWOHN-HSZRJFAPSA-N 1 0 422.569 6.277 40 0 HKABRO CCc1cc([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677872 569255894 /nfs/dbraw/zinc/25/58/94/569255894.db2.gz OJYZXJNNLNKVIL-QHCPKHFHSA-N 1 0 422.569 6.277 40 0 HKABRO CCc1cc([C@H](c2cccc(F)c2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677877 569255923 /nfs/dbraw/zinc/25/59/23/569255923.db2.gz LDLNVECTOLWOHN-QHCPKHFHSA-N 1 0 422.569 6.277 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000005721686 569255900 /nfs/dbraw/zinc/25/59/00/569255900.db2.gz NXWSVJRTUXXYND-QFIPXVFZSA-N 1 0 408.542 5.942 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000005721693 569255898 /nfs/dbraw/zinc/25/58/98/569255898.db2.gz OFCOARSTFHNNCU-QFIPXVFZSA-N 1 0 424.635 6.500 40 0 HKABRO C[C@H]([NH2+]Cc1ccccc1OCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005721713 557670597 /nfs/dbraw/zinc/67/05/97/557670597.db2.gz KZGQAIGBCVSILJ-FJDLLSKQSA-N 1 0 410.001 6.614 40 0 HKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758829 560738540 /nfs/dbraw/zinc/73/85/40/560738540.db2.gz WLHQSAYHIOPMMJ-RVOWOUOISA-N 1 0 401.679 6.326 40 0 in-vitro HKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H]([NH3+])C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758831 560738539 /nfs/dbraw/zinc/73/85/39/560738539.db2.gz WLHQSAYHIOPMMJ-KGZHIOMZSA-N 1 0 401.679 6.326 40 0 in-vitro HKABRO CCCCCC[C@@H](C)CCCCCCCC[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000005837489 557676811 /nfs/dbraw/zinc/67/68/11/557676811.db2.gz JDKRQCLYDUOXNT-JOCHJYFZSA-N 1 0 404.639 6.352 40 0 HKABRO CCCCC[NH+](CCCCC)C[C@](C)(O)CNc1cc(OC)cc2cccnc21 ZINC000005837622 557676826 /nfs/dbraw/zinc/67/68/26/557676826.db2.gz RKPZRAIHEWIFKA-XMMPIXPASA-N 1 0 401.595 5.089 40 0 HKABRO CCC[NH+](CCC)C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000005838709 557677097 /nfs/dbraw/zinc/67/70/97/557677097.db2.gz GQVYZGLHUGDJLC-OAHLLOKOSA-N 1 0 408.386 5.428 40 0 HKABRO CC[NH+](CC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 ZINC000005840057 557677117 /nfs/dbraw/zinc/67/71/17/557677117.db2.gz KGMPJLMGMLUCPH-OAQYLSRUSA-N 1 0 403.353 5.892 40 0 HKABRO O[C@H](C[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000005933450 557681406 /nfs/dbraw/zinc/68/14/06/557681406.db2.gz XQRAFDCEKRYLLH-JOCHJYFZSA-N 1 0 401.337 5.728 40 0 HKABRO CC(C)CCC[NH+](CCCC(C)C)C[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000005962578 557682774 /nfs/dbraw/zinc/68/27/74/557682774.db2.gz CMRXWGIWQNOVPL-MUUNZHRXSA-N 1 0 409.658 6.926 40 0 HKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000005973025 557682996 /nfs/dbraw/zinc/68/29/96/557682996.db2.gz VNEARXBVTVNPAZ-MUUNZHRXSA-N 1 0 409.658 7.215 40 0 HKABRO CCCCC[NH+](CCCCC)C[C@H](OC(C)=O)c1cc2c(c3ccccc31)CCCC2 ZINC000005973196 557682977 /nfs/dbraw/zinc/68/29/77/557682977.db2.gz DPKDGTMNCRDACZ-NDEPHWFRSA-N 1 0 423.641 7.005 40 0 HKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1cc2c(c3ccc(Cl)cc31)CCCC2 ZINC000005973202 557682955 /nfs/dbraw/zinc/68/29/55/557682955.db2.gz MCZIZKWZMRJYDP-AREMUKBSSA-N 1 0 416.049 7.088 40 0 HKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1ccc(I)cc1 ZINC000005973207 557682967 /nfs/dbraw/zinc/68/29/67/557682967.db2.gz BKUWTUNGQXZEAV-GOSISDBHSA-N 1 0 403.348 5.007 40 0 HKABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000005973421 557683212 /nfs/dbraw/zinc/68/32/12/557683212.db2.gz HUWMYWKVOFMCHZ-QFIPXVFZSA-N 1 0 404.392 6.052 40 0 HKABRO CCCC[NH+](CCCC)C[C@H](CN(CC)CC)N(CC)C(=O)Nc1ccccc1 ZINC000005973424 557683144 /nfs/dbraw/zinc/68/31/44/557683144.db2.gz JUAKBZVJVLEKKL-QHCPKHFHSA-N 1 0 404.643 5.153 40 0 HKABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(OCc2ccccc2)c2ccccc21 ZINC000005973438 557683218 /nfs/dbraw/zinc/68/32/18/557683218.db2.gz JWDBUSDBDUZDTQ-AREMUKBSSA-N 1 0 405.582 6.354 40 0 HKABRO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c1C ZINC000006009401 557684181 /nfs/dbraw/zinc/68/41/81/557684181.db2.gz MPKCGNOAURBGRB-QHCPKHFHSA-N 1 0 422.594 6.340 40 0 HKABRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000006044516 560739402 /nfs/dbraw/zinc/73/94/02/560739402.db2.gz XTLDSEPOMUQSED-UHFFFAOYSA-N 1 0 419.956 5.223 40 0 HKABRO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c1C ZINC000006054038 557685483 /nfs/dbraw/zinc/68/54/83/557685483.db2.gz MPKCGNOAURBGRB-HSZRJFAPSA-N 1 0 422.594 6.340 40 0 HKABRO C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000006175364 557692830 /nfs/dbraw/zinc/69/28/30/557692830.db2.gz BTTYENKYJUWTRW-ABVOBTCJSA-N 1 0 410.001 6.614 40 0 HKABRO C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000006176144 557692812 /nfs/dbraw/zinc/69/28/12/557692812.db2.gz BTTYENKYJUWTRW-DKERFCRFSA-N 1 0 410.001 6.614 40 0 HKABRO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000006232962 569258277 /nfs/dbraw/zinc/25/82/77/569258277.db2.gz YYGNBTJSRMPPEE-UHFFFAOYSA-N 1 0 418.606 6.072 40 0 HKABRO Cc1cc(C)c(-n2cccc2C[NH2+]CCOC2c3ccccc3-c3ccccc32)c(C)c1 ZINC000006370495 557700312 /nfs/dbraw/zinc/70/03/12/557700312.db2.gz BDMRUVTUSSWRPN-UHFFFAOYSA-N 1 0 422.572 6.279 40 0 HKABRO CC[NH+](CC)CCN(C(=O)C1c2ccccc2Oc2ccccc21)C1CCCCC1 ZINC000006382170 557700772 /nfs/dbraw/zinc/70/07/72/557700772.db2.gz WCYFVRVRYZBVMZ-UHFFFAOYSA-N 1 0 406.570 5.427 40 0 HKABRO CCCC[NH+](CCCC)C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006397497 557701325 /nfs/dbraw/zinc/70/13/25/557701325.db2.gz VXIRFPQWZYNSIO-FAYCDVIOSA-N 1 0 413.646 5.796 40 0 HKABRO CCCC[NH+](CCCC)C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006397501 557701377 /nfs/dbraw/zinc/70/13/77/557701377.db2.gz VXIRFPQWZYNSIO-NZHMSBQYSA-N 1 0 413.646 5.796 40 0 HKABRO COc1cccc2c1c(OC)cc(C)c2-c1c(O)cc(OC)c2c1C[C@@H](C)[NH2+][C@H]2C ZINC000006418967 291294166 /nfs/dbraw/zinc/29/41/66/291294166.db2.gz XUFOYASAFNKRRE-CABCVRRESA-N 1 0 407.510 5.142 40 0 biogenic,in-vitro HKABRO CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)ccc1O ZINC000006464521 568936672 /nfs/dbraw/zinc/93/66/72/568936672.db2.gz XGYONAAGJOZHRO-XYOPDGACSA-N 1 0 407.554 5.172 40 0 HKABRO CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)ccc1O ZINC000006464563 568936642 /nfs/dbraw/zinc/93/66/42/568936642.db2.gz XGYONAAGJOZHRO-YVMFTWTESA-N 1 0 407.554 5.172 40 0 HKABRO C[C@@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)[NH+](C1CCCC1)C1CCCC1 ZINC000006487229 557704994 /nfs/dbraw/zinc/70/49/94/557704994.db2.gz RQTDMICCMOXGPP-NRFANRHFSA-N 1 0 421.581 5.041 40 0 HKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000006548694 560744116 /nfs/dbraw/zinc/74/41/16/560744116.db2.gz KBLRRFQSUHQNAW-UHFFFAOYSA-N 1 0 415.562 5.076 40 0 HKABRO CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)ccc1O ZINC000006553786 568936880 /nfs/dbraw/zinc/93/68/80/568936880.db2.gz XGYONAAGJOZHRO-GXBHKBKGSA-N 1 0 407.554 5.172 40 0 HKABRO O[C@@](CC[NH+]1CC2CCC(CC2)C1)(c1ccccc1)c1ccc(Br)cc1 ZINC000006581986 557709159 /nfs/dbraw/zinc/70/91/59/557709159.db2.gz WFSFMHOXGCCDGJ-XWEVFREBSA-N 1 0 414.387 5.197 40 0 HKABRO CC[N@@H+]1CCC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC[C@H]12 ZINC000006594337 557709537 /nfs/dbraw/zinc/70/95/37/557709537.db2.gz GJKMOUKNSOUERC-NQYNQPTQSA-N 1 0 401.723 7.792 40 0 HKABRO CC[N@@H+]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC[C@H]12 ZINC000006594343 557709552 /nfs/dbraw/zinc/70/95/52/557709552.db2.gz GJKMOUKNSOUERC-BQSSYIGYSA-N 1 0 401.723 7.792 40 0 HKABRO CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Br ZINC000006595874 560745084 /nfs/dbraw/zinc/74/50/84/560745084.db2.gz BRXYLYOCERWMPD-UHFFFAOYSA-N 1 0 417.347 5.086 40 0 HKABRO O[C@H](C[NH+](C1CCCCC1)C1CCCCC1)c1ccnc2c(Cl)cc(Cl)cc12 ZINC000006599363 557709701 /nfs/dbraw/zinc/70/97/01/557709701.db2.gz AHFROPKVRDZVJZ-JOCHJYFZSA-N 1 0 421.412 6.542 40 0 HKABRO Oc1ccc(-c2ccc(-c3cc(Nc4ccc(C[NH2+]C5CC5)cc4)n[nH]3)cc2)c(O)c1 ZINC000006718826 557716947 /nfs/dbraw/zinc/71/69/47/557716947.db2.gz GRGYFHNWICGOLR-UHFFFAOYSA-N 1 0 412.493 5.151 40 0 in-vitro HKABRO CCCC[C@@H](CC)COC[C@@H](C)CO[C@H](COC[C@@H](CC)CCCC)C[NH+](C)C ZINC000006778652 560746416 /nfs/dbraw/zinc/74/64/16/560746416.db2.gz OXQSXJOQFXUCQG-NGSHPTGOSA-N 1 0 415.703 6.035 40 0 HKABRO CCCC[C@@H](CC)COC[C@H](C)CO[C@H](COC[C@@H](CC)CCCC)C[NH+](C)C ZINC000006778655 560746428 /nfs/dbraw/zinc/74/64/28/560746428.db2.gz OXQSXJOQFXUCQG-NDBXHCKUSA-N 1 0 415.703 6.035 40 0 HKABRO CCCC[C@H](CC)COC[C@@H](C)CO[C@H](COC[C@@H](CC)CCCC)C[NH+](C)C ZINC000006778717 560746376 /nfs/dbraw/zinc/74/63/76/560746376.db2.gz OXQSXJOQFXUCQG-ROHNOIKCSA-N 1 0 415.703 6.035 40 0 HKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000006857333 557727061 /nfs/dbraw/zinc/72/70/61/557727061.db2.gz FGJNKRCQNJVGOV-UHFFFAOYSA-N 1 0 410.001 7.377 40 0 HKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000006857336 557727100 /nfs/dbraw/zinc/72/71/00/557727100.db2.gz PCNBQSMGZWYEPN-UHFFFAOYSA-N 1 0 410.001 7.377 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000006857344 557727064 /nfs/dbraw/zinc/72/70/64/557727064.db2.gz JYZWNCSLKLMTQN-UHFFFAOYSA-N 1 0 424.412 6.885 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000006857345 557727073 /nfs/dbraw/zinc/72/70/73/557727073.db2.gz SBIRTGGQMGUGIN-UHFFFAOYSA-N 1 0 407.957 6.371 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000006857347 557727088 /nfs/dbraw/zinc/72/70/88/557727088.db2.gz OBZSQFDXTWTNKT-UHFFFAOYSA-N 1 0 424.412 6.885 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1F ZINC000006857348 557727058 /nfs/dbraw/zinc/72/70/58/557727058.db2.gz LSLGUFRVLQHKDD-UHFFFAOYSA-N 1 0 407.957 6.371 40 0 HKABRO COc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000006857351 560747552 /nfs/dbraw/zinc/74/75/52/560747552.db2.gz LQNJNIDYQHVJOK-UHFFFAOYSA-N 1 0 407.190 5.525 40 0 HKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000006857357 557727070 /nfs/dbraw/zinc/72/70/70/557727070.db2.gz MVTZQCAFLKPBAZ-UHFFFAOYSA-N 1 0 422.382 6.472 40 0 HKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000006857359 557727078 /nfs/dbraw/zinc/72/70/78/557727078.db2.gz QXLVAXWVWYWRRB-UHFFFAOYSA-N 1 0 404.392 6.333 40 0 HKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000006857362 557727034 /nfs/dbraw/zinc/72/70/34/557727034.db2.gz WKXLKNFUNSDINM-UHFFFAOYSA-N 1 0 422.382 6.472 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000006857368 557727077 /nfs/dbraw/zinc/72/70/77/557727077.db2.gz DPZWOJIIRDGOJU-UHFFFAOYSA-N 1 0 424.412 6.885 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1c(F)cccc1Cl ZINC000006857369 557727081 /nfs/dbraw/zinc/72/70/81/557727081.db2.gz QAYZKCNYSPALAW-UHFFFAOYSA-N 1 0 407.957 6.371 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000006857370 557727042 /nfs/dbraw/zinc/72/70/42/557727042.db2.gz KUHPYLHUYSYJOH-UHFFFAOYSA-N 1 0 424.412 6.885 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000006857373 557727097 /nfs/dbraw/zinc/72/70/97/557727097.db2.gz QUNMCBASUBPGKM-UHFFFAOYSA-N 1 0 424.412 6.885 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000006857374 557727108 /nfs/dbraw/zinc/72/71/08/557727108.db2.gz XPKGPFRYHBMYMQ-UHFFFAOYSA-N 1 0 407.957 6.371 40 0 HKABRO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000006857428 557727114 /nfs/dbraw/zinc/72/71/14/557727114.db2.gz BFWJXNSVQDLSKZ-UHFFFAOYSA-N 1 0 424.412 6.885 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000006859289 560747576 /nfs/dbraw/zinc/74/75/76/560747576.db2.gz FSWLZXKBQQCLLV-UHFFFAOYSA-N 1 0 407.352 5.102 40 0 HKABRO CC[NH+](CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000006869534 557727671 /nfs/dbraw/zinc/72/76/71/557727671.db2.gz MOJBANIJPLCCIA-UHFFFAOYSA-N 1 0 419.960 5.495 40 0 HKABRO CC[NH+](CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000006869545 557727731 /nfs/dbraw/zinc/72/77/31/557727731.db2.gz VSXXOHYRFHCEOQ-UHFFFAOYSA-N 1 0 419.960 5.495 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000006870232 557727630 /nfs/dbraw/zinc/72/76/30/557727630.db2.gz ZZWVNLOOABHVFX-UHFFFAOYSA-N 1 0 417.336 5.656 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccccc1F ZINC000006870237 557727659 /nfs/dbraw/zinc/72/76/59/557727659.db2.gz QSJJWUOTIXVOJD-UHFFFAOYSA-N 1 0 400.881 5.142 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl ZINC000006870257 557727679 /nfs/dbraw/zinc/72/76/79/557727679.db2.gz HYOGFXBZFOBJND-UHFFFAOYSA-N 1 0 417.336 5.656 40 0 HKABRO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000006870258 557727740 /nfs/dbraw/zinc/72/77/40/557727740.db2.gz DORZBHLXBJGPBQ-UHFFFAOYSA-N 1 0 417.336 5.656 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000006870259 557727688 /nfs/dbraw/zinc/72/76/88/557727688.db2.gz AQIJDYMAHXLOBW-UHFFFAOYSA-N 1 0 417.336 5.656 40 0 HKABRO CCOc1ccc(C(=O)CN(c2cccc(C(F)(F)F)c2)C2=NCCCCC2)cc1 ZINC000006870322 568462926 /nfs/dbraw/zinc/46/29/26/568462926.db2.gz DGGGVFASOSCWFS-UHFFFAOYSA-N 1 0 418.459 5.766 40 0 HKABRO CCOc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCCC2)cc1 ZINC000006870362 568462955 /nfs/dbraw/zinc/46/29/55/568462955.db2.gz DKWOBHMCDDDEJI-UHFFFAOYSA-N 1 0 416.468 5.349 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000006882501 560747752 /nfs/dbraw/zinc/74/77/52/560747752.db2.gz KKZVBPNTJDNEFW-UHFFFAOYSA-N 1 0 412.755 5.578 40 0 HKABRO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000006882511 560747784 /nfs/dbraw/zinc/74/77/84/560747784.db2.gz PZARGPKXNZBVBS-UHFFFAOYSA-N 1 0 402.749 6.123 40 0 HKABRO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000006882528 560747743 /nfs/dbraw/zinc/74/77/43/560747743.db2.gz ODBQUJCEJBONDR-UHFFFAOYSA-N 1 0 417.174 6.223 40 0 HKABRO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000006883532 560747781 /nfs/dbraw/zinc/74/77/81/560747781.db2.gz DHIUOEREWQJSCO-UHFFFAOYSA-N 1 0 412.755 5.436 40 0 HKABRO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000006883537 560747730 /nfs/dbraw/zinc/74/77/30/560747730.db2.gz YKHXFGFFPMURJY-UHFFFAOYSA-N 1 0 412.755 5.436 40 0 HKABRO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000006883541 560747783 /nfs/dbraw/zinc/74/77/83/560747783.db2.gz XTCWOHXJKSKUCT-UHFFFAOYSA-N 1 0 402.749 5.980 40 0 HKABRO CC(C)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000006883558 560747718 /nfs/dbraw/zinc/74/77/18/560747718.db2.gz APNGSYDCWVUVFJ-UHFFFAOYSA-N 1 0 417.174 6.081 40 0 HKABRO O=C(Nc1cccc2ccccc21)N1CC[NH+](CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000006942684 557730858 /nfs/dbraw/zinc/73/08/58/557730858.db2.gz OSMQYAWEWUNFQV-UHFFFAOYSA-N 1 0 403.570 5.206 40 0 HKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000006949759 560746970 /nfs/dbraw/zinc/74/69/70/560746970.db2.gz BKDYOIVIWAIPKJ-UHFFFAOYSA-N 1 0 417.336 6.348 40 0 HKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000006949768 557731231 /nfs/dbraw/zinc/73/12/31/557731231.db2.gz ADJIJRNWIGDLSE-UHFFFAOYSA-N 1 0 411.343 5.696 40 0 HKABRO CCCCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000007260950 557738082 /nfs/dbraw/zinc/73/80/82/557738082.db2.gz IITBQIURTYQSKD-UHFFFAOYSA-N 1 0 416.392 7.396 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000007260961 557738076 /nfs/dbraw/zinc/73/80/76/557738076.db2.gz DRSDHWYVUVTVIA-UHFFFAOYSA-N 1 0 424.354 5.846 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000007260962 557737975 /nfs/dbraw/zinc/73/79/75/557737975.db2.gz NYOLZWJIHXBJOL-UHFFFAOYSA-N 1 0 406.364 5.707 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000007260963 557738062 /nfs/dbraw/zinc/73/80/62/557738062.db2.gz DMIMJOLDJLKSNK-UHFFFAOYSA-N 1 0 420.391 6.097 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000007260964 557737990 /nfs/dbraw/zinc/73/79/90/557737990.db2.gz FVOKBEVAKJVTHM-UHFFFAOYSA-N 1 0 424.354 5.846 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000007260973 557738040 /nfs/dbraw/zinc/73/80/40/557738040.db2.gz VTHGWSIDRFIIDW-UHFFFAOYSA-N 1 0 410.385 6.641 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000007260979 557738229 /nfs/dbraw/zinc/73/82/29/557738229.db2.gz ILEYCKYYXNXVPN-UHFFFAOYSA-N 1 0 410.385 6.641 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000007260991 557738238 /nfs/dbraw/zinc/73/82/38/557738238.db2.gz VKFRFMCHEPTEKM-UHFFFAOYSA-N 1 0 410.783 6.351 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000007260995 557738220 /nfs/dbraw/zinc/73/82/20/557738220.db2.gz PTTPKTSKDDCBQN-UHFFFAOYSA-N 1 0 400.777 6.896 40 0 HKABRO CCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000007260998 557738198 /nfs/dbraw/zinc/73/81/98/557738198.db2.gz JNRNAIZTUNHIJF-UHFFFAOYSA-N 1 0 410.783 6.351 40 0 HKABRO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000007261028 557738176 /nfs/dbraw/zinc/73/81/76/557738176.db2.gz JFYMTECJRCGWSL-UHFFFAOYSA-N 1 0 410.385 6.641 40 0 HKABRO CCCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000007261217 557738171 /nfs/dbraw/zinc/73/81/71/557738171.db2.gz RSDWEJJDCHZHIY-UHFFFAOYSA-N 1 0 402.365 7.005 40 0 HKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000007261228 557738232 /nfs/dbraw/zinc/73/82/32/557738232.db2.gz MOAVOMRYNJZURA-UHFFFAOYSA-N 1 0 410.327 5.456 40 0 HKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000007261229 557738189 /nfs/dbraw/zinc/73/81/89/557738189.db2.gz AHWWYOQSCVRYCO-UHFFFAOYSA-N 1 0 424.354 5.846 40 0 HKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000007261231 557738263 /nfs/dbraw/zinc/73/82/63/557738263.db2.gz FJSNGDGMFNLVKW-UHFFFAOYSA-N 1 0 406.364 5.707 40 0 HKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000007261232 557738194 /nfs/dbraw/zinc/73/81/94/557738194.db2.gz DYUCTGRODSRUKF-UHFFFAOYSA-N 1 0 410.327 5.456 40 0 HKABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000007261233 557738244 /nfs/dbraw/zinc/73/82/44/557738244.db2.gz BWCMKVQVFMJSME-UHFFFAOYSA-N 1 0 424.354 5.846 40 0 HKABRO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000007261244 557738265 /nfs/dbraw/zinc/73/82/65/557738265.db2.gz OYBHRWRLTMNCHH-UHFFFAOYSA-N 1 0 416.776 6.514 40 0 HKABRO CCCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000007261624 557738261 /nfs/dbraw/zinc/73/82/61/557738261.db2.gz WLDGLRUYUYYQFO-UHFFFAOYSA-N 1 0 412.755 5.580 40 0 HKABRO CCCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000007261625 557738166 /nfs/dbraw/zinc/73/81/66/557738166.db2.gz FTPSNZOHMSPWMQ-UHFFFAOYSA-N 1 0 410.327 5.456 40 0 HKABRO CCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000007261628 557738192 /nfs/dbraw/zinc/73/81/92/557738192.db2.gz YMQRWQXHDDJTEI-UHFFFAOYSA-N 1 0 412.755 5.580 40 0 HKABRO CCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000007261630 557738186 /nfs/dbraw/zinc/73/81/86/557738186.db2.gz SRCRPSOLBQEJDE-UHFFFAOYSA-N 1 0 410.327 5.456 40 0 HKABRO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000007261638 557738209 /nfs/dbraw/zinc/73/82/09/557738209.db2.gz GYVNZIJFHOCILI-UHFFFAOYSA-N 1 0 402.749 6.124 40 0 HKABRO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000007261639 557738218 /nfs/dbraw/zinc/73/82/18/557738218.db2.gz OPWGDDKTIFAXFD-UHFFFAOYSA-N 1 0 416.776 6.514 40 0 HKABRO CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000007261660 557738212 /nfs/dbraw/zinc/73/82/12/557738212.db2.gz MRGMLFDWKUYHEE-UHFFFAOYSA-N 1 0 417.174 6.225 40 0 HKABRO CCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000007262305 560750134 /nfs/dbraw/zinc/75/01/34/560750134.db2.gz IHLRKGQQPWMMGF-UHFFFAOYSA-N 1 0 412.755 5.580 40 0 HKABRO CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000007262311 560750157 /nfs/dbraw/zinc/75/01/57/560750157.db2.gz RECCREUKZOHLGN-UHFFFAOYSA-N 1 0 412.755 5.580 40 0 HKABRO CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000007262324 557738254 /nfs/dbraw/zinc/73/82/54/557738254.db2.gz USTXPEXNJIBUCU-UHFFFAOYSA-N 1 0 402.749 6.124 40 0 HKABRO CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000007262343 560750152 /nfs/dbraw/zinc/75/01/52/560750152.db2.gz ICNORSYFDQVSDV-UHFFFAOYSA-N 1 0 403.147 5.835 40 0 HKABRO COc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccccc1Cl ZINC000007274920 557738714 /nfs/dbraw/zinc/73/87/14/557738714.db2.gz GWKHMEPXMCHDNW-UHFFFAOYSA-N 1 0 403.309 5.266 40 0 HKABRO COc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccccc1Cl ZINC000007274922 557738638 /nfs/dbraw/zinc/73/86/38/557738638.db2.gz QRYIVWXDGBIOSQ-UHFFFAOYSA-N 1 0 403.309 5.266 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCc1cccnc1 ZINC000007274930 560750175 /nfs/dbraw/zinc/75/01/75/560750175.db2.gz ODWNYQPZYGKFNI-UHFFFAOYSA-N 1 0 419.363 5.244 40 0 HKABRO Cc1ccc2c(c1)c(-c1ccccc1)nn2CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000007498857 132324749 /nfs/dbraw/zinc/32/47/49/132324749.db2.gz ZENPHNPMTCAFIG-UHFFFAOYSA-N 1 0 424.592 5.614 40 0 HKABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)o2)cc1 ZINC000007519717 560751488 /nfs/dbraw/zinc/75/14/88/560751488.db2.gz FFLKSFCBEUDCRR-WNPZUFKQSA-N 1 0 407.554 5.962 40 0 HKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000007520643 557744809 /nfs/dbraw/zinc/74/48/09/557744809.db2.gz LCVWUOXBKNSBPS-UHFFFAOYSA-N 1 0 403.994 6.622 40 0 HKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccccc1Cl ZINC000007520655 557744779 /nfs/dbraw/zinc/74/47/79/557744779.db2.gz PDBVXWAGLQBWHA-UHFFFAOYSA-N 1 0 403.994 6.622 40 0 HKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1 ZINC000007520773 557744793 /nfs/dbraw/zinc/74/47/93/557744793.db2.gz SIBHELCOTVDBCY-UHFFFAOYSA-N 1 0 403.994 6.622 40 0 HKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000007520798 557744812 /nfs/dbraw/zinc/74/48/12/557744812.db2.gz NFOZLSBCRVWPSN-UHFFFAOYSA-N 1 0 421.984 6.761 40 0 HKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1F ZINC000007520844 557744682 /nfs/dbraw/zinc/74/46/82/557744682.db2.gz QBBHHMGEBBSAIV-UHFFFAOYSA-N 1 0 421.984 6.761 40 0 HKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000007521609 560751431 /nfs/dbraw/zinc/75/14/31/560751431.db2.gz NAMWICCWKPUOEZ-UHFFFAOYSA-N 1 0 421.217 5.915 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000007522449 557744754 /nfs/dbraw/zinc/74/47/54/557744754.db2.gz KKJBICXVBMEKMB-UHFFFAOYSA-N 1 0 422.396 6.784 40 0 HKABRO COc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccc(Cl)cc1Cl ZINC000007522601 557744732 /nfs/dbraw/zinc/74/47/32/557744732.db2.gz LAZRQQWVFYAIMD-UHFFFAOYSA-N 1 0 422.396 6.784 40 0 HKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCCC2)cc1 ZINC000007522673 557744762 /nfs/dbraw/zinc/74/47/62/557744762.db2.gz DRGPLNGLCIQXQO-UHFFFAOYSA-N 1 0 407.985 7.275 40 0 HKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 ZINC000007522711 557744744 /nfs/dbraw/zinc/74/47/44/557744744.db2.gz DECUYADEHXXUSG-UHFFFAOYSA-N 1 0 407.985 7.275 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000007523246 557744879 /nfs/dbraw/zinc/74/48/79/557744879.db2.gz HAXLYGUTNDQEBQ-UHFFFAOYSA-N 1 0 401.978 6.520 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccccc1Cl ZINC000007523288 557744893 /nfs/dbraw/zinc/74/48/93/557744893.db2.gz LVSLWGQPPPIXJY-UHFFFAOYSA-N 1 0 401.978 6.520 40 0 HKABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]C2CCCCCCC2)c1 ZINC000007523326 557744870 /nfs/dbraw/zinc/74/48/70/557744870.db2.gz PBQFBLBEIPNSPC-UHFFFAOYSA-N 1 0 402.376 6.231 40 0 HKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCCCC2)cc1 ZINC000007523346 557744925 /nfs/dbraw/zinc/74/49/25/557744925.db2.gz LNUHHJOHVFCNBX-UHFFFAOYSA-N 1 0 420.366 6.370 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000007523358 557744895 /nfs/dbraw/zinc/74/48/95/557744895.db2.gz SXVPCVCXKSVQPN-UHFFFAOYSA-N 1 0 401.978 6.520 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000007523362 557744898 /nfs/dbraw/zinc/74/48/98/557744898.db2.gz NAZABQFUWHCJPK-UHFFFAOYSA-N 1 0 419.968 6.659 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccccc1F ZINC000007523366 557744918 /nfs/dbraw/zinc/74/49/18/557744918.db2.gz CHAWBIIOKNBZGT-UHFFFAOYSA-N 1 0 419.968 6.659 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007523373 557744892 /nfs/dbraw/zinc/74/48/92/557744892.db2.gz NNRLWKRREGBNGO-UHFFFAOYSA-N 1 0 422.396 6.784 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000007523377 557744890 /nfs/dbraw/zinc/74/48/90/557744890.db2.gz HBSIFIRPGATVNV-UHFFFAOYSA-N 1 0 405.941 6.269 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccccc1F ZINC000007523381 557744923 /nfs/dbraw/zinc/74/49/23/557744923.db2.gz FPSKCGBDLHRSIV-UHFFFAOYSA-N 1 0 405.941 6.269 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000007523512 557744896 /nfs/dbraw/zinc/74/48/96/557744896.db2.gz ATQKELWZKIHDLE-UHFFFAOYSA-N 1 0 422.396 6.784 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccc(F)cc1Cl ZINC000007523514 557744931 /nfs/dbraw/zinc/74/49/31/557744931.db2.gz HIGSFFNLBFYRJD-UHFFFAOYSA-N 1 0 405.941 6.269 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1c(F)cccc1Cl ZINC000007523518 557744884 /nfs/dbraw/zinc/74/48/84/557744884.db2.gz GUMWMSYWKRZRMG-UHFFFAOYSA-N 1 0 405.941 6.269 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000007523522 557744936 /nfs/dbraw/zinc/74/49/36/557744936.db2.gz ZWSNAKDQMCGFTK-UHFFFAOYSA-N 1 0 422.396 6.784 40 0 HKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCCCCC1 ZINC000007523542 560751441 /nfs/dbraw/zinc/75/14/41/560751441.db2.gz GSLAIICQVBFRQS-UHFFFAOYSA-N 1 0 419.201 5.813 40 0 HKABRO COc1c(Br)cc(Br)cc1C[NH2+]C1CCCCCCC1 ZINC000007523545 560751486 /nfs/dbraw/zinc/75/14/86/560751486.db2.gz LBKAZIZEKHSZLR-UHFFFAOYSA-N 1 0 405.174 5.423 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(Cl)cc1Cl ZINC000007523634 557744934 /nfs/dbraw/zinc/74/49/34/557744934.db2.gz QGMZSIZQNCXNDS-UHFFFAOYSA-N 1 0 406.309 5.854 40 0 HKABRO C[C@H]([NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524447 560751459 /nfs/dbraw/zinc/75/14/59/560751459.db2.gz HQALOAAXMIISOJ-NSDYXAQKSA-N 1 0 404.381 6.948 40 0 HKABRO C[C@@H]([NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524450 560751460 /nfs/dbraw/zinc/75/14/60/560751460.db2.gz HQALOAAXMIISOJ-KWJFTMPMSA-N 1 0 404.381 6.948 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4ccc(-c5cc(Cl)ccc5Cl)o4)(C1)C[C@@](C)(C3)C2 ZINC000007524462 557744929 /nfs/dbraw/zinc/74/49/29/557744929.db2.gz LENYWLFHHLGXLO-TURSSXEVSA-N 1 0 404.381 7.092 40 0 HKABRO C[C@H]([NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524667 560751430 /nfs/dbraw/zinc/75/14/30/560751430.db2.gz YDFGGRQTHPGSHO-NSDYXAQKSA-N 1 0 404.381 6.948 40 0 HKABRO C[C@@H]([NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524670 560751462 /nfs/dbraw/zinc/75/14/62/560751462.db2.gz YDFGGRQTHPGSHO-KWJFTMPMSA-N 1 0 404.381 6.948 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4ccc(-c5cc(Cl)cc(Cl)c5)o4)(C1)C[C@@](C)(C3)C2 ZINC000007524678 557744899 /nfs/dbraw/zinc/74/48/99/557744899.db2.gz XVPHWUUEUPFOJV-TURSSXEVSA-N 1 0 404.381 7.092 40 0 HKABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524878 560751493 /nfs/dbraw/zinc/75/14/93/560751493.db2.gz BIKWCARCGXVWJS-SCUMNGBJSA-N 1 0 414.387 6.404 40 0 HKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524880 560751438 /nfs/dbraw/zinc/75/14/38/560751438.db2.gz BIKWCARCGXVWJS-LRYXAPPNSA-N 1 0 414.387 6.404 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4ccc(-c5ccc(Br)cc5)o4)(C1)C[C@@](C)(C3)C2 ZINC000007524888 557744939 /nfs/dbraw/zinc/74/49/39/557744939.db2.gz QGRIQPCXRUYDPS-QLOAFGCXSA-N 1 0 414.387 6.548 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000007525184 557744904 /nfs/dbraw/zinc/74/49/04/557744904.db2.gz ZTOWRZXZFRZVHH-UHFFFAOYSA-N 1 0 416.348 6.179 40 0 HKABRO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000007525194 557744920 /nfs/dbraw/zinc/74/49/20/557744920.db2.gz AQEGKADEHCKGOH-UHFFFAOYSA-N 1 0 416.348 6.179 40 0 HKABRO Cc1ccc(C[NH2+]Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000007537827 557745635 /nfs/dbraw/zinc/74/56/35/557745635.db2.gz DGDNFASBSZYTKP-UHFFFAOYSA-N 1 0 401.937 6.670 40 0 HKABRO Cc1ccc(C[NH2+]Cc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000007537831 557745679 /nfs/dbraw/zinc/74/56/79/557745679.db2.gz FBLDFOCHEWNDPM-UHFFFAOYSA-N 1 0 401.937 6.670 40 0 HKABRO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000007537911 557745592 /nfs/dbraw/zinc/74/55/92/557745592.db2.gz DHZOBVOYLTXCQD-UHFFFAOYSA-N 1 0 414.318 5.765 40 0 HKABRO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000007537919 557745669 /nfs/dbraw/zinc/74/56/69/557745669.db2.gz BILPIMZANMIXTA-UHFFFAOYSA-N 1 0 414.318 5.765 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000007537939 557745687 /nfs/dbraw/zinc/74/56/87/557745687.db2.gz AHAIILZDHWZMLG-UHFFFAOYSA-N 1 0 413.920 6.055 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F ZINC000007537947 557745696 /nfs/dbraw/zinc/74/56/96/557745696.db2.gz BZBKQIXBSPSYFI-UHFFFAOYSA-N 1 0 413.920 6.055 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007537957 557745659 /nfs/dbraw/zinc/74/56/59/557745659.db2.gz NERDIVUYCDCDBK-UHFFFAOYSA-N 1 0 416.348 6.179 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000007537962 557745600 /nfs/dbraw/zinc/74/56/00/557745600.db2.gz JBFMRIVQOXXTKV-UHFFFAOYSA-N 1 0 416.348 6.179 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000007538120 557745617 /nfs/dbraw/zinc/74/56/17/557745617.db2.gz XKEVVCHIFVSIIA-UHFFFAOYSA-N 1 0 416.348 6.179 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000007538133 557745628 /nfs/dbraw/zinc/74/56/28/557745628.db2.gz PWGAVSSBYBCFSJ-UHFFFAOYSA-N 1 0 416.348 6.179 40 0 HKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000007538157 560751480 /nfs/dbraw/zinc/75/14/80/560751480.db2.gz QIBSKZYRENZNCJ-UHFFFAOYSA-N 1 0 413.153 5.209 40 0 HKABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000007538295 557745927 /nfs/dbraw/zinc/74/59/27/557745927.db2.gz OTRUXFQMFNXLKD-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1ccc(C[NH2+]Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000007538331 557745952 /nfs/dbraw/zinc/74/59/52/557745952.db2.gz RUNMVCCWWBNXMY-UHFFFAOYSA-N 1 0 417.936 6.371 40 0 HKABRO COc1ccc(C[NH2+]Cc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000007538335 557745902 /nfs/dbraw/zinc/74/59/02/557745902.db2.gz RKSTXGSOLYAVOU-UHFFFAOYSA-N 1 0 417.936 6.371 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000007538373 557745944 /nfs/dbraw/zinc/74/59/44/557745944.db2.gz OSMSXYCZRSVBAU-UHFFFAOYSA-N 1 0 411.929 5.616 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1ccccc1Cl ZINC000007538377 557745956 /nfs/dbraw/zinc/74/59/56/557745956.db2.gz VSLDZXMPPGJVRR-UHFFFAOYSA-N 1 0 411.929 5.616 40 0 HKABRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000007538387 557745908 /nfs/dbraw/zinc/74/59/08/557745908.db2.gz YAYQYCDKSJBBGJ-UHFFFAOYSA-N 1 0 412.327 5.327 40 0 HKABRO COc1ccc(C[NH2+]Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000007538401 557745869 /nfs/dbraw/zinc/74/58/69/557745869.db2.gz JOINVLGUABMWJP-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 ZINC000007538421 557745954 /nfs/dbraw/zinc/74/59/54/557745954.db2.gz CTGAVMOCCILPGV-UHFFFAOYSA-N 1 0 411.929 5.616 40 0 HKABRO COc1ccc(C[NH2+]Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000007538431 557745946 /nfs/dbraw/zinc/74/59/46/557745946.db2.gz JVKVCSIRSZRBTD-UHFFFAOYSA-N 1 0 415.892 5.365 40 0 HKABRO COc1ccc(C[NH2+]Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000007538440 557745887 /nfs/dbraw/zinc/74/58/87/557745887.db2.gz KBFOTZJPHQXELA-UHFFFAOYSA-N 1 0 415.892 5.365 40 0 HKABRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000007538455 557745950 /nfs/dbraw/zinc/74/59/50/557745950.db2.gz METCPXIEEOMIFP-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1ccc(C[NH2+]Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000007538487 557745920 /nfs/dbraw/zinc/74/59/20/557745920.db2.gz WLZKXOBKIBYXKH-UHFFFAOYSA-N 1 0 401.481 5.856 40 0 HKABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc(F)cc3Cl)c(OC)c2)cc1 ZINC000007538579 557745958 /nfs/dbraw/zinc/74/59/58/557745958.db2.gz IABMERLZXJZBMO-UHFFFAOYSA-N 1 0 415.892 5.365 40 0 HKABRO COc1ccc(C[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 ZINC000007538583 557745948 /nfs/dbraw/zinc/74/59/48/557745948.db2.gz GKNSOFRZKVURQK-UHFFFAOYSA-N 1 0 415.892 5.365 40 0 HKABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007538743 560751641 /nfs/dbraw/zinc/75/16/41/560751641.db2.gz SVMMIANTOXUSTL-NSDYXAQKSA-N 1 0 404.381 6.948 40 0 HKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007538748 560751581 /nfs/dbraw/zinc/75/15/81/560751581.db2.gz SVMMIANTOXUSTL-KWJFTMPMSA-N 1 0 404.381 6.948 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4ccc(-c5ccc(Cl)cc5Cl)o4)(C1)C[C@@](C)(C3)C2 ZINC000007538780 557745916 /nfs/dbraw/zinc/74/59/16/557745916.db2.gz ZQBVTANMNIGOLX-TURSSXEVSA-N 1 0 404.381 7.092 40 0 HKABRO CCOc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 ZINC000007539374 560751550 /nfs/dbraw/zinc/75/15/50/560751550.db2.gz QEYPVVCXWSTWJV-NVUQSHBQSA-N 1 0 419.609 6.359 40 0 HKABRO CCOc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 ZINC000007539379 560751604 /nfs/dbraw/zinc/75/16/04/560751604.db2.gz QEYPVVCXWSTWJV-JQBPUPGTSA-N 1 0 419.609 6.359 40 0 HKABRO CCOc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1OCc1ccccc1 ZINC000007539469 557746131 /nfs/dbraw/zinc/74/61/31/557746131.db2.gz ADPONBGUCHPPSH-UHFFFAOYSA-N 1 0 400.522 5.478 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1cccs1 ZINC000007539905 560751642 /nfs/dbraw/zinc/75/16/42/560751642.db2.gz NENXUDKTJOGROF-UHFFFAOYSA-N 1 0 417.914 5.008 40 0 HKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3cccs3)c(OC)c2)cc1 ZINC000007539927 560751559 /nfs/dbraw/zinc/75/15/59/560751559.db2.gz ZSLSJBJILAFNJG-UHFFFAOYSA-N 1 0 417.958 5.330 40 0 HKABRO COc1ccc(C[NH2+]Cc2cc(Cl)c(OCc3cccs3)c(OC)c2)cc1 ZINC000007540023 560751592 /nfs/dbraw/zinc/75/15/92/560751592.db2.gz OUTPUYGIWHDLMF-UHFFFAOYSA-N 1 0 403.931 5.288 40 0 HKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCCc1ccccc1 ZINC000007540041 557746068 /nfs/dbraw/zinc/74/60/68/557746068.db2.gz DBPOWTOIQGZGMO-VLTVRWITSA-N 1 0 419.609 6.155 40 0 HKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCCc1ccccc1 ZINC000007540195 557746149 /nfs/dbraw/zinc/74/61/49/557746149.db2.gz AHIIUHIDMPDKBC-UHFFFAOYSA-N 1 0 400.522 5.130 40 0 HKABRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000008143636 560206817 /nfs/dbraw/zinc/20/68/17/560206817.db2.gz XYNPYHXGMWJBLV-ARFBNMCRSA-N 1 0 415.662 5.367 40 0 in-vitro HKABRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000008143844 557773671 /nfs/dbraw/zinc/77/36/71/557773671.db2.gz KWVISVAMQJWJSZ-MEPOCMDBSA-N 1 0 413.646 5.287 40 0 endogenous,in-man HKABRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@H](C)C[NH2+]2 ZINC000008143848 560206827 /nfs/dbraw/zinc/20/68/27/560206827.db2.gz KWVISVAMQJWJSZ-INULWVDGSA-N 1 0 413.646 5.287 40 0 in-vitro HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[N@H+](C)[C@H](C)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008241200 557777472 /nfs/dbraw/zinc/77/74/72/557777472.db2.gz GWWAUGFEXKPHIM-GGILHQEUSA-N 1 0 401.723 7.790 40 0 HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[N@H+](C)[C@H](C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000008241230 557777440 /nfs/dbraw/zinc/77/74/40/557777440.db2.gz GWWAUGFEXKPHIM-OMEWTVFHSA-N 1 0 401.723 7.790 40 0 HKABRO C[C@@H]([NH2+]Cc1ccccc1OCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008243585 557777454 /nfs/dbraw/zinc/77/74/54/557777454.db2.gz KZGQAIGBCVSILJ-VIAIDJOKSA-N 1 0 410.001 6.614 40 0 HKABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000008253097 560753410 /nfs/dbraw/zinc/75/34/10/560753410.db2.gz AGILTDJDEVMECA-BALBBAFXSA-N 1 0 407.554 5.818 40 0 HKABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000008253098 560753431 /nfs/dbraw/zinc/75/34/31/560753431.db2.gz AGILTDJDEVMECA-ZFGQVMFLSA-N 1 0 407.554 5.818 40 0 HKABRO CCOCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008253124 557778073 /nfs/dbraw/zinc/77/80/73/557778073.db2.gz GRXCMZJMXXQUCZ-UHFFFAOYSA-N 1 0 418.364 6.242 40 0 HKABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000008253143 557778100 /nfs/dbraw/zinc/77/81/00/557778100.db2.gz ASIVVNMHDLIUIZ-UHFFFAOYSA-N 1 0 412.357 5.487 40 0 HKABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000008253149 557778056 /nfs/dbraw/zinc/77/80/56/557778056.db2.gz ZULOBRNXOUEWDZ-UHFFFAOYSA-N 1 0 412.357 5.487 40 0 HKABRO CCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008253158 557778059 /nfs/dbraw/zinc/77/80/59/557778059.db2.gz BITDNKKDBVQZNH-UHFFFAOYSA-N 1 0 412.755 5.198 40 0 HKABRO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008253161 557778090 /nfs/dbraw/zinc/77/80/90/557778090.db2.gz JGWHVUNYZAGMCH-UHFFFAOYSA-N 1 0 402.749 5.742 40 0 HKABRO CCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008253163 557778002 /nfs/dbraw/zinc/77/80/02/557778002.db2.gz OCMWWWJKCLZZAZ-UHFFFAOYSA-N 1 0 412.755 5.198 40 0 HKABRO CCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000008253184 557778093 /nfs/dbraw/zinc/77/80/93/557778093.db2.gz VOMPWRPDUANGQV-UHFFFAOYSA-N 1 0 412.357 5.487 40 0 HKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCCCC1 ZINC000008253304 560753401 /nfs/dbraw/zinc/75/34/01/560753401.db2.gz LKPIWOZPQFNAHM-UHFFFAOYSA-N 1 0 405.174 5.423 40 0 HKABRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000008253323 560753438 /nfs/dbraw/zinc/75/34/38/560753438.db2.gz XDNYLCKMTFWZDQ-LBPRGKRZSA-N 1 0 413.153 5.461 40 0 HKABRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000008253324 560753413 /nfs/dbraw/zinc/75/34/13/560753413.db2.gz XDNYLCKMTFWZDQ-GFCCVEGCSA-N 1 0 413.153 5.461 40 0 HKABRO CCOc1c(Br)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OC ZINC000008253330 557778023 /nfs/dbraw/zinc/77/80/23/557778023.db2.gz MSSZXJQOUAUFSX-NJMHRBNOSA-N 1 0 422.407 5.695 40 0 HKABRO CCOc1c(Br)cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008253360 560753419 /nfs/dbraw/zinc/75/34/19/560753419.db2.gz QBVCVWFHOCQEGA-HIGJEIRPSA-N 1 0 422.407 5.551 40 0 HKABRO CCOc1c(Br)cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008253362 560753435 /nfs/dbraw/zinc/75/34/35/560753435.db2.gz QBVCVWFHOCQEGA-XSXQVXRUSA-N 1 0 422.407 5.551 40 0 HKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OC ZINC000008253577 557778052 /nfs/dbraw/zinc/77/80/52/557778052.db2.gz XAHFCFQDSZVFTK-NJMHRBNOSA-N 1 0 422.407 5.695 40 0 HKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OC ZINC000008253631 560753402 /nfs/dbraw/zinc/75/34/02/560753402.db2.gz ORCXEIFHZYDRSE-HIGJEIRPSA-N 1 0 422.407 5.551 40 0 HKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OC ZINC000008253632 560753411 /nfs/dbraw/zinc/75/34/11/560753411.db2.gz ORCXEIFHZYDRSE-XSXQVXRUSA-N 1 0 422.407 5.551 40 0 HKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC ZINC000008253804 557778080 /nfs/dbraw/zinc/77/80/80/557778080.db2.gz KQMIYXKEZHZVIM-UHFFFAOYSA-N 1 0 408.380 5.305 40 0 HKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCC ZINC000008253806 557778043 /nfs/dbraw/zinc/77/80/43/557778043.db2.gz XAKSADRWZXMVDR-UHFFFAOYSA-N 1 0 408.380 5.161 40 0 HKABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Br)c1OCC ZINC000008253832 557778107 /nfs/dbraw/zinc/77/81/07/557778107.db2.gz BISWHEZJMHAJEI-UHFFFAOYSA-N 1 0 417.347 5.060 40 0 HKABRO CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008253935 560753436 /nfs/dbraw/zinc/75/34/36/560753436.db2.gz OVSXTWDZUCAUNE-UHFFFAOYSA-N 1 0 410.739 5.332 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253946 557778229 /nfs/dbraw/zinc/77/82/29/557778229.db2.gz AVLLRTRFWKTPAT-UHFFFAOYSA-N 1 0 408.369 6.393 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253948 557778339 /nfs/dbraw/zinc/77/83/39/557778339.db2.gz IUWODIYQMXTGBV-UHFFFAOYSA-N 1 0 422.396 6.784 40 0 HKABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000008253969 569061232 /nfs/dbraw/zinc/06/12/32/569061232.db2.gz GDAPBNUZHQYTSF-UHFFFAOYSA-N 1 0 410.327 5.454 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccc(F)cc1 ZINC000008253971 557778346 /nfs/dbraw/zinc/77/83/46/557778346.db2.gz OSRVTQMRZVDAKM-UHFFFAOYSA-N 1 0 422.338 5.598 40 0 HKABRO CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000008253973 569061203 /nfs/dbraw/zinc/06/12/03/569061203.db2.gz CSNCSGUYQPNMRA-UHFFFAOYSA-N 1 0 410.327 5.312 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008253989 557778225 /nfs/dbraw/zinc/77/82/25/557778225.db2.gz RSYFFXTVCPIADO-UHFFFAOYSA-N 1 0 405.941 6.269 40 0 HKABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008254020 557778329 /nfs/dbraw/zinc/77/83/29/557778329.db2.gz CGDDXSHIHLAUFY-UHFFFAOYSA-N 1 0 416.776 6.513 40 0 HKABRO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008254022 557778342 /nfs/dbraw/zinc/77/83/42/557778342.db2.gz BWBARGAJFGMDKN-UHFFFAOYSA-N 1 0 416.776 6.370 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccccc1 ZINC000008254041 557778214 /nfs/dbraw/zinc/77/82/14/557778214.db2.gz JLWMJPFDISBZFS-UHFFFAOYSA-N 1 0 418.375 5.849 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 ZINC000008254084 557778466 /nfs/dbraw/zinc/77/84/66/557778466.db2.gz HWGOJBNZUUCYSA-UHFFFAOYSA-N 1 0 416.348 6.261 40 0 HKABRO CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccccc1Cl ZINC000008254097 560753417 /nfs/dbraw/zinc/75/34/17/560753417.db2.gz ANLCHUZKLAWQNV-UHFFFAOYSA-N 1 0 410.739 5.332 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000008254107 557778516 /nfs/dbraw/zinc/77/85/16/557778516.db2.gz HRMHXWSAOCWKHO-UHFFFAOYSA-N 1 0 422.396 6.784 40 0 HKABRO CCOc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000008254111 557778531 /nfs/dbraw/zinc/77/85/31/557778531.db2.gz RRFQWKMXTXLJOZ-UHFFFAOYSA-N 1 0 411.373 5.012 40 0 HKABRO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000008254119 557778456 /nfs/dbraw/zinc/77/84/56/557778456.db2.gz MQGFISNQDVFCGX-KRWDZBQOSA-N 1 0 410.341 5.240 40 0 HKABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000008254122 557778524 /nfs/dbraw/zinc/77/85/24/557778524.db2.gz MQGFISNQDVFCGX-QGZVFWFLSA-N 1 0 410.341 5.240 40 0 HKABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccccc1F ZINC000008254128 569061199 /nfs/dbraw/zinc/06/11/99/569061199.db2.gz FLUIGUIGZSSRLI-UHFFFAOYSA-N 1 0 410.327 5.454 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccccc1F ZINC000008254131 557778461 /nfs/dbraw/zinc/77/84/61/557778461.db2.gz PWFWSHYDWRDHLI-UHFFFAOYSA-N 1 0 422.338 5.598 40 0 HKABRO CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccccc1F ZINC000008254133 569061227 /nfs/dbraw/zinc/06/12/27/569061227.db2.gz LTJKVNYLLQWJNI-UHFFFAOYSA-N 1 0 410.327 5.312 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccccc1F ZINC000008254152 557778504 /nfs/dbraw/zinc/77/85/04/557778504.db2.gz BPTCDAJHWHLKGE-UHFFFAOYSA-N 1 0 405.941 6.269 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000008254175 557778452 /nfs/dbraw/zinc/77/84/52/557778452.db2.gz BJWWKVIKZJRURO-UHFFFAOYSA-N 1 0 417.883 5.886 40 0 HKABRO CCOc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccccc1F ZINC000008254178 557778462 /nfs/dbraw/zinc/77/84/62/557778462.db2.gz NGDBEFDWVXLDJL-UHFFFAOYSA-N 1 0 405.922 5.808 40 0 HKABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008254180 557778520 /nfs/dbraw/zinc/77/85/20/557778520.db2.gz HNPCIYVMJDDHMJ-KRWDZBQOSA-N 1 0 413.920 6.308 40 0 HKABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008254181 557778495 /nfs/dbraw/zinc/77/84/95/557778495.db2.gz HNPCIYVMJDDHMJ-QGZVFWFLSA-N 1 0 413.920 6.308 40 0 HKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000008254531 557778477 /nfs/dbraw/zinc/77/84/77/557778477.db2.gz OSFURVFARSBYFU-UHFFFAOYSA-N 1 0 413.920 5.789 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008254546 557778739 /nfs/dbraw/zinc/77/87/39/557778739.db2.gz BQQJUONGOHBDAJ-UHFFFAOYSA-N 1 0 416.348 6.261 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254571 557778732 /nfs/dbraw/zinc/77/87/32/557778732.db2.gz LKVHYGDBCYRJAC-UHFFFAOYSA-N 1 0 408.369 6.393 40 0 HKABRO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254572 557778776 /nfs/dbraw/zinc/77/87/76/557778776.db2.gz FIEQZQMHOLPFCS-UHFFFAOYSA-N 1 0 422.396 6.784 40 0 HKABRO CCOc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254575 557778724 /nfs/dbraw/zinc/77/87/24/557778724.db2.gz CWAVLBFLBZAGAU-UHFFFAOYSA-N 1 0 411.373 5.012 40 0 HKABRO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254585 557778785 /nfs/dbraw/zinc/77/87/85/557778785.db2.gz JUGZWQXSLYITPV-SFHVURJKSA-N 1 0 410.341 5.240 40 0 HKABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254587 557778765 /nfs/dbraw/zinc/77/87/65/557778765.db2.gz JUGZWQXSLYITPV-GOSISDBHSA-N 1 0 410.341 5.240 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254589 557778664 /nfs/dbraw/zinc/77/86/64/557778664.db2.gz RMDWXJMSBBZAJV-UHFFFAOYSA-N 1 0 416.348 6.261 40 0 HKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1ccccc1 ZINC000008254608 557778746 /nfs/dbraw/zinc/77/87/46/557778746.db2.gz FYGAIERXFJJPPX-VLTVRWITSA-N 1 0 419.609 6.503 40 0 HKABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccccc1 ZINC000008254637 557778656 /nfs/dbraw/zinc/77/86/56/557778656.db2.gz XUDRYYLTCRZXCH-UHFFFAOYSA-N 1 0 400.522 5.478 40 0 HKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)ccc1OCc1ccccc1 ZINC000008254639 557778649 /nfs/dbraw/zinc/77/86/49/557778649.db2.gz YHSSQKSPBHDEMF-UHFFFAOYSA-N 1 0 421.537 5.014 40 0 HKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000008254695 557778678 /nfs/dbraw/zinc/77/86/78/557778678.db2.gz FYFZJRLGYUOIDX-UHFFFAOYSA-N 1 0 413.920 5.789 40 0 HKABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccccc1Cl ZINC000008254714 557778698 /nfs/dbraw/zinc/77/86/98/557778698.db2.gz UDPJJMMQAHUFNQ-UHFFFAOYSA-N 1 0 416.348 6.261 40 0 HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[N@H+](C)[C@@H](C)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008298453 557780426 /nfs/dbraw/zinc/78/04/26/557780426.db2.gz GWWAUGFEXKPHIM-VQPMQMTCSA-N 1 0 401.723 7.790 40 0 HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[N@H+](C)[C@@H](C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000008298476 557780382 /nfs/dbraw/zinc/78/03/82/557780382.db2.gz GWWAUGFEXKPHIM-LFTLWYAASA-N 1 0 401.723 7.790 40 0 HKABRO O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000008300317 291298640 /nfs/dbraw/zinc/29/86/40/291298640.db2.gz XRYVCGXZOGATIA-PKOBYXMFSA-N 1 0 414.480 5.020 40 0 biogenic,in-vitro HKABRO C[C@@H]([NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008306447 557780737 /nfs/dbraw/zinc/78/07/37/557780737.db2.gz JCUOIPAVBKYKBI-FNDIMGIGSA-N 1 0 410.001 6.614 40 0 HKABRO CCOc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OCc1ccccc1 ZINC000008325483 557781878 /nfs/dbraw/zinc/78/18/78/557781878.db2.gz ZGXWMDPUYCIHRU-PDGJQCAJSA-N 1 0 419.609 6.503 40 0 HKABRO CCOc1cccc(C[NH2+]CCc2ccc(OC)c(OC)c2)c1OCc1ccccc1 ZINC000008325506 557781847 /nfs/dbraw/zinc/78/18/47/557781847.db2.gz WTOLVJFEOJBDLN-UHFFFAOYSA-N 1 0 421.537 5.014 40 0 HKABRO CC[C@@H](C)[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008325883 557781857 /nfs/dbraw/zinc/78/18/57/557781857.db2.gz WROFIIVHURFSRP-CYBMUJFWSA-N 1 0 412.755 5.578 40 0 HKABRO CCOc1cc(C[NH2+][C@H](C)CC)cc(Br)c1OCc1ccc(F)cc1 ZINC000008325885 557781861 /nfs/dbraw/zinc/78/18/61/557781861.db2.gz WJPPKHQZUWHDLM-CQSZACIVSA-N 1 0 410.327 5.454 40 0 HKABRO CC[C@@H](C)[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008325889 557781855 /nfs/dbraw/zinc/78/18/55/557781855.db2.gz BZIMGZFOIAIMLP-CYBMUJFWSA-N 1 0 412.755 5.578 40 0 HKABRO CCOc1cc(C[NH2+][C@H](C)CC)cc(Br)c1OCc1ccccc1F ZINC000008325891 557781879 /nfs/dbraw/zinc/78/18/79/557781879.db2.gz SJXSMJZWTYFLGU-CQSZACIVSA-N 1 0 410.327 5.454 40 0 HKABRO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008325906 557781826 /nfs/dbraw/zinc/78/18/26/557781826.db2.gz ZNFFRGNCESJGAR-GFCCVEGCSA-N 1 0 402.749 6.123 40 0 HKABRO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008325907 557781782 /nfs/dbraw/zinc/78/17/82/557781782.db2.gz ZZXNWHRKLZSHCN-CYBMUJFWSA-N 1 0 416.776 6.513 40 0 HKABRO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008325932 557781835 /nfs/dbraw/zinc/78/18/35/557781835.db2.gz IFUAMXXDINVNMY-GFCCVEGCSA-N 1 0 417.174 6.223 40 0 HKABRO CC[C@@H](CO)[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008326249 557782022 /nfs/dbraw/zinc/78/20/22/557782022.db2.gz WNYKCEPNKUHBCX-SFHVURJKSA-N 1 0 404.337 5.586 40 0 HKABRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008326288 557781990 /nfs/dbraw/zinc/78/19/90/557781990.db2.gz NZRNNXWAZVGLGY-HNNXBMFYSA-N 1 0 418.748 5.095 40 0 HKABRO CC[C@H](C)[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008326638 557782048 /nfs/dbraw/zinc/78/20/48/557782048.db2.gz WROFIIVHURFSRP-ZDUSSCGKSA-N 1 0 412.755 5.578 40 0 HKABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OCc1ccc(F)cc1 ZINC000008326640 557781944 /nfs/dbraw/zinc/78/19/44/557781944.db2.gz WJPPKHQZUWHDLM-AWEZNQCLSA-N 1 0 410.327 5.454 40 0 HKABRO CC[C@H](C)[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008326644 557782098 /nfs/dbraw/zinc/78/20/98/557782098.db2.gz BZIMGZFOIAIMLP-ZDUSSCGKSA-N 1 0 412.755 5.578 40 0 HKABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OCc1ccccc1F ZINC000008326647 557782045 /nfs/dbraw/zinc/78/20/45/557782045.db2.gz SJXSMJZWTYFLGU-AWEZNQCLSA-N 1 0 410.327 5.454 40 0 HKABRO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008326663 557782059 /nfs/dbraw/zinc/78/20/59/557782059.db2.gz ZNFFRGNCESJGAR-LBPRGKRZSA-N 1 0 402.749 6.123 40 0 HKABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008326664 557782084 /nfs/dbraw/zinc/78/20/84/557782084.db2.gz ZZXNWHRKLZSHCN-ZDUSSCGKSA-N 1 0 416.776 6.513 40 0 HKABRO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008326692 557782092 /nfs/dbraw/zinc/78/20/92/557782092.db2.gz IFUAMXXDINVNMY-LBPRGKRZSA-N 1 0 417.174 6.223 40 0 HKABRO CC[C@H](CO)[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008326993 557782005 /nfs/dbraw/zinc/78/20/05/557782005.db2.gz WNYKCEPNKUHBCX-GOSISDBHSA-N 1 0 404.337 5.586 40 0 HKABRO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008327035 557781955 /nfs/dbraw/zinc/78/19/55/557781955.db2.gz NZRNNXWAZVGLGY-OAHLLOKOSA-N 1 0 418.748 5.095 40 0 HKABRO C[NH+](C)CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008373844 557784336 /nfs/dbraw/zinc/78/43/36/557784336.db2.gz XDJNTIIZUQEDHW-UHFFFAOYSA-N 1 0 401.765 5.267 40 0 HKABRO C[NH2+]CCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008376919 557784533 /nfs/dbraw/zinc/78/45/33/557784533.db2.gz RKKFPJKTEDRCAT-UHFFFAOYSA-N 1 0 403.353 5.425 40 0 HKABRO C[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008377324 560754533 /nfs/dbraw/zinc/75/45/33/560754533.db2.gz PSXQXNHZOFFQEO-UHFFFAOYSA-N 1 0 405.119 5.063 40 0 HKABRO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCC[NH+](C)C)cc1Cl ZINC000008412987 557787208 /nfs/dbraw/zinc/78/72/08/557787208.db2.gz NTMMRGFWDHNLOS-UHFFFAOYSA-N 1 0 405.933 5.023 40 0 HKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccncc2)c(Cl)c1 ZINC000008418061 557787427 /nfs/dbraw/zinc/78/74/27/557787427.db2.gz QKWSRUUFVYHBJD-UHFFFAOYSA-N 1 0 407.728 5.911 40 0 HKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccncc2)cc1 ZINC000008418811 557787412 /nfs/dbraw/zinc/78/74/12/557787412.db2.gz OMJRKAPRZGNSCG-UHFFFAOYSA-N 1 0 417.734 5.366 40 0 HKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2cccnc2)cc1 ZINC000008419367 557787398 /nfs/dbraw/zinc/78/73/98/557787398.db2.gz OLAJPQLBMSZVHV-UHFFFAOYSA-N 1 0 417.734 5.366 40 0 HKABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1cccnc1 ZINC000008435788 557788866 /nfs/dbraw/zinc/78/88/66/557788866.db2.gz BWAKLJAOBAWGDW-UHFFFAOYSA-N 1 0 417.734 5.366 40 0 HKABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccncc1 ZINC000008435791 557788967 /nfs/dbraw/zinc/78/89/67/557788967.db2.gz GPXHGDGHHGOUIB-UHFFFAOYSA-N 1 0 417.734 5.366 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008470198 557791764 /nfs/dbraw/zinc/79/17/64/557791764.db2.gz ZHIREGVSDQHJDR-UHFFFAOYSA-N 1 0 408.369 6.393 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008470208 557791774 /nfs/dbraw/zinc/79/17/74/557791774.db2.gz NKECKVWAZNLYLP-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008470211 557791687 /nfs/dbraw/zinc/79/16/87/557791687.db2.gz GXPQCVWTRKEISA-UHFFFAOYSA-N 1 0 408.350 5.932 40 0 HKABRO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccc(F)cc1 ZINC000008470221 557791768 /nfs/dbraw/zinc/79/17/68/557791768.db2.gz PBXKUANLRRKMSD-UHFFFAOYSA-N 1 0 408.311 5.208 40 0 HKABRO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccc(F)cc1 ZINC000008470223 557791750 /nfs/dbraw/zinc/79/17/50/557791750.db2.gz RECSZILTQGRDDX-UHFFFAOYSA-N 1 0 422.338 5.598 40 0 HKABRO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccccc1 ZINC000008470294 557791753 /nfs/dbraw/zinc/79/17/53/557791753.db2.gz FMVLNBDXGOGBDF-UHFFFAOYSA-N 1 0 404.348 5.459 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCc1ccccc1 ZINC000008470298 557791715 /nfs/dbraw/zinc/79/17/15/557791715.db2.gz NKXUTBONWWLSEF-UHFFFAOYSA-N 1 0 418.375 5.849 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000008470311 560755249 /nfs/dbraw/zinc/75/52/49/560755249.db2.gz CRNMCSPZIANBOF-UHFFFAOYSA-N 1 0 412.327 5.327 40 0 HKABRO COc1cc(C[NH2+]Cc2cccs2)cc(Br)c1OCc1ccccc1 ZINC000008470314 557791980 /nfs/dbraw/zinc/79/19/80/557791980.db2.gz OOTFMZOWRJRQLB-UHFFFAOYSA-N 1 0 418.356 5.388 40 0 HKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1 ZINC000008470326 557792053 /nfs/dbraw/zinc/79/20/53/557792053.db2.gz LFNMRMSLZMOKOG-UHFFFAOYSA-N 1 0 411.973 5.986 40 0 HKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1 ZINC000008470330 557792065 /nfs/dbraw/zinc/79/20/65/557792065.db2.gz QCBKAGTUFYJMEC-UHFFFAOYSA-N 1 0 411.973 5.842 40 0 HKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1 ZINC000008470352 557792062 /nfs/dbraw/zinc/79/20/62/557792062.db2.gz WZXSMENXWOCGPT-UHFFFAOYSA-N 1 0 420.940 5.741 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 ZINC000008470376 557792025 /nfs/dbraw/zinc/79/20/25/557792025.db2.gz LGLLEWRVVJYOPW-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470403 557792010 /nfs/dbraw/zinc/79/20/10/557792010.db2.gz RTTOCLQBBQHVCO-UHFFFAOYSA-N 1 0 408.369 6.393 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470427 557791996 /nfs/dbraw/zinc/79/19/96/557791996.db2.gz DNGIFKZVSSVCCB-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470435 557792069 /nfs/dbraw/zinc/79/20/69/557792069.db2.gz YVTZWMNXIHDKIH-UHFFFAOYSA-N 1 0 408.350 5.932 40 0 HKABRO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccccc1F ZINC000008470452 557792013 /nfs/dbraw/zinc/79/20/13/557792013.db2.gz VZYFQMKPQAOPGY-UHFFFAOYSA-N 1 0 422.338 5.598 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000008470501 557792089 /nfs/dbraw/zinc/79/20/89/557792089.db2.gz FGYFWTLQOPLKBU-UHFFFAOYSA-N 1 0 403.856 5.496 40 0 HKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1cccs1 ZINC000008470560 560755245 /nfs/dbraw/zinc/75/52/45/560755245.db2.gz HHNIBWWFXHCXPJ-UHFFFAOYSA-N 1 0 418.002 6.048 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1cccs1 ZINC000008470617 560755236 /nfs/dbraw/zinc/75/52/36/560755236.db2.gz REFXTMYIUMJLOY-UHFFFAOYSA-N 1 0 408.350 5.932 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471276 557792041 /nfs/dbraw/zinc/79/20/41/557792041.db2.gz WUYYPWYQHLMZJP-UHFFFAOYSA-N 1 0 408.369 6.393 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471292 557792077 /nfs/dbraw/zinc/79/20/77/557792077.db2.gz KQUFRCKQWHOZNB-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471304 557791975 /nfs/dbraw/zinc/79/19/75/557791975.db2.gz NBVNDVLCFHDXEZ-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471308 557792095 /nfs/dbraw/zinc/79/20/95/557792095.db2.gz IBDWNOPCLIFBLK-UHFFFAOYSA-N 1 0 408.350 5.932 40 0 HKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl ZINC000008471339 557792005 /nfs/dbraw/zinc/79/20/05/557792005.db2.gz OABPSXAMFZJMQL-UHFFFAOYSA-N 1 0 417.883 5.538 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl ZINC000008471358 557792031 /nfs/dbraw/zinc/79/20/31/557792031.db2.gz UBEHFABXWHBMSC-UHFFFAOYSA-N 1 0 403.856 5.496 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471397 557791951 /nfs/dbraw/zinc/79/19/51/557791951.db2.gz GPENSNSLLKKLAA-UHFFFAOYSA-N 1 0 408.369 6.393 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471419 557791970 /nfs/dbraw/zinc/79/19/70/557791970.db2.gz KPQIUKFJGHAWOU-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471424 557792017 /nfs/dbraw/zinc/79/20/17/557792017.db2.gz RVSCZOOMFKWEJN-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471433 557791964 /nfs/dbraw/zinc/79/19/64/557791964.db2.gz PIKSNZASAUUKHH-UHFFFAOYSA-N 1 0 408.350 5.932 40 0 HKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000008471462 557792058 /nfs/dbraw/zinc/79/20/58/557792058.db2.gz IBCGHDMVMUYVAB-UHFFFAOYSA-N 1 0 411.973 5.986 40 0 HKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)cc1 ZINC000008471465 557792048 /nfs/dbraw/zinc/79/20/48/557792048.db2.gz YEHPXDGKHLCRMP-UHFFFAOYSA-N 1 0 411.973 5.842 40 0 HKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 ZINC000008471496 557792045 /nfs/dbraw/zinc/79/20/45/557792045.db2.gz FMEHSZGUCJPVRN-UHFFFAOYSA-N 1 0 420.940 5.741 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008471531 557791990 /nfs/dbraw/zinc/79/19/90/557791990.db2.gz UGIHZIKLBQJOAJ-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471650 557792315 /nfs/dbraw/zinc/79/23/15/557792315.db2.gz KHCDXSFTLHSNGO-UHFFFAOYSA-N 1 0 408.369 6.393 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471668 557792274 /nfs/dbraw/zinc/79/22/74/557792274.db2.gz ROCXFLDFBNUGRL-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471682 557792301 /nfs/dbraw/zinc/79/23/01/557792301.db2.gz ZZKCTIYLBBGYMF-UHFFFAOYSA-N 1 0 408.350 5.932 40 0 HKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc(F)cc1Cl ZINC000008471729 557792318 /nfs/dbraw/zinc/79/23/18/557792318.db2.gz UFTLEYLIEPGCNP-UHFFFAOYSA-N 1 0 417.883 5.538 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccc(F)cc1Cl ZINC000008471754 557792327 /nfs/dbraw/zinc/79/23/27/557792327.db2.gz FCXUSQWOFRKAHR-UHFFFAOYSA-N 1 0 403.856 5.496 40 0 HKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)nc1 ZINC000008471797 557792266 /nfs/dbraw/zinc/79/22/66/557792266.db2.gz HVUFWXFGLWOFEO-UHFFFAOYSA-N 1 0 412.961 5.381 40 0 HKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(Cl)c1 ZINC000008471864 557792284 /nfs/dbraw/zinc/79/22/84/557792284.db2.gz RXDQMRDZFJYXPF-UHFFFAOYSA-N 1 0 411.973 5.986 40 0 HKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1cccc(Cl)c1 ZINC000008471868 557792231 /nfs/dbraw/zinc/79/22/31/557792231.db2.gz HHNRWKGSOJWIBP-UHFFFAOYSA-N 1 0 411.973 5.842 40 0 HKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1cccc(Cl)c1 ZINC000008471906 557792248 /nfs/dbraw/zinc/79/22/48/557792248.db2.gz KHGFBAHNZSYEHS-UHFFFAOYSA-N 1 0 420.940 5.741 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 ZINC000008471948 557792240 /nfs/dbraw/zinc/79/22/40/557792240.db2.gz IFVUEOYGFQZONA-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1Cl ZINC000008472101 557792263 /nfs/dbraw/zinc/79/22/63/557792263.db2.gz XTZFFUOHJZHLAH-UHFFFAOYSA-N 1 0 411.973 5.986 40 0 HKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1Cl ZINC000008472106 557792286 /nfs/dbraw/zinc/79/22/86/557792286.db2.gz LETPGRNUVXHYTH-UHFFFAOYSA-N 1 0 411.973 5.842 40 0 HKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl ZINC000008472141 557792338 /nfs/dbraw/zinc/79/23/38/557792338.db2.gz YDRSNNHRTWBELU-UHFFFAOYSA-N 1 0 420.940 5.741 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccccc1Cl ZINC000008472186 557792235 /nfs/dbraw/zinc/79/22/35/557792235.db2.gz IPGMIWGJUUJVGZ-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1ccc(CC[NH2+]Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000008474278 557792324 /nfs/dbraw/zinc/79/23/24/557792324.db2.gz IVPBURNAOGNSQB-UHFFFAOYSA-N 1 0 415.508 5.899 40 0 HKABRO COc1ccc(CC[NH2+]Cc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000008474287 557792270 /nfs/dbraw/zinc/79/22/70/557792270.db2.gz YVBZTQDMSYXCNZ-UHFFFAOYSA-N 1 0 415.508 5.899 40 0 HKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000008474314 557792448 /nfs/dbraw/zinc/79/24/48/557792448.db2.gz LDAXQXGPKGZJFW-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000008474332 557792557 /nfs/dbraw/zinc/79/25/57/557792557.db2.gz VDDXWQFZQKOJAN-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000008474347 557792483 /nfs/dbraw/zinc/79/24/83/557792483.db2.gz BHRQMDPGVNSFBX-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000008474368 557792522 /nfs/dbraw/zinc/79/25/22/557792522.db2.gz GBSSLWITPJVUDW-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000008474378 557792452 /nfs/dbraw/zinc/79/24/52/557792452.db2.gz ZPYYJHXHAVGSFM-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000008474388 557792572 /nfs/dbraw/zinc/79/25/72/557792572.db2.gz UZMDSWPXEXMNGX-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000008474404 557792442 /nfs/dbraw/zinc/79/24/42/557792442.db2.gz QUIJTCBYLJQKNE-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000008474481 557792567 /nfs/dbraw/zinc/79/25/67/557792567.db2.gz INRWKKXLPFLRMP-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1ccc(CC[NH2+]Cc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 ZINC000008474504 557792525 /nfs/dbraw/zinc/79/25/25/557792525.db2.gz MWPGNOVGMYXXLJ-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000008474532 557792504 /nfs/dbraw/zinc/79/25/04/557792504.db2.gz MEEIKOREAIKVPJ-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC ZINC000008493609 557793152 /nfs/dbraw/zinc/79/31/52/557793152.db2.gz HYUWSYBCCZDABE-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3Cl)cc2)cc1OC ZINC000008493612 557793247 /nfs/dbraw/zinc/79/32/47/557793247.db2.gz GMHYVJISGHZJHP-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1OC ZINC000008493640 557793179 /nfs/dbraw/zinc/79/31/79/557793179.db2.gz AHZRAVSZELTQHD-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)cc1OC ZINC000008493646 557793213 /nfs/dbraw/zinc/79/32/13/557793213.db2.gz VYRYRLBAQZKGCW-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2)cc1OC ZINC000008493661 557793099 /nfs/dbraw/zinc/79/30/99/557793099.db2.gz PCYXCBXDGFNSSA-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2Cl)cc1OC ZINC000008493672 557793107 /nfs/dbraw/zinc/79/31/07/557793107.db2.gz METQYZUJFXTWST-UHFFFAOYSA-N 1 0 411.929 5.269 40 0 HKABRO COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1OCc1ccc(Cl)cc1 ZINC000008495302 557793432 /nfs/dbraw/zinc/79/34/32/557793432.db2.gz BJPKURLQHULBAH-UHFFFAOYSA-N 1 0 420.940 5.741 40 0 HKABRO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccc(Cl)cc1Cl ZINC000008495425 557793583 /nfs/dbraw/zinc/79/35/83/557793583.db2.gz XTCZPJQYQUBJQE-UHFFFAOYSA-N 1 0 408.369 6.393 40 0 HKABRO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000008495438 557793437 /nfs/dbraw/zinc/79/34/37/557793437.db2.gz NYICFFGWWWKEBX-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000008495450 557793535 /nfs/dbraw/zinc/79/35/35/557793535.db2.gz RYDMGNHTGMXHHJ-UHFFFAOYSA-N 1 0 402.321 5.871 40 0 HKABRO COc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccc(Cl)cc1Cl ZINC000008495454 557793558 /nfs/dbraw/zinc/79/35/58/557793558.db2.gz UQVIUMCIKJYXJI-UHFFFAOYSA-N 1 0 408.350 5.932 40 0 HKABRO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1Cl ZINC000008495556 557793510 /nfs/dbraw/zinc/79/35/10/557793510.db2.gz TZWUNFVFUHJYNJ-UHFFFAOYSA-N 1 0 411.973 5.986 40 0 HKABRO COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccccc1Cl ZINC000008495559 557793551 /nfs/dbraw/zinc/79/35/51/557793551.db2.gz ASPWUMUYGHJOBF-UHFFFAOYSA-N 1 0 411.973 5.842 40 0 HKABRO COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1OCc1ccccc1Cl ZINC000008495585 557793453 /nfs/dbraw/zinc/79/34/53/557793453.db2.gz PWNODHIRQDHAIO-UHFFFAOYSA-N 1 0 420.940 5.741 40 0 HKABRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497298 560754968 /nfs/dbraw/zinc/75/49/68/560754968.db2.gz XTGKLAHHCRDMSP-FJDLLSKQSA-N 1 0 410.001 6.614 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCCc1ccccc1 ZINC000008497316 560754917 /nfs/dbraw/zinc/75/49/17/560754917.db2.gz BFQIKCGURLEYKZ-ODCRROIESA-N 1 0 419.609 6.011 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(F)cc1 ZINC000008497318 560755046 /nfs/dbraw/zinc/75/50/46/560755046.db2.gz KGFOZVNKIQVAQS-KXEBGOAGSA-N 1 0 423.572 6.108 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 ZINC000008497322 560755043 /nfs/dbraw/zinc/75/50/43/560755043.db2.gz BQBATDVAMRYOQG-PKJWUGJGSA-N 1 0 405.582 5.969 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1F ZINC000008497327 560755033 /nfs/dbraw/zinc/75/50/33/560755033.db2.gz FGZXLXTXOVADTL-DPDSROAVSA-N 1 0 423.572 6.108 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 ZINC000008497330 560755052 /nfs/dbraw/zinc/75/50/52/560755052.db2.gz BAQRAXNLYMJCNL-GXSYWRQXSA-N 1 0 411.611 6.030 40 0 HKABRO C[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497343 560755050 /nfs/dbraw/zinc/75/50/50/560755050.db2.gz PDTMLDVNISRSAQ-REZYEQBDSA-N 1 0 410.001 6.614 40 0 HKABRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008497374 560755028 /nfs/dbraw/zinc/75/50/28/560755028.db2.gz GUHRWVDMEPPEAT-FJDLLSKQSA-N 1 0 410.001 6.614 40 0 HKABRO COc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(F)cc1 ZINC000008497386 560755048 /nfs/dbraw/zinc/75/50/48/560755048.db2.gz GMHWSBCZDCKNQD-DPDSROAVSA-N 1 0 423.572 6.108 40 0 HKABRO COc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 ZINC000008497387 560755029 /nfs/dbraw/zinc/75/50/29/560755029.db2.gz ZLSLGIKNZJRHTI-KMMQNZHGSA-N 1 0 405.582 5.969 40 0 HKABRO C[C@H]([NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000008534223 557793991 /nfs/dbraw/zinc/79/39/91/557793991.db2.gz VBHPEVWHABLCLW-IBGZPJMESA-N 1 0 401.937 6.923 40 0 HKABRO C[C@H]([NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21)c1ccccc1 ZINC000008534226 557794058 /nfs/dbraw/zinc/79/40/58/557794058.db2.gz OUXYHXJCLNYRGR-IBGZPJMESA-N 1 0 401.937 6.923 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008534230 557794027 /nfs/dbraw/zinc/79/40/27/557794027.db2.gz BZJFSRPLRXCFKI-INIZCTEOSA-N 1 0 416.348 6.432 40 0 HKABRO C[C@H]([NH2+]Cc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 ZINC000008534242 557793960 /nfs/dbraw/zinc/79/39/60/557793960.db2.gz ZYBKZFFVQHDYBD-INIZCTEOSA-N 1 0 414.318 6.018 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000008534247 557794054 /nfs/dbraw/zinc/79/40/54/557794054.db2.gz LCYIXSQDTNGZKB-INIZCTEOSA-N 1 0 416.348 6.432 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008534249 557793985 /nfs/dbraw/zinc/79/39/85/557793985.db2.gz DGNBOHZFPBYXFU-INIZCTEOSA-N 1 0 416.348 6.432 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008534251 557793934 /nfs/dbraw/zinc/79/39/34/557793934.db2.gz RUBCWVDXPLJGLJ-INIZCTEOSA-N 1 0 416.348 6.432 40 0 HKABRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000008534278 557793977 /nfs/dbraw/zinc/79/39/77/557793977.db2.gz PGAUJSPEOGTDTI-INIZCTEOSA-N 1 0 416.348 6.432 40 0 HKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OC ZINC000008534502 560755049 /nfs/dbraw/zinc/75/50/49/560755049.db2.gz YJRUVTAUBHHGTA-LVBDODCMSA-N 1 0 408.380 5.305 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4cc(Cl)ccc4OCc4ccccc4)(C1)C[C@@](C)(C3)C2 ZINC000008534511 557794052 /nfs/dbraw/zinc/79/40/52/557794052.db2.gz XJCCQWRAOIPHJI-FMLGTGLNSA-N 1 0 410.001 6.758 40 0 HKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1ccc(F)cc1 ZINC000008534517 557794044 /nfs/dbraw/zinc/79/40/44/557794044.db2.gz WTCXPVHEFFZQGX-AEXOJCPESA-N 1 0 423.572 6.252 40 0 HKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1ccccc1 ZINC000008534518 557794011 /nfs/dbraw/zinc/79/40/11/557794011.db2.gz PNZLSHUOQKVGHC-NORFSPMMSA-N 1 0 405.582 6.113 40 0 HKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1ccccc1F ZINC000008534519 557794015 /nfs/dbraw/zinc/79/40/15/557794015.db2.gz DQDJPGIPTJWFHV-WXIHSGNDSA-N 1 0 423.572 6.252 40 0 HKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1cccs1 ZINC000008534520 560755192 /nfs/dbraw/zinc/75/51/92/560755192.db2.gz LDTSRFNCCSBZIG-SFWXWQOYSA-N 1 0 411.611 6.174 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4ccc(OCc5ccc(Cl)cc5)cc4)(C1)C[C@@](C)(C3)C2 ZINC000008534527 557794008 /nfs/dbraw/zinc/79/40/08/557794008.db2.gz DLBDCRVUEQONFA-MVJOHORYSA-N 1 0 410.001 6.758 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4cccc(OCc5ccc(Cl)cc5)c4)(C1)C[C@@](C)(C3)C2 ZINC000008534540 557794066 /nfs/dbraw/zinc/79/40/66/557794066.db2.gz ONPRSOGMWBTJCE-MVJOHORYSA-N 1 0 410.001 6.758 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4cccc(OCc5ccccc5Cl)c4)(C1)C[C@@](C)(C3)C2 ZINC000008534543 557794005 /nfs/dbraw/zinc/79/40/05/557794005.db2.gz HRGZLTGMSNVEDG-FMLGTGLNSA-N 1 0 410.001 6.758 40 0 HKABRO COc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OCc1ccc(F)cc1 ZINC000008534548 557794037 /nfs/dbraw/zinc/79/40/37/557794037.db2.gz BMLNMRUFSZRNGC-WXIHSGNDSA-N 1 0 423.572 6.252 40 0 HKABRO COc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OCc1ccccc1 ZINC000008534549 557794003 /nfs/dbraw/zinc/79/40/03/557794003.db2.gz UEUKIKWXYJEOFH-AEXOJCPESA-N 1 0 405.582 6.113 40 0 HKABRO COc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OCc1ccccc1F ZINC000008534550 557793999 /nfs/dbraw/zinc/79/39/99/557793999.db2.gz CRYJKHMRLLXJMN-YFKJYVEOSA-N 1 0 423.572 6.252 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4ccccc4OCc4ccc(Cl)cc4)(C1)C[C@@](C)(C3)C2 ZINC000008534556 557794064 /nfs/dbraw/zinc/79/40/64/557794064.db2.gz ATMMQCKJPPFHQA-FMLGTGLNSA-N 1 0 410.001 6.758 40 0 HKABRO C[C@]12CC3CC([NH2+]Cc4ccccc4OCc4ccccc4Cl)(C1)C[C@@](C)(C3)C2 ZINC000008534559 557793971 /nfs/dbraw/zinc/79/39/71/557793971.db2.gz BEZVFBCVYLQSTC-JZHSQQRGSA-N 1 0 410.001 6.758 40 0 HKABRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534853 560755175 /nfs/dbraw/zinc/75/51/75/560755175.db2.gz XTGKLAHHCRDMSP-VIAIDJOKSA-N 1 0 410.001 6.614 40 0 HKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCCc1ccccc1 ZINC000008534858 560755198 /nfs/dbraw/zinc/75/51/98/560755198.db2.gz BFQIKCGURLEYKZ-DZKAJJGSSA-N 1 0 419.609 6.011 40 0 HKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(F)cc1 ZINC000008534859 560755130 /nfs/dbraw/zinc/75/51/30/560755130.db2.gz KGFOZVNKIQVAQS-BYMHFINISA-N 1 0 423.572 6.108 40 0 HKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 ZINC000008534860 560755177 /nfs/dbraw/zinc/75/51/77/560755177.db2.gz BQBATDVAMRYOQG-BRHCQBGKSA-N 1 0 405.582 5.969 40 0 HKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1F ZINC000008534861 560755137 /nfs/dbraw/zinc/75/51/37/560755137.db2.gz FGZXLXTXOVADTL-PYMPDBRZSA-N 1 0 423.572 6.108 40 0 HKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 ZINC000008534862 560755151 /nfs/dbraw/zinc/75/51/51/560755151.db2.gz BAQRAXNLYMJCNL-PYZOSGAUSA-N 1 0 411.611 6.030 40 0 HKABRO C[C@@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534867 560755202 /nfs/dbraw/zinc/75/52/02/560755202.db2.gz PDTMLDVNISRSAQ-FNDIMGIGSA-N 1 0 410.001 6.614 40 0 HKABRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008534879 560755206 /nfs/dbraw/zinc/75/52/06/560755206.db2.gz GUHRWVDMEPPEAT-VIAIDJOKSA-N 1 0 410.001 6.614 40 0 HKABRO COc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(F)cc1 ZINC000008534884 560755157 /nfs/dbraw/zinc/75/51/57/560755157.db2.gz GMHWSBCZDCKNQD-PYMPDBRZSA-N 1 0 423.572 6.108 40 0 HKABRO COc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 ZINC000008534885 560755204 /nfs/dbraw/zinc/75/52/04/560755204.db2.gz ZLSLGIKNZJRHTI-SLFMHBNRSA-N 1 0 405.582 5.969 40 0 HKABRO C[C@@H]([NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000008535295 557794280 /nfs/dbraw/zinc/79/42/80/557794280.db2.gz VBHPEVWHABLCLW-LJQANCHMSA-N 1 0 401.937 6.923 40 0 HKABRO C[C@@H]([NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21)c1ccccc1 ZINC000008535298 557794198 /nfs/dbraw/zinc/79/41/98/557794198.db2.gz OUXYHXJCLNYRGR-LJQANCHMSA-N 1 0 401.937 6.923 40 0 HKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008535302 557794327 /nfs/dbraw/zinc/79/43/27/557794327.db2.gz BZJFSRPLRXCFKI-MRXNPFEDSA-N 1 0 416.348 6.432 40 0 HKABRO C[C@@H]([NH2+]Cc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 ZINC000008535314 557794258 /nfs/dbraw/zinc/79/42/58/557794258.db2.gz ZYBKZFFVQHDYBD-MRXNPFEDSA-N 1 0 414.318 6.018 40 0 HKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000008535319 557794287 /nfs/dbraw/zinc/79/42/87/557794287.db2.gz LCYIXSQDTNGZKB-MRXNPFEDSA-N 1 0 416.348 6.432 40 0 HKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008535321 557794316 /nfs/dbraw/zinc/79/43/16/557794316.db2.gz DGNBOHZFPBYXFU-MRXNPFEDSA-N 1 0 416.348 6.432 40 0 HKABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008535323 557794241 /nfs/dbraw/zinc/79/42/41/557794241.db2.gz RUBCWVDXPLJGLJ-MRXNPFEDSA-N 1 0 416.348 6.432 40 0 HKABRO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000008535348 557794296 /nfs/dbraw/zinc/79/42/96/557794296.db2.gz PGAUJSPEOGTDTI-MRXNPFEDSA-N 1 0 416.348 6.432 40 0 HKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1ccc(C)cc1 ZINC000008550124 557794822 /nfs/dbraw/zinc/79/48/22/557794822.db2.gz BJOJMXYVIMSSTQ-VLTVRWITSA-N 1 0 419.609 6.421 40 0 HKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 ZINC000008550139 557794804 /nfs/dbraw/zinc/79/48/04/557794804.db2.gz VLEGEBOJTOPPAU-UHFFFAOYSA-N 1 0 400.522 5.396 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(C)cc1 ZINC000008550153 560755190 /nfs/dbraw/zinc/75/51/90/560755190.db2.gz PKAQCBQAMBZMAX-ODCRROIESA-N 1 0 419.609 6.277 40 0 HKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(C)cc1 ZINC000008550155 560755169 /nfs/dbraw/zinc/75/51/69/560755169.db2.gz PKAQCBQAMBZMAX-DZKAJJGSSA-N 1 0 419.609 6.277 40 0 HKABRO CC[NH+](CC)CCn1nc(-c2ccccc2Cl)c2cc(Br)ccc21 ZINC000008569639 557795312 /nfs/dbraw/zinc/79/53/12/557795312.db2.gz NHZVHFFOVNHAFS-UHFFFAOYSA-N 1 0 406.755 5.461 40 0 HKABRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000008624216 291297621 /nfs/dbraw/zinc/29/76/21/291297621.db2.gz WXLGANARIOYVAO-TZIWHRDSSA-N 1 0 409.936 5.792 40 0 biogenic,in-vitro HKABRO Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000008624227 291298046 /nfs/dbraw/zinc/29/80/46/291298046.db2.gz JZQVKLAYEZBOJV-ZJSXRUAMSA-N 1 0 417.572 6.128 40 0 biogenic,in-vitro HKABRO Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000008636069 291298086 /nfs/dbraw/zinc/29/80/86/291298086.db2.gz FLUHVXIQLHXSMJ-ISKFKSNPSA-N 1 0 403.545 5.954 40 0 biogenic,in-vitro HKABRO COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H]([NH2+]Cc4cccc(Cl)c4)C3)c2C)cc1 ZINC000008636092 291295145 /nfs/dbraw/zinc/29/51/45/291295145.db2.gz SRKWLIWAJWBHFQ-TZIWHRDSSA-N 1 0 407.945 5.353 40 0 biogenic,in-vitro HKABRO COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H]([NH2+]Cc4ccc(C(C)C)cc4)C3)c2C)cc1 ZINC000008636093 291295125 /nfs/dbraw/zinc/29/51/25/291295125.db2.gz DYBSPKAOCVEOAC-DNQXCXABSA-N 1 0 415.581 5.823 40 0 biogenic,in-vitro HKABRO CC[NH+](CC)CCOC(=O)C(O)(C1CCC(C(C)C)CC1)C1CCC(C(C)C)CC1 ZINC000008637653 557798004 /nfs/dbraw/zinc/79/80/04/557798004.db2.gz AVHCGSIBPILMCF-UHFFFAOYSA-N 1 0 423.682 5.527 40 0 HKABRO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008714165 569324097 /nfs/dbraw/zinc/32/40/97/569324097.db2.gz UYIXMJFJLXYPIV-BTYIYWSLSA-N 1 0 403.364 5.412 40 0 HKABRO Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717148 560637831 /nfs/dbraw/zinc/63/78/31/560637831.db2.gz VKLFKVJTCPKFKA-PPHZAIPVSA-N 1 0 416.565 6.442 40 0 HKABRO Cc1ccc(C[NH2+]Cc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000008763121 560638421 /nfs/dbraw/zinc/63/84/21/560638421.db2.gz CRYYCJQWEBWGSV-UHFFFAOYSA-N 1 0 400.526 5.022 40 0 HKABRO CC[NH+](CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008783322 569390354 /nfs/dbraw/zinc/39/03/54/569390354.db2.gz OTAGGRZZZJCOQI-UHFFFAOYSA-N 1 0 424.585 5.168 40 0 HKABRO C[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000009062647 569342142 /nfs/dbraw/zinc/34/21/42/569342142.db2.gz VDHLIRCZRAPUMV-SFHVURJKSA-N 1 0 413.005 5.727 40 0 HKABRO C[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000009062648 569342164 /nfs/dbraw/zinc/34/21/64/569342164.db2.gz VDHLIRCZRAPUMV-GOSISDBHSA-N 1 0 413.005 5.727 40 0 HKABRO Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000009062747 560757321 /nfs/dbraw/zinc/75/73/21/560757321.db2.gz PRGNKIORBPDPNO-QGZVFWFLSA-N 1 0 402.941 5.185 40 0 HKABRO Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000009062748 560757301 /nfs/dbraw/zinc/75/73/01/560757301.db2.gz PRGNKIORBPDPNO-KRWDZBQOSA-N 1 0 402.941 5.185 40 0 HKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062799 569342275 /nfs/dbraw/zinc/34/22/75/569342275.db2.gz PAGGVFSMVJGZLW-UHFFFAOYSA-N 1 0 416.590 5.830 40 0 HKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062834 569342249 /nfs/dbraw/zinc/34/22/49/569342249.db2.gz GNEKHXSXDQSKPZ-UHFFFAOYSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1ccccc1Sc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062835 569342288 /nfs/dbraw/zinc/34/22/88/569342288.db2.gz UTOXBGLXMMJCOK-UHFFFAOYSA-N 1 0 402.563 5.689 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000009062877 569342254 /nfs/dbraw/zinc/34/22/54/569342254.db2.gz UBAZNNSLZCNGMW-UHFFFAOYSA-N 1 0 400.522 5.638 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000009062953 569342253 /nfs/dbraw/zinc/34/22/53/569342253.db2.gz WKNKLMGCARYZLI-UHFFFAOYSA-N 1 0 416.590 5.997 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000009062966 569342211 /nfs/dbraw/zinc/34/22/11/569342211.db2.gz FNQGVIUZUFXASK-UHFFFAOYSA-N 1 0 400.522 5.638 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000009062988 569342270 /nfs/dbraw/zinc/34/22/70/569342270.db2.gz YMJPWQWSVNPQJN-UHFFFAOYSA-N 1 0 412.577 5.436 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000009063044 569342380 /nfs/dbraw/zinc/34/23/80/569342380.db2.gz NWNIGFSAGMVBJT-UHFFFAOYSA-N 1 0 410.867 5.518 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1 ZINC000009063064 569342322 /nfs/dbraw/zinc/34/23/22/569342322.db2.gz HNIDRCLAPKCPPD-UHFFFAOYSA-N 1 0 416.590 5.997 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c1 ZINC000009063080 569342332 /nfs/dbraw/zinc/34/23/32/569342332.db2.gz AMEZKJVQMWYRKN-UHFFFAOYSA-N 1 0 410.867 5.518 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000009063089 569342358 /nfs/dbraw/zinc/34/23/58/569342358.db2.gz IUMFUOAYXRFDET-UHFFFAOYSA-N 1 0 412.577 5.436 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000009063126 569342368 /nfs/dbraw/zinc/34/23/68/569342368.db2.gz YDNLYFSTNABRSK-UHFFFAOYSA-N 1 0 414.549 5.425 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)cc1 ZINC000009063160 569342316 /nfs/dbraw/zinc/34/23/16/569342316.db2.gz SMLUDZQZXLXULG-UHFFFAOYSA-N 1 0 421.766 5.262 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)cc1 ZINC000009063161 569342312 /nfs/dbraw/zinc/34/23/12/569342312.db2.gz ASUOEGHFXFSAOJ-UHFFFAOYSA-N 1 0 416.590 5.997 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)cc1 ZINC000009063182 569342374 /nfs/dbraw/zinc/34/23/74/569342374.db2.gz NYBWNLBEQQAYNH-UHFFFAOYSA-N 1 0 410.867 5.518 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 ZINC000009063187 569342342 /nfs/dbraw/zinc/34/23/42/569342342.db2.gz MJZLFJDMZYIVNK-UHFFFAOYSA-N 1 0 411.760 5.806 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063195 569342354 /nfs/dbraw/zinc/34/23/54/569342354.db2.gz UJZPFEWVCKLMJF-UHFFFAOYSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(NCCSc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063201 569342328 /nfs/dbraw/zinc/34/23/28/569342328.db2.gz VHZDTIWBMWFZGT-UHFFFAOYSA-N 1 0 423.409 5.114 40 0 HKABRO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063204 569342356 /nfs/dbraw/zinc/34/23/56/569342356.db2.gz FRVLXVUPRXGQNB-UHFFFAOYSA-N 1 0 411.760 5.175 40 0 HKABRO O=C(Nc1ccccc1-c1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063253 569342386 /nfs/dbraw/zinc/34/23/86/569342386.db2.gz NAKPDJLXDYDAQR-UHFFFAOYSA-N 1 0 404.941 5.858 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063257 569342330 /nfs/dbraw/zinc/34/23/30/569342330.db2.gz HTCDDMMKMIIRJK-UHFFFAOYSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063289 569342390 /nfs/dbraw/zinc/34/23/90/569342390.db2.gz YPKOBVVCONTKJZ-UHFFFAOYSA-N 1 0 411.760 5.175 40 0 HKABRO Cc1cc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1Br ZINC000009063298 569342346 /nfs/dbraw/zinc/34/23/46/569342346.db2.gz OXYQBYGFPVWIIX-UHFFFAOYSA-N 1 0 421.766 5.262 40 0 HKABRO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000009063300 569342364 /nfs/dbraw/zinc/34/23/64/569342364.db2.gz NTJFRBUYEFGBFS-UHFFFAOYSA-N 1 0 410.989 5.033 40 0 HKABRO O=C(Nc1ccccc1-c1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063349 569342420 /nfs/dbraw/zinc/34/24/20/569342420.db2.gz BUKPBDXRCLMPDH-UHFFFAOYSA-N 1 0 404.941 5.858 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063354 569342454 /nfs/dbraw/zinc/34/24/54/569342454.db2.gz PIPUBAXQNTUAAH-UHFFFAOYSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063362 569342490 /nfs/dbraw/zinc/34/24/90/569342490.db2.gz VYAIBWMLPSYZPW-UHFFFAOYSA-N 1 0 418.968 5.458 40 0 HKABRO O=C(Nc1ccccc1-c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063440 569342452 /nfs/dbraw/zinc/34/24/52/569342452.db2.gz OBPHEQPWWBLZJX-UHFFFAOYSA-N 1 0 404.941 5.858 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063464 569342424 /nfs/dbraw/zinc/34/24/24/569342424.db2.gz YFUQAHNWBUZCKR-UHFFFAOYSA-N 1 0 404.485 5.469 40 0 HKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063486 569342492 /nfs/dbraw/zinc/34/24/92/569342492.db2.gz SCBXKNDWZRIZMC-UHFFFAOYSA-N 1 0 414.830 5.349 40 0 HKABRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063551 569342404 /nfs/dbraw/zinc/34/24/04/569342404.db2.gz HYHANIXEPMAKFH-UHFFFAOYSA-N 1 0 415.723 5.637 40 0 HKABRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063602 569342418 /nfs/dbraw/zinc/34/24/18/569342418.db2.gz DXIJCIMLUYXPEY-UHFFFAOYSA-N 1 0 414.830 5.349 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063634 569342436 /nfs/dbraw/zinc/34/24/36/569342436.db2.gz CCAJXAWLOCWHLG-UHFFFAOYSA-N 1 0 404.485 5.469 40 0 HKABRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063646 569342412 /nfs/dbraw/zinc/34/24/12/569342412.db2.gz PKCVVVXPCOGFHQ-UHFFFAOYSA-N 1 0 415.723 5.637 40 0 HKABRO O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010313949 569343385 /nfs/dbraw/zinc/34/33/85/569343385.db2.gz FIHDBPYNPGJYED-UHFFFAOYSA-N 1 0 407.739 5.341 40 0 HKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010328511 569343820 /nfs/dbraw/zinc/34/38/20/569343820.db2.gz ASEYSCDGBCZYIJ-UHFFFAOYSA-N 1 0 416.590 6.135 40 0 HKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010328819 569343812 /nfs/dbraw/zinc/34/38/12/569343812.db2.gz GQVJHJBOTKEVGO-UHFFFAOYSA-N 1 0 420.940 6.371 40 0 HKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010330575 557860661 /nfs/dbraw/zinc/86/06/61/557860661.db2.gz KLRYSPRWKUSRJR-UHFFFAOYSA-N 1 0 416.590 6.217 40 0 HKABRO O=C(NCCSCc1c(F)cccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010331109 557860676 /nfs/dbraw/zinc/86/06/76/557860676.db2.gz IXWRCTFXBBLVRJ-UHFFFAOYSA-N 1 0 420.981 5.128 40 0 HKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010332352 569343834 /nfs/dbraw/zinc/34/38/34/569343834.db2.gz NDLXMZZEKBRTOD-UHFFFAOYSA-N 1 0 406.913 5.980 40 0 HKABRO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010335497 569343952 /nfs/dbraw/zinc/34/39/52/569343952.db2.gz NGTOFFMHVYXAQE-UHFFFAOYSA-N 1 0 418.924 5.419 40 0 HKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010337607 557861426 /nfs/dbraw/zinc/86/14/26/557861426.db2.gz XNAOZWQPQOQKKQ-UHFFFAOYSA-N 1 0 400.522 5.504 40 0 HKABRO O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010337985 560767879 /nfs/dbraw/zinc/76/78/79/560767879.db2.gz DUMOPQNAPNGZPC-UHFFFAOYSA-N 1 0 423.409 5.252 40 0 HKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010338297 560767953 /nfs/dbraw/zinc/76/79/53/560767953.db2.gz OWSWBMDFXYBONV-UHFFFAOYSA-N 1 0 402.563 5.827 40 0 HKABRO O=C(Nc1ccccc1Sc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010338463 569343975 /nfs/dbraw/zinc/34/39/75/569343975.db2.gz KMLJQNZMPIXRKH-UHFFFAOYSA-N 1 0 402.563 6.076 40 0 HKABRO O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010365631 569344217 /nfs/dbraw/zinc/34/42/17/569344217.db2.gz SLJMSDFOLRFLCR-UHFFFAOYSA-N 1 0 423.409 5.252 40 0 HKABRO O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010434090 560768950 /nfs/dbraw/zinc/76/89/50/560768950.db2.gz WSHGLUJQMRUHQX-UHFFFAOYSA-N 1 0 423.409 5.252 40 0 HKABRO CC1CC[NH+](CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000010540265 560769888 /nfs/dbraw/zinc/76/98/88/560769888.db2.gz UDRNJLPESVTENS-UHFFFAOYSA-N 1 0 417.018 5.484 40 0 HKABRO CC(C)(C)Nc1c(C2CCN(C(=O)CCc3ccccc3F)CC2)[nH+]c2ccccn21 ZINC000012087465 558322371 /nfs/dbraw/zinc/32/23/71/558322371.db2.gz OIIYFSHTMADYEG-UHFFFAOYSA-N 1 0 422.548 5.023 40 0 HKABRO Cc1scc(C(=O)N2CCC(c3[nH+]c4ccccn4c3NC(C)(C)C)CC2)c1C ZINC000012087471 558322252 /nfs/dbraw/zinc/32/22/52/558322252.db2.gz YAQBJJYPCMXDCX-UHFFFAOYSA-N 1 0 410.587 5.243 40 0 HKABRO Cc1cc(C(=O)N2CCC(c3[nH+]c4ccc(F)cn4c3NC(C)(C)C)CC2)cs1 ZINC000012087492 558322362 /nfs/dbraw/zinc/32/23/62/558322362.db2.gz QDODNQWNBKVGNO-UHFFFAOYSA-N 1 0 414.550 5.074 40 0 HKABRO COc1ccccc1-c1ocnc1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000012115158 558327569 /nfs/dbraw/zinc/32/75/69/558327569.db2.gz WTOQBIQZVQGONX-UHFFFAOYSA-N 1 0 419.525 5.367 40 0 HKABRO C[C@@H](C(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1)c1ccccc1 ZINC000012127757 558331531 /nfs/dbraw/zinc/33/15/31/558331531.db2.gz ZEYWQNOSILPPQM-GOSISDBHSA-N 1 0 404.558 5.054 40 0 HKABRO C[C@H](C(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1)c1ccccc1 ZINC000012127762 558331505 /nfs/dbraw/zinc/33/15/05/558331505.db2.gz ZEYWQNOSILPPQM-SFHVURJKSA-N 1 0 404.558 5.054 40 0 HKABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)on2)cc1 ZINC000012154153 558339516 /nfs/dbraw/zinc/33/95/16/558339516.db2.gz JWOUYKNCRXCROE-DEOSSOPVSA-N 1 0 419.525 5.426 40 0 HKABRO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)on2)cc1 ZINC000012154154 558339584 /nfs/dbraw/zinc/33/95/84/558339584.db2.gz JWOUYKNCRXCROE-XMMPIXPASA-N 1 0 419.525 5.426 40 0 HKABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)no2)cc1 ZINC000012185619 558344983 /nfs/dbraw/zinc/34/49/83/558344983.db2.gz UHWMTMQQTHFRTN-DEOSSOPVSA-N 1 0 419.525 5.426 40 0 HKABRO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)no2)cc1 ZINC000012185623 558344887 /nfs/dbraw/zinc/34/48/87/558344887.db2.gz UHWMTMQQTHFRTN-XMMPIXPASA-N 1 0 419.525 5.426 40 0 HKABRO Cc1ccccc1C1(O)CC[NH+](Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000012253058 558362530 /nfs/dbraw/zinc/36/25/30/558362530.db2.gz JYWWDYNANOKPPJ-UHFFFAOYSA-N 1 0 403.551 5.083 40 0 HKABRO C[N@H+](Cc1ccccc1NC(=O)c1ncoc1-c1ccc(F)cc1)C1CCCCC1 ZINC000012326006 558383183 /nfs/dbraw/zinc/38/31/83/558383183.db2.gz FFWGPVIPAQUPSW-UHFFFAOYSA-N 1 0 407.489 5.498 40 0 HKABRO COc1cc(C[NH2+]C2(c3ccccc3F)CCCC2)ccc1OCc1c(C)noc1C ZINC000012328724 558383683 /nfs/dbraw/zinc/38/36/83/558383683.db2.gz OMUGAWYMIRYDBI-UHFFFAOYSA-N 1 0 424.516 5.577 40 0 HKABRO Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000012603397 291298008 /nfs/dbraw/zinc/29/80/08/291298008.db2.gz PWFVZGPHJJNDQT-ISKFKSNPSA-N 1 0 420.000 6.468 40 0 biogenic,in-vitro HKABRO Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000012603405 291298027 /nfs/dbraw/zinc/29/80/27/291298027.db2.gz ZOYFHYMVDWCJLK-ISKFKSNPSA-N 1 0 403.545 5.954 40 0 biogenic,in-vitro HKABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 ZINC000012659997 560783885 /nfs/dbraw/zinc/78/38/85/560783885.db2.gz YEXCLAFCAHCLGV-WFHDTAKJSA-N 1 0 411.586 5.285 40 0 HKABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 ZINC000012659998 560783873 /nfs/dbraw/zinc/78/38/73/560783873.db2.gz YEXCLAFCAHCLGV-WFAKVDRCSA-N 1 0 411.586 5.285 40 0 HKABRO C[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013284059 558529127 /nfs/dbraw/zinc/52/91/27/558529127.db2.gz SUKZMYOUEROBNF-VWLOTQADSA-N 1 0 402.925 5.721 40 0 HKABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccnc3ccc(Cl)cc23)cc1 ZINC000013570258 560814344 /nfs/dbraw/zinc/81/43/44/560814344.db2.gz JKVUALKOEFCNAL-UHFFFAOYSA-N 1 0 403.913 5.494 40 0 HKABRO O=C(c1ccc(Br)cc1)C(C(=S)Nc1ccccc1)[n+]1ccccc1 ZINC000013616779 560824092 /nfs/dbraw/zinc/82/40/92/560824092.db2.gz RSNDDOOWVYMZQX-UHFFFAOYSA-O 1 0 412.332 5.060 40 0 HKABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000013649089 558557846 /nfs/dbraw/zinc/55/78/46/558557846.db2.gz IZZUCWLYQMJUME-UHFFFAOYSA-N 1 0 402.991 5.238 40 0 HKABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000013649744 558558148 /nfs/dbraw/zinc/55/81/48/558558148.db2.gz OBNWWHPLZYNGLX-UHFFFAOYSA-N 1 0 417.018 5.628 40 0 HKABRO CCn1c2ccccc2c2cc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC000013681521 558566862 /nfs/dbraw/zinc/56/68/62/558566862.db2.gz OKCPWVSRQGCLKI-UHFFFAOYSA-N 1 0 411.549 6.053 40 0 HKABRO Brc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c(Br)c1 ZINC000013730602 560827608 /nfs/dbraw/zinc/82/76/08/560827608.db2.gz VSEQUJNMLVKWQQ-UHFFFAOYSA-N 1 0 421.132 5.761 40 0 HKABRO Brc1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)c(Br)c1 ZINC000013730605 560827624 /nfs/dbraw/zinc/82/76/24/560827624.db2.gz LYQNVUDBLSGSRB-UHFFFAOYSA-N 1 0 413.153 5.894 40 0 HKABRO Clc1ccc(-c2n[nH]cc2C[N@H+](CCc2ccccc2)Cc2ccncc2)cc1 ZINC000013990205 560831449 /nfs/dbraw/zinc/83/14/49/560831449.db2.gz QRCYYBUXPMXGKQ-UHFFFAOYSA-N 1 0 402.929 5.370 40 0 HKABRO CC1(C)CC(N(Cc2cnn(C3CCCCC3)c2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000013992727 560831664 /nfs/dbraw/zinc/83/16/64/560831664.db2.gz QGUHEUWMUIOJQK-UHFFFAOYSA-N 1 0 409.622 5.095 40 0 HKABRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000013996951 560832054 /nfs/dbraw/zinc/83/20/54/560832054.db2.gz GACVFXYUDRVNOK-RPBOFIJWSA-N 1 0 419.496 5.289 40 0 HKABRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000013996954 560832068 /nfs/dbraw/zinc/83/20/68/560832068.db2.gz GACVFXYUDRVNOK-DQEYMECFSA-N 1 0 419.496 5.289 40 0 HKABRO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000014608368 560847461 /nfs/dbraw/zinc/84/74/61/560847461.db2.gz PBPOBPVALWTJJP-NDEPHWFRSA-N 1 0 422.572 6.355 40 0 HKABRO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000014608369 560847444 /nfs/dbraw/zinc/84/74/44/560847444.db2.gz PBPOBPVALWTJJP-MUUNZHRXSA-N 1 0 422.572 6.355 40 0 HKABRO O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000014701611 558664076 /nfs/dbraw/zinc/66/40/76/558664076.db2.gz XFZCMXFVVRGAPZ-UHFFFAOYSA-N 1 0 412.577 5.511 40 0 HKABRO C[NH+](C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1 ZINC000014978677 558690203 /nfs/dbraw/zinc/69/02/03/558690203.db2.gz ZVSFNBNLNLXEFQ-RQZHXJHFSA-N 1 0 417.549 5.064 40 0 in-vivo HKABRO CCOC(=O)c1oc2ccc(Cl)cc2c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015017504 558702743 /nfs/dbraw/zinc/70/27/43/558702743.db2.gz ZVBAGBXUEWBDBR-UHFFFAOYSA-N 1 0 411.929 5.718 40 0 HKABRO c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c3c2CCc2ccccc2-3)cc1 ZINC000015770422 568997267 /nfs/dbraw/zinc/99/72/67/568997267.db2.gz HRZDXEKRVPHNMC-UHFFFAOYSA-N 1 0 410.540 7.063 40 0 HKABRO COCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016194392 560859403 /nfs/dbraw/zinc/85/94/03/560859403.db2.gz FQQOXFOBZXZEKT-UHFFFAOYSA-N 1 0 419.146 5.071 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195497 558778119 /nfs/dbraw/zinc/77/81/19/558778119.db2.gz RUIVDWXRGFMVGJ-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016195563 558778075 /nfs/dbraw/zinc/77/80/75/558778075.db2.gz CUFQOKSPKCLTAU-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016195827 558778167 /nfs/dbraw/zinc/77/81/67/558778167.db2.gz DMAOUSSJJPWLSF-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F ZINC000016195892 558778055 /nfs/dbraw/zinc/77/80/55/558778055.db2.gz MYGORZXDRFKYHA-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000016196270 558778090 /nfs/dbraw/zinc/77/80/90/558778090.db2.gz MHGVWFHRDXLAKN-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1c(F)cccc1Cl ZINC000016196293 558778151 /nfs/dbraw/zinc/77/81/51/558778151.db2.gz KQIPEHVFWJXUGW-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196321 558778177 /nfs/dbraw/zinc/77/81/77/558778177.db2.gz KCFINTACBSAOLV-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214723 558778848 /nfs/dbraw/zinc/77/88/48/558778848.db2.gz IYKAUORAYUOHEB-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccc(F)cc1Cl ZINC000016214757 558778842 /nfs/dbraw/zinc/77/88/42/558778842.db2.gz POSFCIVQQDLPEX-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228255 558780138 /nfs/dbraw/zinc/78/01/38/558780138.db2.gz KWNAMGVJWWDTSJ-UHFFFAOYSA-N 1 0 420.311 6.010 40 0 HKABRO Cc1nc2ccccc2nc1C[NH+](Cc1nc2ccccc2nc1C)C1CCCCC1 ZINC000016265156 558781961 /nfs/dbraw/zinc/78/19/61/558781961.db2.gz MSXJHFOMVOHQKL-UHFFFAOYSA-N 1 0 411.553 5.525 40 0 HKABRO Cc1ccc(C(=O)C[C@H](c2ccccc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016291808 558783918 /nfs/dbraw/zinc/78/39/18/558783918.db2.gz SOAAJHLWIRIHKD-RUZDIDTESA-N 1 0 402.513 5.270 40 0 HKABRO Cc1ccc(C(=O)C[C@@H](c2ccccc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016291810 558783938 /nfs/dbraw/zinc/78/39/38/558783938.db2.gz SOAAJHLWIRIHKD-VWLOTQADSA-N 1 0 402.513 5.270 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(C)c1 ZINC000016349246 560860072 /nfs/dbraw/zinc/86/00/72/560860072.db2.gz CIVSPWMAXOQEMA-ODCRROIESA-N 1 0 419.609 6.277 40 0 HKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(C)c1 ZINC000016349249 560860060 /nfs/dbraw/zinc/86/00/60/560860060.db2.gz CIVSPWMAXOQEMA-DZKAJJGSSA-N 1 0 419.609 6.277 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1C ZINC000016362729 560860064 /nfs/dbraw/zinc/86/00/64/560860064.db2.gz CLAQLLYPWGXVMY-NVUQSHBQSA-N 1 0 419.609 6.277 40 0 HKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1C ZINC000016362731 560860059 /nfs/dbraw/zinc/86/00/59/560860059.db2.gz CLAQLLYPWGXVMY-JQBPUPGTSA-N 1 0 419.609 6.277 40 0 HKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OCc1ccccc1C ZINC000016362739 558788100 /nfs/dbraw/zinc/78/81/00/558788100.db2.gz HQRDFKYGXHTRMP-PDGJQCAJSA-N 1 0 419.609 6.421 40 0 HKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccccc1C ZINC000016362779 558788146 /nfs/dbraw/zinc/78/81/46/558788146.db2.gz PYJYNXSKVNAEFL-UHFFFAOYSA-N 1 0 400.522 5.396 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000016399621 558789648 /nfs/dbraw/zinc/78/96/48/558789648.db2.gz AZLZCAXRZQNFIJ-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401401 558790130 /nfs/dbraw/zinc/79/01/30/558790130.db2.gz UZRKNWJLJCANLR-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000016401425 558790127 /nfs/dbraw/zinc/79/01/27/558790127.db2.gz SPHAZCUEPPABBY-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Fc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401606 558790193 /nfs/dbraw/zinc/79/01/93/558790193.db2.gz JEMGEKUWIODEJI-UHFFFAOYSA-N 1 0 418.281 5.596 40 0 HKABRO Fc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016401617 558790065 /nfs/dbraw/zinc/79/00/65/558790065.db2.gz QBGPYWNDJYENGI-UHFFFAOYSA-N 1 0 424.730 6.655 40 0 HKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCC2)cc1 ZINC000016401761 558790135 /nfs/dbraw/zinc/79/01/35/558790135.db2.gz OMQGVNLUYZHUIL-UHFFFAOYSA-N 1 0 408.767 6.104 40 0 HKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCCC2)cc1 ZINC000016401765 558790166 /nfs/dbraw/zinc/79/01/66/558790166.db2.gz YUIVGLPFTXUKNO-UHFFFAOYSA-N 1 0 422.794 6.494 40 0 HKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2cccs2)cc1 ZINC000016430624 558791200 /nfs/dbraw/zinc/79/12/00/558791200.db2.gz VARNFXXYNXIXDX-UHFFFAOYSA-N 1 0 422.775 6.033 40 0 HKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2cccs2)cc1 ZINC000016430630 558791141 /nfs/dbraw/zinc/79/11/41/558791141.db2.gz SIOPKQKVLKJBTL-UHFFFAOYSA-N 1 0 406.320 5.519 40 0 HKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2cccs2)c(Cl)c1 ZINC000016430637 558791210 /nfs/dbraw/zinc/79/12/10/558791210.db2.gz GKUGOQOOBRKIKF-UHFFFAOYSA-N 1 0 412.769 6.577 40 0 HKABRO Fc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000016449521 558791963 /nfs/dbraw/zinc/79/19/63/558791963.db2.gz MLKFIXIMZNXTOH-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Fc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000016449532 558791878 /nfs/dbraw/zinc/79/18/78/558791878.db2.gz PKAWYNVZWJUMBR-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Fc1ccccc1CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000016449542 558791914 /nfs/dbraw/zinc/79/19/14/558791914.db2.gz ABDOAKVUXNNWPS-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Fc1ccccc1CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000016449552 558791894 /nfs/dbraw/zinc/79/18/94/558791894.db2.gz DUXFHBLRJAAUQS-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Fc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000016449562 558792135 /nfs/dbraw/zinc/79/21/35/558792135.db2.gz KMYZYTQDADJNEE-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016449693 558792255 /nfs/dbraw/zinc/79/22/55/558792255.db2.gz AEACHTJKOZXIHY-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)c(Cl)c1 ZINC000016449743 558792267 /nfs/dbraw/zinc/79/22/67/558792267.db2.gz RVJTXEJVJMVEMH-UHFFFAOYSA-N 1 0 406.740 6.516 40 0 HKABRO Clc1ccc(COc2cccc(C[NH2+]Cc3ccccc3Cl)c2)c(Cl)c1 ZINC000016449764 558792291 /nfs/dbraw/zinc/79/22/91/558792291.db2.gz JOWSLDRPMRWUHX-UHFFFAOYSA-N 1 0 406.740 6.516 40 0 HKABRO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000016449991 558792230 /nfs/dbraw/zinc/79/22/30/558792230.db2.gz STGJJJSEXNMGTE-UHFFFAOYSA-N 1 0 408.904 5.872 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000016449996 558792205 /nfs/dbraw/zinc/79/22/05/558792205.db2.gz PMPCVNSNMURNSX-UHFFFAOYSA-N 1 0 404.312 6.044 40 0 HKABRO Fc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000016450012 558792125 /nfs/dbraw/zinc/79/21/25/558792125.db2.gz GSEMSHLMVPYTLA-UHFFFAOYSA-N 1 0 418.281 5.596 40 0 HKABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1cccs1 ZINC000016450025 558792185 /nfs/dbraw/zinc/79/21/85/558792185.db2.gz UGQYLUSLSCTUHV-UHFFFAOYSA-N 1 0 422.775 6.033 40 0 HKABRO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1cccs1 ZINC000016450027 558792150 /nfs/dbraw/zinc/79/21/50/558792150.db2.gz FFAWTRVKRSLLIF-UHFFFAOYSA-N 1 0 406.320 5.519 40 0 HKABRO O=C(C[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016477284 558793615 /nfs/dbraw/zinc/79/36/15/558793615.db2.gz QAIPVUZXIABLIJ-XMMPIXPASA-N 1 0 404.941 5.476 40 0 HKABRO O=C(C[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016477287 558793576 /nfs/dbraw/zinc/79/35/76/558793576.db2.gz QAIPVUZXIABLIJ-DEOSSOPVSA-N 1 0 404.941 5.476 40 0 HKABRO O[C@@H](C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000016477363 558793547 /nfs/dbraw/zinc/79/35/47/558793547.db2.gz IPYBELHWRBHIOF-VWLOTQADSA-N 1 0 417.936 5.895 40 0 HKABRO O[C@H](C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000016477366 558793589 /nfs/dbraw/zinc/79/35/89/558793589.db2.gz IPYBELHWRBHIOF-RUZDIDTESA-N 1 0 417.936 5.895 40 0 HKABRO O[C@@H](C[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21)c1ccccc1 ZINC000016477369 558793640 /nfs/dbraw/zinc/79/36/40/558793640.db2.gz NFRMYGVHJWDVFK-VWLOTQADSA-N 1 0 401.481 5.381 40 0 HKABRO O[C@H](C[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21)c1ccccc1 ZINC000016477372 558793632 /nfs/dbraw/zinc/79/36/32/558793632.db2.gz NFRMYGVHJWDVFK-RUZDIDTESA-N 1 0 401.481 5.381 40 0 HKABRO O[C@@H](C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21)c1ccccc1 ZINC000016477381 558793644 /nfs/dbraw/zinc/79/36/44/558793644.db2.gz MZGZYWQHEUFECG-VWLOTQADSA-N 1 0 417.936 5.895 40 0 HKABRO O[C@H](C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21)c1ccccc1 ZINC000016477385 558793647 /nfs/dbraw/zinc/79/36/47/558793647.db2.gz MZGZYWQHEUFECG-RUZDIDTESA-N 1 0 417.936 5.895 40 0 HKABRO O[C@@H](C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000016477464 558793595 /nfs/dbraw/zinc/79/35/95/558793595.db2.gz JDHFXDOQVCVGMX-QFIPXVFZSA-N 1 0 402.321 5.396 40 0 HKABRO O[C@H](C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000016477468 558793627 /nfs/dbraw/zinc/79/36/27/558793627.db2.gz JDHFXDOQVCVGMX-JOCHJYFZSA-N 1 0 402.321 5.396 40 0 HKABRO O[C@@H](C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000016477495 558793554 /nfs/dbraw/zinc/79/35/54/558793554.db2.gz YCKROQJYKXEYIS-QFIPXVFZSA-N 1 0 402.321 5.396 40 0 HKABRO O[C@H](C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000016477498 558793619 /nfs/dbraw/zinc/79/36/19/558793619.db2.gz YCKROQJYKXEYIS-JOCHJYFZSA-N 1 0 402.321 5.396 40 0 HKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2ccccc2)cc1 ZINC000016479299 558793863 /nfs/dbraw/zinc/79/38/63/558793863.db2.gz WMXSCANNASDEBF-UHFFFAOYSA-N 1 0 401.937 6.405 40 0 HKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCc1ccccc1 ZINC000016479311 558793820 /nfs/dbraw/zinc/79/38/20/558793820.db2.gz QGIQATFBECZMBF-UHFFFAOYSA-N 1 0 401.937 6.405 40 0 HKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]CCc2ccccc2)cc1 ZINC000016479323 558793757 /nfs/dbraw/zinc/79/37/57/558793757.db2.gz WWDWTWBKXLBPMN-UHFFFAOYSA-N 1 0 414.318 5.500 40 0 HKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccccc2)c(Cl)c1 ZINC000016479331 558793750 /nfs/dbraw/zinc/79/37/50/558793750.db2.gz FTXVHYICBGBZJK-UHFFFAOYSA-N 1 0 420.767 6.558 40 0 HKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000016480099 558794134 /nfs/dbraw/zinc/79/41/34/558794134.db2.gz QIUKIALUQRUTQQ-UHFFFAOYSA-N 1 0 416.746 5.971 40 0 HKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000016480102 558794097 /nfs/dbraw/zinc/79/40/97/558794097.db2.gz QIINBRGMJRYMNZ-UHFFFAOYSA-N 1 0 400.291 5.457 40 0 HKABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000016480111 558794047 /nfs/dbraw/zinc/79/40/47/558794047.db2.gz GAKXPDYFAPPMCI-UHFFFAOYSA-N 1 0 416.746 5.971 40 0 HKABRO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000016480114 558794090 /nfs/dbraw/zinc/79/40/90/558794090.db2.gz CCQZZXFPAXBHIJ-UHFFFAOYSA-N 1 0 400.291 5.457 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000016480544 558794039 /nfs/dbraw/zinc/79/40/39/558794039.db2.gz AMJFLBAHWDMQET-UHFFFAOYSA-N 1 0 414.318 5.500 40 0 HKABRO Fc1ccccc1CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000016480550 558794044 /nfs/dbraw/zinc/79/40/44/558794044.db2.gz NGYOQDPIMYDYMK-UHFFFAOYSA-N 1 0 414.318 5.500 40 0 HKABRO Fc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000016480561 558794102 /nfs/dbraw/zinc/79/41/02/558794102.db2.gz QAEJLXIARMWABB-UHFFFAOYSA-N 1 0 400.291 5.457 40 0 HKABRO c1[nH]c2ccccc2c1CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000016480633 558794051 /nfs/dbraw/zinc/79/40/51/558794051.db2.gz HTKFUSPRVCSJME-UHFFFAOYSA-N 1 0 406.529 6.232 40 0 HKABRO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000016525342 558795294 /nfs/dbraw/zinc/79/52/94/558795294.db2.gz OSKLZNUXAVNDLP-UHFFFAOYSA-N 1 0 408.904 5.872 40 0 HKABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000016525830 558795307 /nfs/dbraw/zinc/79/53/07/558795307.db2.gz FRBGJWBAGYAYTH-UHFFFAOYSA-N 1 0 415.552 6.616 40 0 HKABRO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000016525832 558795312 /nfs/dbraw/zinc/79/53/12/558795312.db2.gz LNKKSDCHAVIWND-UHFFFAOYSA-N 1 0 415.552 6.616 40 0 HKABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000016525834 558795316 /nfs/dbraw/zinc/79/53/16/558795316.db2.gz YAAXQKRAMZOCEE-UHFFFAOYSA-N 1 0 415.552 6.472 40 0 HKABRO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000016525836 558795303 /nfs/dbraw/zinc/79/53/03/558795303.db2.gz VIGRRNMFRSLHQK-UHFFFAOYSA-N 1 0 415.552 6.472 40 0 HKABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000016525926 558795280 /nfs/dbraw/zinc/79/52/80/558795280.db2.gz BMAVJCNOCPXROP-UHFFFAOYSA-N 1 0 424.519 6.372 40 0 HKABRO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000016525932 558795314 /nfs/dbraw/zinc/79/53/14/558795314.db2.gz WQKRTAPYCXYKGM-UHFFFAOYSA-N 1 0 424.519 6.372 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000016525934 558795305 /nfs/dbraw/zinc/79/53/05/558795305.db2.gz CDYVKOSDZWPVBD-UHFFFAOYSA-N 1 0 419.927 6.544 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000016525936 558795322 /nfs/dbraw/zinc/79/53/22/558795322.db2.gz OPOHMJRTQPKJEL-UHFFFAOYSA-N 1 0 403.472 6.029 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000016525940 558795481 /nfs/dbraw/zinc/79/54/81/558795481.db2.gz SAFCKOTZCGRJRT-UHFFFAOYSA-N 1 0 419.927 6.544 40 0 HKABRO Fc1ccc(CC[NH2+]Cc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000016525942 558795401 /nfs/dbraw/zinc/79/54/01/558795401.db2.gz ADAVGEFEFJJDTN-UHFFFAOYSA-N 1 0 403.472 6.029 40 0 HKABRO Fc1ccccc1CC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000016525954 558795471 /nfs/dbraw/zinc/79/54/71/558795471.db2.gz PCJAHWROEKJPHY-UHFFFAOYSA-N 1 0 419.927 6.544 40 0 HKABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2ccccc2F)cc1 ZINC000016525956 558795469 /nfs/dbraw/zinc/79/54/69/558795469.db2.gz XHNQWXZBWAKJKF-UHFFFAOYSA-N 1 0 403.472 6.029 40 0 HKABRO Fc1ccccc1CC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000016525960 558795404 /nfs/dbraw/zinc/79/54/04/558795404.db2.gz YVDPHQRZWLOLTH-UHFFFAOYSA-N 1 0 419.927 6.544 40 0 HKABRO Fc1ccccc1CC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000016525962 558795474 /nfs/dbraw/zinc/79/54/74/558795474.db2.gz KJLWUDUJNHQGEZ-UHFFFAOYSA-N 1 0 403.472 6.029 40 0 HKABRO Fc1ccc(C[NH2+]Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000016525973 558795513 /nfs/dbraw/zinc/79/55/13/558795513.db2.gz CPDXPKDENGEGNN-UHFFFAOYSA-N 1 0 405.900 6.501 40 0 HKABRO Fc1ccc(C[NH2+]Cc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000016525979 558795451 /nfs/dbraw/zinc/79/54/51/558795451.db2.gz IUGOTIZXQXFUJW-UHFFFAOYSA-N 1 0 405.900 6.501 40 0 HKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000016525993 558795483 /nfs/dbraw/zinc/79/54/83/558795483.db2.gz GRMXFCZXIZHMER-UHFFFAOYSA-N 1 0 422.355 7.015 40 0 HKABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000016525995 558795522 /nfs/dbraw/zinc/79/55/22/558795522.db2.gz MWFBRYZIUJIHIS-UHFFFAOYSA-N 1 0 405.900 6.501 40 0 HKABRO Clc1ccccc1C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000016525999 558795498 /nfs/dbraw/zinc/79/54/98/558795498.db2.gz SNCLDRQRJANFFE-UHFFFAOYSA-N 1 0 422.355 7.015 40 0 HKABRO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1Cl ZINC000016526001 558795410 /nfs/dbraw/zinc/79/54/10/558795410.db2.gz FPMNPPJENJCYTL-UHFFFAOYSA-N 1 0 405.900 6.501 40 0 HKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccn2)c(Cl)c1 ZINC000016526003 558795396 /nfs/dbraw/zinc/79/53/96/558795396.db2.gz AIEVTQMGRFANBX-UHFFFAOYSA-N 1 0 423.343 6.410 40 0 HKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccncc2)c(Cl)c1 ZINC000016526015 558795476 /nfs/dbraw/zinc/79/54/76/558795476.db2.gz ZERJEDRHXDPVRQ-UHFFFAOYSA-N 1 0 423.343 6.410 40 0 HKABRO CC(C)[NH+](CCSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)C(C)C ZINC000016575379 558795847 /nfs/dbraw/zinc/79/58/47/558795847.db2.gz WUSZLPGICLQJLQ-UHFFFAOYSA-N 1 0 400.466 5.193 40 0 HKABRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@@H](Nc1ccccn1)C(Cl)(Cl)Cl ZINC000016608623 560861071 /nfs/dbraw/zinc/86/10/71/560861071.db2.gz PQOGPQCDZDICOM-HGTKMLMNSA-N 1 0 422.784 5.377 40 0 HKABRO CC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000016681756 560861222 /nfs/dbraw/zinc/86/12/22/560861222.db2.gz WIBNWEMPQJNCRX-UHFFFAOYSA-N 1 0 419.146 5.453 40 0 HKABRO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000016688080 560861152 /nfs/dbraw/zinc/86/11/52/560861152.db2.gz SGWNVJBWKXWCPD-UHFFFAOYSA-N 1 0 417.116 5.039 40 0 HKABRO CCOc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688476 558799984 /nfs/dbraw/zinc/79/99/84/558799984.db2.gz SLYYNYXIAWZIBY-UHFFFAOYSA-N 1 0 422.377 6.322 40 0 HKABRO CCOc1cc(C[NH2+]C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688533 560861208 /nfs/dbraw/zinc/86/12/08/560861208.db2.gz LKAXBRIHIRXTQL-UHFFFAOYSA-N 1 0 419.146 5.453 40 0 HKABRO CCOc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688702 558800054 /nfs/dbraw/zinc/80/00/54/558800054.db2.gz CSKFSTKCHYTIOV-UHFFFAOYSA-N 1 0 422.377 6.322 40 0 HKABRO CCOc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689163 558800123 /nfs/dbraw/zinc/80/01/23/558800123.db2.gz ZOZGMYHNOUPTJW-UHFFFAOYSA-N 1 0 422.377 6.322 40 0 HKABRO CN(C(=O)OCc1ccccc1)[C@@H](C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000016698307 558801335 /nfs/dbraw/zinc/80/13/35/558801335.db2.gz CKHDLPVAQQRVJM-SANMLTNESA-N 1 0 414.549 5.759 40 0 HKABRO CN(C(=O)OCc1ccccc1)[C@H](C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000016698309 558801269 /nfs/dbraw/zinc/80/12/69/558801269.db2.gz CKHDLPVAQQRVJM-AREMUKBSSA-N 1 0 414.549 5.759 40 0 HKABRO C[NH+](C)CCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 ZINC000016711521 558801803 /nfs/dbraw/zinc/80/18/03/558801803.db2.gz UTPSPZQJYJBCRY-ATJXCDBQSA-N 1 0 406.382 5.708 40 0 HKABRO C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@H]1C[C@@H](C[NH+]1CCCCC1)C2=O ZINC000016918203 569357188 /nfs/dbraw/zinc/35/71/88/569357188.db2.gz YHCZRFRDIZKNKD-FZXMNSAFSA-N 1 0 401.635 5.061 40 0 HKABRO COc1ccc(/C(Cl)=C(\c2ccc(O)cc2)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000016957874 558810246 /nfs/dbraw/zinc/81/02/46/558810246.db2.gz BJMAARQGPMBAAP-IZHYLOQSSA-N 1 0 423.940 5.497 40 0 HKABRO O=C(Oc1cccc(/C=C/[n+]2ccccc2)c1OC(=O)c1ccccc1)c1ccccc1 ZINC000017014059 558811685 /nfs/dbraw/zinc/81/16/85/558811685.db2.gz RHTQFTMDELZSNC-LVZFUZTISA-N 1 0 422.460 5.040 40 0 HKABRO O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000017087487 560862551 /nfs/dbraw/zinc/86/25/51/560862551.db2.gz QJDZZUTVZNRYHR-UHFFFAOYSA-N 1 0 406.570 5.738 40 0 HKABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c(Br)cccc12 ZINC000017088183 560863153 /nfs/dbraw/zinc/86/31/53/560863153.db2.gz BAECVCWSMIIFSH-UHFFFAOYSA-N 1 0 409.327 5.450 40 0 HKABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000017090229 560865050 /nfs/dbraw/zinc/86/50/50/560865050.db2.gz DAABPEFOOALBDF-UHFFFAOYSA-N 1 0 415.320 6.102 40 0 HKABRO CC1(C)CC(NC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)CC(C)(C)[NH2+]1 ZINC000017091295 560866103 /nfs/dbraw/zinc/86/61/03/560866103.db2.gz BDYPUWHZKFSCNN-UHFFFAOYSA-N 1 0 418.006 5.728 40 0 HKABRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c(Cl)c1 ZINC000017092046 560866728 /nfs/dbraw/zinc/86/67/28/560866728.db2.gz RNVQIIJRVUEHGY-UHFFFAOYSA-N 1 0 419.956 5.223 40 0 HKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000017092935 560867451 /nfs/dbraw/zinc/86/74/51/560867451.db2.gz KLLOMEWESIHGTP-UHFFFAOYSA-N 1 0 422.381 5.106 40 0 HKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000017092936 560867448 /nfs/dbraw/zinc/86/74/48/560867448.db2.gz ILEMFIYGOZUDMV-UHFFFAOYSA-N 1 0 422.381 5.106 40 0 HKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000017092945 560867594 /nfs/dbraw/zinc/86/75/94/560867594.db2.gz WVIVJOOJMLRQBH-UHFFFAOYSA-N 1 0 422.381 5.106 40 0 HKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000017092950 560867626 /nfs/dbraw/zinc/86/76/26/560867626.db2.gz MSRJOLXJYIGYSV-UHFFFAOYSA-N 1 0 422.381 5.106 40 0 HKABRO Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)Nc3ccccc3)CC2)cc1 ZINC000017093632 560868150 /nfs/dbraw/zinc/86/81/50/560868150.db2.gz HEGQZRVOKVYKPU-UHFFFAOYSA-N 1 0 423.532 5.069 40 0 HKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000017093746 560868342 /nfs/dbraw/zinc/86/83/42/560868342.db2.gz TXSCMJOSDXIXLP-UHFFFAOYSA-N 1 0 423.969 5.216 40 0 HKABRO O=C(Oc1ccc(/C=C\[n+]2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccccc1 ZINC000017376346 558827259 /nfs/dbraw/zinc/82/72/59/558827259.db2.gz SOCWISSUTZYLAR-MNDPQUGUSA-N 1 0 422.460 5.040 40 0 HKABRO C/C(=C\c1ccccc1)C[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019014352 558836564 /nfs/dbraw/zinc/83/65/64/558836564.db2.gz IVWAMGFTACIZTK-DCCWQCMWSA-N 1 0 405.586 5.101 40 0 HKABRO C/C(=C\c1ccccc1)C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019014354 558836530 /nfs/dbraw/zinc/83/65/30/558836530.db2.gz IVWAMGFTACIZTK-ZCQLBKDISA-N 1 0 405.586 5.101 40 0 HKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019014374 569345168 /nfs/dbraw/zinc/34/51/68/569345168.db2.gz LBQAWOAUZJZLPY-JKXNYQSWSA-N 1 0 405.586 5.101 40 0 HKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019014376 569345216 /nfs/dbraw/zinc/34/52/16/569345216.db2.gz LBQAWOAUZJZLPY-OPZIHHCNSA-N 1 0 405.586 5.101 40 0 HKABRO CC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020970 558837783 /nfs/dbraw/zinc/83/77/83/558837783.db2.gz SSOHCRQAKSQKQF-GGAORHGYSA-N 1 0 423.557 5.039 40 0 HKABRO CC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020972 558837718 /nfs/dbraw/zinc/83/77/18/558837718.db2.gz SSOHCRQAKSQKQF-FYYLOGMGSA-N 1 0 423.557 5.039 40 0 HKABRO CC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020975 558837788 /nfs/dbraw/zinc/83/77/88/558837788.db2.gz SSOHCRQAKSQKQF-GMAHTHKFSA-N 1 0 423.557 5.039 40 0 HKABRO CC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020978 558837710 /nfs/dbraw/zinc/83/77/10/558837710.db2.gz SSOHCRQAKSQKQF-JTHBVZDNSA-N 1 0 423.557 5.039 40 0 HKABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccc(COC(C)=O)o3)on2)cc1 ZINC000019023015 558838136 /nfs/dbraw/zinc/83/81/36/558838136.db2.gz WHHBJKIMDJSRCF-QHCPKHFHSA-N 1 0 424.497 5.124 40 0 HKABRO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccc(COC(C)=O)o3)on2)cc1 ZINC000019023018 558838184 /nfs/dbraw/zinc/83/81/84/558838184.db2.gz WHHBJKIMDJSRCF-HSZRJFAPSA-N 1 0 424.497 5.124 40 0 HKABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000019081617 558839812 /nfs/dbraw/zinc/83/98/12/558839812.db2.gz MJGCWVKOPPVTBQ-NJDAHSKKSA-N 1 0 417.018 5.264 40 0 HKABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000019081627 558839727 /nfs/dbraw/zinc/83/97/27/558839727.db2.gz PWTYQEPNHPXBCJ-NJDAHSKKSA-N 1 0 417.018 5.264 40 0 HKABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccccc3Cl)CC[C@H]21 ZINC000019081648 558839789 /nfs/dbraw/zinc/83/97/89/558839789.db2.gz LJPNMTHROHCWBX-SFHLNBCPSA-N 1 0 417.018 5.264 40 0 HKABRO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081737 558839807 /nfs/dbraw/zinc/83/98/07/558839807.db2.gz YSGHOMVLHJUMCA-UNMCSNQZSA-N 1 0 413.993 5.383 40 0 HKABRO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081739 558839755 /nfs/dbraw/zinc/83/97/55/558839755.db2.gz YSGHOMVLHJUMCA-RBBKRZOGSA-N 1 0 413.993 5.383 40 0 HKABRO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081741 558839763 /nfs/dbraw/zinc/83/97/63/558839763.db2.gz YSGHOMVLHJUMCA-IRLDBZIGSA-N 1 0 413.993 5.383 40 0 HKABRO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081743 558839853 /nfs/dbraw/zinc/83/98/53/558839853.db2.gz YSGHOMVLHJUMCA-IFMALSPDSA-N 1 0 413.993 5.383 40 0 HKABRO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cl)c1ccccn1 ZINC000019081754 558839769 /nfs/dbraw/zinc/83/97/69/558839769.db2.gz JIRXMUSMNLRCSB-UGKGYDQZSA-N 1 0 413.993 5.383 40 0 HKABRO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cl)c1ccccn1 ZINC000019081756 558839778 /nfs/dbraw/zinc/83/97/78/558839778.db2.gz JIRXMUSMNLRCSB-SIKLNZKXSA-N 1 0 413.993 5.383 40 0 HKABRO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1ccccc1Cl)c1ccccn1 ZINC000019081758 558839741 /nfs/dbraw/zinc/83/97/41/558839741.db2.gz JIRXMUSMNLRCSB-KNQAVFIVSA-N 1 0 413.993 5.383 40 0 HKABRO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1ccccc1Cl)c1ccccn1 ZINC000019081760 558839861 /nfs/dbraw/zinc/83/98/61/558839861.db2.gz JIRXMUSMNLRCSB-DENIHFKCSA-N 1 0 413.993 5.383 40 0 HKABRO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1CCc1ccccc1)c1ccccn1 ZINC000019082732 558840255 /nfs/dbraw/zinc/84/02/55/558840255.db2.gz UEFCZRUOQRMROD-UPVQGACJSA-N 1 0 407.602 5.162 40 0 HKABRO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1CCc1ccccc1)c1ccccn1 ZINC000019082735 558840329 /nfs/dbraw/zinc/84/03/29/558840329.db2.gz UEFCZRUOQRMROD-LADGPHEKSA-N 1 0 407.602 5.162 40 0 HKABRO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1CCc1ccccc1)c1ccccn1 ZINC000019082738 558840306 /nfs/dbraw/zinc/84/03/06/558840306.db2.gz UEFCZRUOQRMROD-VWNXMTODSA-N 1 0 407.602 5.162 40 0 HKABRO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@@H+]1CCc1ccccc1)c1ccccn1 ZINC000019082740 558840287 /nfs/dbraw/zinc/84/02/87/558840287.db2.gz UEFCZRUOQRMROD-ISKFKSNPSA-N 1 0 407.602 5.162 40 0 HKABRO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082742 558840269 /nfs/dbraw/zinc/84/02/69/558840269.db2.gz ODYBYPRJPOGVQB-GMAHTHKFSA-N 1 0 411.565 5.259 40 0 HKABRO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082744 558840280 /nfs/dbraw/zinc/84/02/80/558840280.db2.gz ODYBYPRJPOGVQB-JTHBVZDNSA-N 1 0 411.565 5.259 40 0 HKABRO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082746 558840264 /nfs/dbraw/zinc/84/02/64/558840264.db2.gz ODYBYPRJPOGVQB-GGAORHGYSA-N 1 0 411.565 5.259 40 0 HKABRO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082749 558840274 /nfs/dbraw/zinc/84/02/74/558840274.db2.gz ODYBYPRJPOGVQB-FYYLOGMGSA-N 1 0 411.565 5.259 40 0 HKABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000019082752 558840333 /nfs/dbraw/zinc/84/03/33/558840333.db2.gz LZRSCGNUDVLUTL-ZJSXRUAMSA-N 1 0 423.601 5.129 40 0 HKABRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000019082754 558840292 /nfs/dbraw/zinc/84/02/92/558840292.db2.gz LZRSCGNUDVLUTL-XUZZJYLKSA-N 1 0 423.601 5.129 40 0 HKABRO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019082756 558840319 /nfs/dbraw/zinc/84/03/19/558840319.db2.gz KTUJFLCRFLYJLH-GMAHTHKFSA-N 1 0 411.565 5.259 40 0 HKABRO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019082758 558840259 /nfs/dbraw/zinc/84/02/59/558840259.db2.gz KTUJFLCRFLYJLH-JTHBVZDNSA-N 1 0 411.565 5.259 40 0 HKABRO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019082760 558840308 /nfs/dbraw/zinc/84/03/08/558840308.db2.gz KTUJFLCRFLYJLH-GGAORHGYSA-N 1 0 411.565 5.259 40 0 HKABRO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019082763 558840442 /nfs/dbraw/zinc/84/04/42/558840442.db2.gz KTUJFLCRFLYJLH-FYYLOGMGSA-N 1 0 411.565 5.259 40 0 HKABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(Cl)c(F)c2)on1 ZINC000019120475 558842905 /nfs/dbraw/zinc/84/29/05/558842905.db2.gz LIQNIVAUFCRLFO-WMZHIEFXSA-N 1 0 413.924 5.584 40 0 HKABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2cccc(OC(C)C)c2)on1 ZINC000019120487 558842835 /nfs/dbraw/zinc/84/28/35/558842835.db2.gz NIRTUPBBAKHPFU-JYFHCDHNSA-N 1 0 419.569 5.579 40 0 HKABRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OCc1ccc(F)cc1 ZINC000019120549 558842869 /nfs/dbraw/zinc/84/28/69/558842869.db2.gz WSENRBAUAAOCAI-NZQKXSOJSA-N 1 0 424.516 5.211 40 0 HKABRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OCc1ccccc1F ZINC000019120552 558842910 /nfs/dbraw/zinc/84/29/10/558842910.db2.gz OQZSIFVLVSIPGY-WMZHIEFXSA-N 1 0 424.516 5.211 40 0 HKABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccc(F)cc2)Cc2cccc(Cl)c2)on1 ZINC000019120621 558843102 /nfs/dbraw/zinc/84/31/02/558843102.db2.gz WHEXPWXIUYGSDW-AUSIDOKSSA-N 1 0 414.908 5.035 40 0 HKABRO COc1ccc(C[N@H+](Cc2ccncc2)[C@H]2CCC[C@@H]2Cc2cc(C)no2)c(C)c1C ZINC000019120691 558843060 /nfs/dbraw/zinc/84/30/60/558843060.db2.gz ACAYUQQEWXSDTB-RDGATRHJSA-N 1 0 419.569 5.417 40 0 HKABRO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2cc(C)no2)c1OCc1cccc(F)c1 ZINC000019120694 558843088 /nfs/dbraw/zinc/84/30/88/558843088.db2.gz PWUMZFHYBKRCBP-XXBNENTESA-N 1 0 424.516 5.211 40 0 HKABRO Cc1csc(C(=O)Nc2ccc(Oc3cc(C)nc(C4CC[NH2+]CC4)c3)cc2)c1 ZINC000019124648 558844344 /nfs/dbraw/zinc/84/43/44/558844344.db2.gz ZXGDAMDTEPUFGC-UHFFFAOYSA-N 1 0 407.539 5.272 40 0 HKABRO COc1ccc(C)cc1C[NH+]1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019133352 558845863 /nfs/dbraw/zinc/84/58/63/558845863.db2.gz PDVIKYKVXNGTAN-UHFFFAOYSA-N 1 0 401.457 5.165 40 0 HKABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019133435 558845767 /nfs/dbraw/zinc/84/57/67/558845767.db2.gz SKLNZDQZGONJHJ-OAHLLOKOSA-N 1 0 401.457 5.165 40 0 HKABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019133439 558845814 /nfs/dbraw/zinc/84/58/14/558845814.db2.gz SKLNZDQZGONJHJ-HNNXBMFYSA-N 1 0 401.457 5.165 40 0 HKABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)cc1 ZINC000019210351 558848244 /nfs/dbraw/zinc/84/82/44/558848244.db2.gz CXBLWKGQZGTVHP-HJOGWXRNSA-N 1 0 408.611 5.063 40 0 HKABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](CCCC(=O)c4ccc(C)c(C)c4)C3)o2)s1 ZINC000019213467 558849359 /nfs/dbraw/zinc/84/93/59/558849359.db2.gz URXYHQPENJSIRJ-HXUWFJFHSA-N 1 0 423.582 5.566 40 0 HKABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](CCCC(=O)c4ccc(C)c(C)c4)C3)o2)s1 ZINC000019213470 558849348 /nfs/dbraw/zinc/84/93/48/558849348.db2.gz URXYHQPENJSIRJ-FQEVSTJZSA-N 1 0 423.582 5.566 40 0 HKABRO COCCn1c(C)c(C[NH2+][C@@H](Cc2ccsc2)c2ccc(C)cn2)c2ccccc21 ZINC000019215435 558850026 /nfs/dbraw/zinc/85/00/26/558850026.db2.gz ONCRPAVDUCJCJE-DEOSSOPVSA-N 1 0 419.594 5.435 40 0 HKABRO COCCn1c(C)c(C[NH2+][C@H](Cc2ccsc2)c2ccc(C)cn2)c2ccccc21 ZINC000019215438 558850118 /nfs/dbraw/zinc/85/01/18/558850118.db2.gz ONCRPAVDUCJCJE-XMMPIXPASA-N 1 0 419.594 5.435 40 0 HKABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc(Oc3ncccn3)cc2)nc1 ZINC000019215492 558850018 /nfs/dbraw/zinc/85/00/18/558850018.db2.gz MBKVNMILMTXAIX-JOCHJYFZSA-N 1 0 402.523 5.107 40 0 HKABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2ccc(Oc3ncccn3)cc2)nc1 ZINC000019215494 558850095 /nfs/dbraw/zinc/85/00/95/558850095.db2.gz MBKVNMILMTXAIX-QFIPXVFZSA-N 1 0 402.523 5.107 40 0 HKABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2cccc(OCc3ccccn3)c2)nc1 ZINC000019215541 558850091 /nfs/dbraw/zinc/85/00/91/558850091.db2.gz FGGOQWGIFPXPNA-RUZDIDTESA-N 1 0 415.562 5.499 40 0 HKABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2cccc(OCc3ccccn3)c2)nc1 ZINC000019215543 558850061 /nfs/dbraw/zinc/85/00/61/558850061.db2.gz FGGOQWGIFPXPNA-VWLOTQADSA-N 1 0 415.562 5.499 40 0 HKABRO Cc1cc(C)n(-c2cccc(C[NH2+][C@H](Cc3ccsc3)c3ccc(C)cn3)c2)n1 ZINC000019215550 558850023 /nfs/dbraw/zinc/85/00/23/558850023.db2.gz WIJIPRXYWORQKP-XMMPIXPASA-N 1 0 402.567 5.328 40 0 HKABRO Cc1cc(C)n(-c2cccc(C[NH2+][C@@H](Cc3ccsc3)c3ccc(C)cn3)c2)n1 ZINC000019215552 558850114 /nfs/dbraw/zinc/85/01/14/558850114.db2.gz WIJIPRXYWORQKP-DEOSSOPVSA-N 1 0 402.567 5.328 40 0 HKABRO COc1cc2c(cc1OC)[C@@H](C[C@@H](C)c1ccccc1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216059 558850122 /nfs/dbraw/zinc/85/01/22/558850122.db2.gz DRJCWFUJRNXAQN-DQMJNTIXSA-N 1 0 402.538 5.529 40 0 HKABRO COc1cc2c(cc1OC)[C@@H](C[C@H](C)c1ccccc1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216061 558850063 /nfs/dbraw/zinc/85/00/63/558850063.db2.gz DRJCWFUJRNXAQN-NTUVXCKYSA-N 1 0 402.538 5.529 40 0 HKABRO COc1cccc2ccc(C[NH+]3CCC(c4nnc(-c5ccc(C)s5)o4)CC3)nc21 ZINC000019217845 558850763 /nfs/dbraw/zinc/85/07/63/558850763.db2.gz ADBNMDWRRSNKGD-UHFFFAOYSA-N 1 0 420.538 5.043 40 0 HKABRO Cc1cccc(C2(O)CC[NH+](Cc3c4cccnc4[nH]c3-c3cccs3)CC2)c1 ZINC000019234512 558853711 /nfs/dbraw/zinc/85/37/11/558853711.db2.gz MEDYKEOZOYNTGI-UHFFFAOYSA-N 1 0 403.551 5.083 40 0 HKABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)c1 ZINC000019235064 558854199 /nfs/dbraw/zinc/85/41/99/558854199.db2.gz JHBSMOPRBZNBBM-HJOGWXRNSA-N 1 0 408.611 5.063 40 0 HKABRO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4cccs4)C[C@@H]32)c1 ZINC000019235245 558854384 /nfs/dbraw/zinc/85/43/84/558854384.db2.gz FGKXJIWJOZRPKU-WXFUMESZSA-N 1 0 408.611 5.063 40 0 HKABRO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4ccsc4)C[C@@H]32)c1 ZINC000019235249 558854334 /nfs/dbraw/zinc/85/43/34/558854334.db2.gz KUPAFPQWHBQZHQ-WXFUMESZSA-N 1 0 408.611 5.063 40 0 HKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019235966 558854989 /nfs/dbraw/zinc/85/49/89/558854989.db2.gz DTCHWHGNGDMTSV-OAHLLOKOSA-N 1 0 401.457 5.165 40 0 HKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019235967 558855106 /nfs/dbraw/zinc/85/51/06/558855106.db2.gz DTCHWHGNGDMTSV-HNNXBMFYSA-N 1 0 401.457 5.165 40 0 HKABRO Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)n1 ZINC000019236116 558855195 /nfs/dbraw/zinc/85/51/95/558855195.db2.gz HWDMKJNOQGVNRS-UHFFFAOYSA-N 1 0 417.553 5.058 40 0 HKABRO Cc1cccc(C[N@H+]2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236213 558855365 /nfs/dbraw/zinc/85/53/65/558855365.db2.gz DLRCOHYZKZSFFR-OAHLLOKOSA-N 1 0 418.463 5.448 40 0 HKABRO Cc1cccc(C[N@H+]2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236214 558855312 /nfs/dbraw/zinc/85/53/12/558855312.db2.gz DLRCOHYZKZSFFR-HNNXBMFYSA-N 1 0 418.463 5.448 40 0 HKABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000019236855 558856073 /nfs/dbraw/zinc/85/60/73/558856073.db2.gz SREJZNZGEBTPSY-VWLOTQADSA-N 1 0 405.586 5.153 40 0 HKABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000019236856 558856159 /nfs/dbraw/zinc/85/61/59/558856159.db2.gz SREJZNZGEBTPSY-RUZDIDTESA-N 1 0 405.586 5.153 40 0 HKABRO Cc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCCC1 ZINC000019237253 558856433 /nfs/dbraw/zinc/85/64/33/558856433.db2.gz DLVOBUHHMWZBEH-HJOGWXRNSA-N 1 0 408.611 5.063 40 0 HKABRO Cc1ccsc1C[NH+]1CCC(c2nc(NC(C)C)ncc2-c2cccnc2)CC1 ZINC000019238613 558857394 /nfs/dbraw/zinc/85/73/94/558857394.db2.gz BFROZJZDYXQZMA-UHFFFAOYSA-N 1 0 407.587 5.108 40 0 HKABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019293420 558865172 /nfs/dbraw/zinc/86/51/72/558865172.db2.gz JIEPCZMWFHNYKV-FKBYEOEOSA-N 1 0 415.002 5.018 40 0 HKABRO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCCC3)CC[C@@H]21 ZINC000019332147 558868735 /nfs/dbraw/zinc/86/87/35/558868735.db2.gz PNNRFJROXILTFY-VABKMULXSA-N 1 0 412.574 5.150 40 0 HKABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019334346 558869408 /nfs/dbraw/zinc/86/94/08/558869408.db2.gz XNEHZCJKCRBFKC-FKBYEOEOSA-N 1 0 415.002 5.018 40 0 HKABRO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019343537 558872472 /nfs/dbraw/zinc/87/24/72/558872472.db2.gz PPSJYOXWHDFJBR-YPAWHYETSA-N 1 0 414.640 5.206 40 0 HKABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](C3CCCCC3)CC[C@H]21 ZINC000019347720 558874046 /nfs/dbraw/zinc/87/40/46/558874046.db2.gz MHUGXOPZZCWBDU-MQSCRBSSSA-N 1 0 412.574 5.150 40 0 HKABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349217 558874825 /nfs/dbraw/zinc/87/48/25/558874825.db2.gz PWHSVDKMDIYDPZ-ONTIZHBOSA-N 1 0 415.002 5.018 40 0 HKABRO CCCC[NH+](CCCC)CCN[C@@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000019363663 558876523 /nfs/dbraw/zinc/87/65/23/558876523.db2.gz PDWJGSPICZTZEA-DEOSSOPVSA-N 1 0 403.010 5.930 40 0 HKABRO c1ccc2c(c1)-c1ccccc1C2N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019365288 560872882 /nfs/dbraw/zinc/87/28/82/560872882.db2.gz PTFVYTNOAJBUJP-UHFFFAOYSA-N 1 0 414.552 6.144 40 0 HKABRO CN1CC[NH+](CCS[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019365317 558876814 /nfs/dbraw/zinc/87/68/14/558876814.db2.gz JZTQXLGXJLBLFI-NRFANRHFSA-N 1 0 405.032 5.069 40 0 HKABRO c1ccc(C[C@H](NCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000019365880 558876880 /nfs/dbraw/zinc/87/68/80/558876880.db2.gz MLOAIMHDNLNGIR-KYJUHHDHSA-N 1 0 420.600 6.134 40 0 HKABRO c1ccc(C[C@@H](NCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000019365882 558876802 /nfs/dbraw/zinc/87/68/02/558876802.db2.gz MLOAIMHDNLNGIR-LOYHVIPDSA-N 1 0 420.600 6.134 40 0 HKABRO CCN(CC)CC[NH2+][C@@H](Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000019366356 558876947 /nfs/dbraw/zinc/87/69/47/558876947.db2.gz ZPOYFNXJMYZMJI-MHZLTWQESA-N 1 0 402.582 5.481 40 0 HKABRO Fc1cccc(C[N@H+](CCCn2ccnc2)Cc2cccn2-c2ccccc2F)c1 ZINC000019368470 558877494 /nfs/dbraw/zinc/87/74/94/558877494.db2.gz WIMWHZVKCVLDLS-UHFFFAOYSA-N 1 0 406.480 5.045 40 0 HKABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019369001 558877713 /nfs/dbraw/zinc/87/77/13/558877713.db2.gz UYZBJXQZRJZFTA-HJOGWXRNSA-N 1 0 420.553 5.018 40 0 HKABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019369007 558877691 /nfs/dbraw/zinc/87/76/91/558877691.db2.gz RYASUXVFHZSHFE-HJOGWXRNSA-N 1 0 420.553 5.018 40 0 HKABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019369014 558877672 /nfs/dbraw/zinc/87/76/72/558877672.db2.gz KLRLOCLRUIAYJP-FIXSFTCYSA-N 1 0 420.553 5.018 40 0 HKABRO c1ccc([C@H]2C[N@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CCN2)cc1 ZINC000019371065 558878971 /nfs/dbraw/zinc/87/89/71/558878971.db2.gz KAYYXDPIMIYMRS-MUUNZHRXSA-N 1 0 404.557 5.625 40 0 HKABRO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000019372262 558879457 /nfs/dbraw/zinc/87/94/57/558879457.db2.gz NJIGMYUJIHFUIC-WXFUMESZSA-N 1 0 408.611 5.145 40 0 HKABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000019373142 558880370 /nfs/dbraw/zinc/88/03/70/558880370.db2.gz CJWSCPLFTVZMED-OAQYLSRUSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000019373144 558880397 /nfs/dbraw/zinc/88/03/97/558880397.db2.gz CJWSCPLFTVZMED-NRFANRHFSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000019373145 558880402 /nfs/dbraw/zinc/88/04/02/558880402.db2.gz BWRFYSVINZBTPI-JOCHJYFZSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000019373147 558880386 /nfs/dbraw/zinc/88/03/86/558880386.db2.gz BWRFYSVINZBTPI-QFIPXVFZSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000019373148 558880350 /nfs/dbraw/zinc/88/03/50/558880350.db2.gz LIZHTANQAKYFBC-JOCHJYFZSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000019373149 558880327 /nfs/dbraw/zinc/88/03/27/558880327.db2.gz LIZHTANQAKYFBC-QFIPXVFZSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000019373150 558880377 /nfs/dbraw/zinc/88/03/77/558880377.db2.gz JYWGJMUIFKBZSO-JOCHJYFZSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000019373152 558880299 /nfs/dbraw/zinc/88/02/99/558880299.db2.gz JYWGJMUIFKBZSO-QFIPXVFZSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000019373153 558880362 /nfs/dbraw/zinc/88/03/62/558880362.db2.gz CHPNPWVDFCNBEL-JOCHJYFZSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000019373154 558880333 /nfs/dbraw/zinc/88/03/33/558880333.db2.gz CHPNPWVDFCNBEL-QFIPXVFZSA-N 1 0 422.536 5.057 40 0 HKABRO c1ccc(Nc2cc(-c3ccncc3)nc(C3CC[NH+](Cc4ccncc4)CC3)n2)cc1 ZINC000019373338 558880498 /nfs/dbraw/zinc/88/04/98/558880498.db2.gz JYJNUEIYDVDEDD-UHFFFAOYSA-N 1 0 422.536 5.057 40 0 HKABRO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC000019376384 558882385 /nfs/dbraw/zinc/88/23/85/558882385.db2.gz SGCQNTCXTHVIKX-SDHOMARFSA-N 1 0 416.590 5.128 40 0 HKABRO c1ccc2c(c1)ccnc2-c1nnc([C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)o1 ZINC000019376491 558882510 /nfs/dbraw/zinc/88/25/10/558882510.db2.gz DCQPLEQMEXRANA-QFIPXVFZSA-N 1 0 407.477 5.170 40 0 HKABRO c1ccc2c(c1)ccnc2-c1nnc([C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)o1 ZINC000019376492 558882496 /nfs/dbraw/zinc/88/24/96/558882496.db2.gz DCQPLEQMEXRANA-JOCHJYFZSA-N 1 0 407.477 5.170 40 0 HKABRO O=C(N[C@H](C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000019400909 558883306 /nfs/dbraw/zinc/88/33/06/558883306.db2.gz RJASJPPNRNWZKT-FYYLOGMGSA-N 1 0 411.977 5.137 40 0 HKABRO O=C(N[C@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000019400912 558883535 /nfs/dbraw/zinc/88/35/35/558883535.db2.gz RJASJPPNRNWZKT-JTHBVZDNSA-N 1 0 411.977 5.137 40 0 HKABRO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019406536 558885118 /nfs/dbraw/zinc/88/51/18/558885118.db2.gz FRXXBVSWBAYIIV-YPAWHYETSA-N 1 0 414.640 5.206 40 0 HKABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019406589 558885111 /nfs/dbraw/zinc/88/51/11/558885111.db2.gz UICGTOSCFCWRLB-VABKMULXSA-N 1 0 400.632 5.135 40 0 HKABRO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](C3CCCCC3)CC[C@H]21 ZINC000019406601 558885104 /nfs/dbraw/zinc/88/51/04/558885104.db2.gz FHRDERBBCAPLFQ-DNVJHFABSA-N 1 0 400.632 5.277 40 0 HKABRO CC(C)Nc1ncc(-c2cccnc2)c(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n1 ZINC000019450315 558888869 /nfs/dbraw/zinc/88/88/69/558888869.db2.gz LGUXRTCQNHDEIQ-UHFFFAOYSA-N 1 0 423.511 5.017 40 0 HKABRO CC(C)Nc1ncc(-c2cccnc2)c(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC000019450323 558888864 /nfs/dbraw/zinc/88/88/64/558888864.db2.gz BERFZHGJTCROJU-UHFFFAOYSA-N 1 0 423.511 5.017 40 0 HKABRO CC(C)Nc1ncc(-c2cccnc2)c(C2CC[NH+](Cc3ccc(F)cc3F)CC2)n1 ZINC000019450332 558888828 /nfs/dbraw/zinc/88/88/28/558888828.db2.gz MSRIIFKUTFEGMV-UHFFFAOYSA-N 1 0 423.511 5.017 40 0 HKABRO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019452097 558889946 /nfs/dbraw/zinc/88/99/46/558889946.db2.gz FVEFVCBDSWTJLG-OAHLLOKOSA-N 1 0 404.436 5.140 40 0 HKABRO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019452099 558889938 /nfs/dbraw/zinc/88/99/38/558889938.db2.gz FVEFVCBDSWTJLG-HNNXBMFYSA-N 1 0 404.436 5.140 40 0 HKABRO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019452105 558889902 /nfs/dbraw/zinc/88/99/02/558889902.db2.gz PNFFCBBEVJRILX-OAHLLOKOSA-N 1 0 404.436 5.140 40 0 HKABRO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019452107 558890112 /nfs/dbraw/zinc/89/01/12/558890112.db2.gz PNFFCBBEVJRILX-HNNXBMFYSA-N 1 0 404.436 5.140 40 0 HKABRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 ZINC000019453276 558890829 /nfs/dbraw/zinc/89/08/29/558890829.db2.gz KGMJDOJQEIYTKT-HJOGWXRNSA-N 1 0 408.611 5.098 40 0 HKABRO C[C@@H](CC[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 ZINC000019455616 558891862 /nfs/dbraw/zinc/89/18/62/558891862.db2.gz ZEUFVUZSURBMIG-GBXCKJPGSA-N 1 0 407.602 5.191 40 0 HKABRO C[C@H](CC[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 ZINC000019455618 558891832 /nfs/dbraw/zinc/89/18/32/558891832.db2.gz ZEUFVUZSURBMIG-HYBUGGRVSA-N 1 0 407.602 5.191 40 0 HKABRO C[C@@H](CC[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 ZINC000019455620 558891787 /nfs/dbraw/zinc/89/17/87/558891787.db2.gz ZEUFVUZSURBMIG-RDPSFJRHSA-N 1 0 407.602 5.191 40 0 HKABRO C[C@H](CC[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 ZINC000019455622 558891911 /nfs/dbraw/zinc/89/19/11/558891911.db2.gz ZEUFVUZSURBMIG-YKSBVNFPSA-N 1 0 407.602 5.191 40 0 HKABRO C[C@H](CC[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000019455654 569345415 /nfs/dbraw/zinc/34/54/15/569345415.db2.gz PLPUHLFQJZSMBX-KIFXHHALSA-N 1 0 407.602 5.191 40 0 HKABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4cccc5ccccc54)C3)no2)CC1 ZINC000019496756 558895707 /nfs/dbraw/zinc/89/57/07/558895707.db2.gz RHVZPOJLKWDWQJ-JOCHJYFZSA-N 1 0 417.553 5.080 40 0 HKABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4cccc5ccccc54)C3)no2)CC1 ZINC000019496757 558895585 /nfs/dbraw/zinc/89/55/85/558895585.db2.gz RHVZPOJLKWDWQJ-QFIPXVFZSA-N 1 0 417.553 5.080 40 0 HKABRO CCc1c(C)noc1-c1snnc1C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000019521797 558902786 /nfs/dbraw/zinc/90/27/86/558902786.db2.gz DUZMZXIHZXVUKA-UHFFFAOYSA-N 1 0 402.589 5.122 40 0 HKABRO CCCc1ccc(C[N@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)s1 ZINC000019525484 558906648 /nfs/dbraw/zinc/90/66/48/558906648.db2.gz WARRWPTZPNFPTQ-GBXCKJPGSA-N 1 0 409.599 5.806 40 0 HKABRO CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CC[NH+](Cc2cccs2)CC1 ZINC000019530205 558911450 /nfs/dbraw/zinc/91/14/50/558911450.db2.gz MTQMILRDUSSZTP-UHFFFAOYSA-N 1 0 424.566 5.100 40 0 HKABRO CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CC[NH+](Cc2ccsc2)CC1 ZINC000019530213 558911505 /nfs/dbraw/zinc/91/15/05/558911505.db2.gz LOHKXIMKOJKAAS-UHFFFAOYSA-N 1 0 424.566 5.100 40 0 HKABRO CCOc1ccc(C[N@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000019533175 558912993 /nfs/dbraw/zinc/91/29/93/558912993.db2.gz SHMXDPWBQJFYIE-WIOPSUGQSA-N 1 0 405.542 5.190 40 0 HKABRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019533258 558913049 /nfs/dbraw/zinc/91/30/49/558913049.db2.gz VLUUFMZXERLAPA-XMMPIXPASA-N 1 0 402.542 5.281 40 0 HKABRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019533260 558912981 /nfs/dbraw/zinc/91/29/81/558912981.db2.gz VLUUFMZXERLAPA-DEOSSOPVSA-N 1 0 402.542 5.281 40 0 HKABRO COc1ccc(C[N@H+](Cc2ccccc2OC)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554765 558917697 /nfs/dbraw/zinc/91/76/97/558917697.db2.gz GHSQOSFQMQGXBN-LOSJGSFVSA-N 1 0 421.512 5.028 40 0 HKABRO Cc1ncsc1-c1nnc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000019562752 558923282 /nfs/dbraw/zinc/92/32/82/558923282.db2.gz ZGAVAUMTAYCMGW-CYBMUJFWSA-N 1 0 409.342 5.188 40 0 HKABRO Cc1ncsc1-c1nnc([C@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000019562755 558923384 /nfs/dbraw/zinc/92/33/84/558923384.db2.gz ZGAVAUMTAYCMGW-ZDUSSCGKSA-N 1 0 409.342 5.188 40 0 HKABRO COc1ccccc1/C=C/C[NH+]1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019564973 558925078 /nfs/dbraw/zinc/92/50/78/558925078.db2.gz JARRRHOZSUBPFE-FNORWQNLSA-N 1 0 413.468 5.370 40 0 HKABRO COc1ccc(CC[N@H+](Cc2[nH]c3ccccc3c2C)Cc2ccncc2)cc1OC ZINC000019565867 558925710 /nfs/dbraw/zinc/92/57/10/558925710.db2.gz JFQFSIJVLCIEFX-UHFFFAOYSA-N 1 0 415.537 5.133 40 0 HKABRO Cc1noc2nc(C3CC[NH+](Cc4cc(C)c(O)c(C)c4)CC3)cc(C(F)F)c12 ZINC000019569971 558928725 /nfs/dbraw/zinc/92/87/25/558928725.db2.gz CZCGELWDWVTWIH-UHFFFAOYSA-N 1 0 401.457 5.171 40 0 HKABRO Cc1cc(Oc2ccc(NC(=O)C3[C@@H]4CCCC[C@H]34)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000019570443 558929355 /nfs/dbraw/zinc/92/93/55/558929355.db2.gz WBNPUCPODDVVIU-RIKCKFAHSA-N 1 0 405.542 5.024 40 0 HKABRO COc1ccc(C[NH+]2CCC(c3nc(C)c(-c4ccnc(C)n4)s3)CC2)c(C)c1C ZINC000019577321 558933056 /nfs/dbraw/zinc/93/30/56/558933056.db2.gz IHXAXFFCSCTLST-UHFFFAOYSA-N 1 0 422.598 5.222 40 0 HKABRO COc1ccc(-c2ccccc2NC(=O)c2noc(C)c2C[NH+]2CCCCCC2)cc1 ZINC000019663116 558954013 /nfs/dbraw/zinc/95/40/13/558954013.db2.gz CBOZJIQZRGKGLU-UHFFFAOYSA-N 1 0 419.525 5.287 40 0 HKABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+]3Cc3ccnc4ccccc34)nc2)c1 ZINC000019687273 568825888 /nfs/dbraw/zinc/82/58/88/568825888.db2.gz IMHOEUSTZYAVSX-MHZLTWQESA-N 1 0 409.533 5.566 40 0 HKABRO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+]3Cc3ccnc4ccccc34)nc2)c1 ZINC000019687275 569428413 /nfs/dbraw/zinc/42/84/13/569428413.db2.gz IMHOEUSTZYAVSX-HHHXNRCGSA-N 1 0 409.533 5.566 40 0 HKABRO CCn1cc(C[NH+]2CCC(c3ccc(-c4cncnc4)cn3)CC2)c2ccc(F)cc21 ZINC000019688062 558957574 /nfs/dbraw/zinc/95/75/74/558957574.db2.gz JKOSKVLTUHFUDH-UHFFFAOYSA-N 1 0 415.516 5.032 40 0 HKABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+]3Cc3c(C)nn(C(C)C)c3C)nc2)c1 ZINC000019688532 558957970 /nfs/dbraw/zinc/95/79/70/558957970.db2.gz XDFCVRFQUAKTOQ-SANMLTNESA-N 1 0 418.585 5.412 40 0 HKABRO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+]3Cc3c(C)nn(C(C)C)c3C)nc2)c1 ZINC000019688534 558957884 /nfs/dbraw/zinc/95/78/84/558957884.db2.gz XDFCVRFQUAKTOQ-AREMUKBSSA-N 1 0 418.585 5.412 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688536 558957949 /nfs/dbraw/zinc/95/79/49/558957949.db2.gz YMOPDNMPOPXVMT-RUZDIDTESA-N 1 0 406.549 5.543 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688538 558958062 /nfs/dbraw/zinc/95/80/62/558958062.db2.gz YMOPDNMPOPXVMT-VWLOTQADSA-N 1 0 406.549 5.543 40 0 HKABRO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000019689523 569428436 /nfs/dbraw/zinc/42/84/36/569428436.db2.gz FUCFSAHOIUZVSH-DEOSSOPVSA-N 1 0 409.537 5.095 40 0 HKABRO CN(C)c1ncc(-c2ccccc2)c([C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000019689525 569428410 /nfs/dbraw/zinc/42/84/10/569428410.db2.gz FUCFSAHOIUZVSH-XMMPIXPASA-N 1 0 409.537 5.095 40 0 HKABRO COCc1cc(C[N@@H+]2CCC[C@@H]2c2cc(-c3cn[nH]c3)cc(C)n2)ccc1OC(C)C ZINC000019690788 558960026 /nfs/dbraw/zinc/96/00/26/558960026.db2.gz JMQXYXIXNAOWLQ-XMMPIXPASA-N 1 0 420.557 5.051 40 0 HKABRO COCc1cc(C[N@@H+]2CCC[C@H]2c2cc(-c3cn[nH]c3)cc(C)n2)ccc1OC(C)C ZINC000019690789 558960035 /nfs/dbraw/zinc/96/00/35/558960035.db2.gz JMQXYXIXNAOWLQ-DEOSSOPVSA-N 1 0 420.557 5.051 40 0 HKABRO Cc1c(C[NH+]2CCC(c3cc(Cc4ccc(Cl)cc4)cc(C)n3)CC2)cnn1C ZINC000019691580 558960792 /nfs/dbraw/zinc/96/07/92/558960792.db2.gz FFGWAJRUHSABLQ-UHFFFAOYSA-N 1 0 408.977 5.056 40 0 HKABRO CCn1ncc(C[NH+]2CCC(c3cc(Cc4cccc(F)c4)cc(C)n3)CC2)c1C ZINC000019691591 558960748 /nfs/dbraw/zinc/96/07/48/558960748.db2.gz XYQKMEMIPDXFHD-UHFFFAOYSA-N 1 0 406.549 5.024 40 0 HKABRO CCn1ncc(C[NH+]2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)c1C ZINC000019691592 558960744 /nfs/dbraw/zinc/96/07/44/558960744.db2.gz QFEIHVXOWRQERR-UHFFFAOYSA-N 1 0 406.549 5.024 40 0 HKABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)cc1CO ZINC000019691909 558961363 /nfs/dbraw/zinc/96/13/63/558961363.db2.gz CMLGGXXZOPGTNM-AREMUKBSSA-N 1 0 416.565 5.209 40 0 HKABRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)cc1CO ZINC000019691910 558961501 /nfs/dbraw/zinc/96/15/01/558961501.db2.gz CMLGGXXZOPGTNM-SANMLTNESA-N 1 0 416.565 5.209 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1c1cc(Cc2cccc(F)c2)cc(C)n1 ZINC000019691915 558961450 /nfs/dbraw/zinc/96/14/50/558961450.db2.gz ZPIAYXTYJZOSPK-AREMUKBSSA-N 1 0 420.576 5.851 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1c1cc(Cc2cccc(F)c2)cc(C)n1 ZINC000019691916 558961439 /nfs/dbraw/zinc/96/14/39/558961439.db2.gz ZPIAYXTYJZOSPK-SANMLTNESA-N 1 0 420.576 5.851 40 0 HKABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)c1C ZINC000019691999 558961391 /nfs/dbraw/zinc/96/13/91/558961391.db2.gz JKVRKDHLISRZPL-XMMPIXPASA-N 1 0 408.977 5.496 40 0 HKABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)c1C ZINC000019692000 558961400 /nfs/dbraw/zinc/96/14/00/558961400.db2.gz JKVRKDHLISRZPL-DEOSSOPVSA-N 1 0 408.977 5.496 40 0 HKABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)c1C ZINC000019692001 558961370 /nfs/dbraw/zinc/96/13/70/558961370.db2.gz AFGFPPNKPAFWOH-XMMPIXPASA-N 1 0 408.977 5.496 40 0 HKABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)c1C ZINC000019692002 558961445 /nfs/dbraw/zinc/96/14/45/558961445.db2.gz AFGFPPNKPAFWOH-DEOSSOPVSA-N 1 0 408.977 5.496 40 0 HKABRO Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019692009 558961745 /nfs/dbraw/zinc/96/17/45/558961745.db2.gz MPNYARDUCBMPET-QFIPXVFZSA-N 1 0 414.475 5.070 40 0 HKABRO Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019692010 558961672 /nfs/dbraw/zinc/96/16/72/558961672.db2.gz MPNYARDUCBMPET-JOCHJYFZSA-N 1 0 414.475 5.070 40 0 HKABRO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@@H+]4C4CCCCC4)nc32)cc1 ZINC000019695869 558964288 /nfs/dbraw/zinc/96/42/88/558964288.db2.gz ODJYZSHJQMERAZ-QHCPKHFHSA-N 1 0 418.585 5.042 40 0 HKABRO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@@H+]4C4CCCCC4)nc32)cc1 ZINC000019695870 558964303 /nfs/dbraw/zinc/96/43/03/558964303.db2.gz ODJYZSHJQMERAZ-HSZRJFAPSA-N 1 0 418.585 5.042 40 0 HKABRO Fc1ccccc1OCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)[nH]n1 ZINC000019703634 558967711 /nfs/dbraw/zinc/96/77/11/558967711.db2.gz ILAFSLUGIVIDJC-DEOSSOPVSA-N 1 0 416.500 5.056 40 0 HKABRO Fc1ccccc1OCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)[nH]n1 ZINC000019703635 558967753 /nfs/dbraw/zinc/96/77/53/558967753.db2.gz ILAFSLUGIVIDJC-XMMPIXPASA-N 1 0 416.500 5.056 40 0 HKABRO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704367 569347631 /nfs/dbraw/zinc/34/76/31/569347631.db2.gz FCIHQNIXGYMWGB-OAQYLSRUSA-N 1 0 419.573 5.015 40 0 HKABRO CC(C)c1ccc(OCc2cc([C@H]3CC[N@H+](Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704368 569347657 /nfs/dbraw/zinc/34/76/57/569347657.db2.gz FCIHQNIXGYMWGB-NRFANRHFSA-N 1 0 419.573 5.015 40 0 HKABRO Cc1nc([C@@]2(O)CCC[N@@H+](C3CCCC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705240 569347842 /nfs/dbraw/zinc/34/78/42/569347842.db2.gz HOXMIPKXDUAOKL-JOCHJYFZSA-N 1 0 421.006 5.300 40 0 HKABRO Cc1nc([C@]2(O)CCC[N@@H+](C3CCCC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705241 569347895 /nfs/dbraw/zinc/34/78/95/569347895.db2.gz HOXMIPKXDUAOKL-QFIPXVFZSA-N 1 0 421.006 5.300 40 0 HKABRO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705256 569347863 /nfs/dbraw/zinc/34/78/63/569347863.db2.gz CLOFPHHYGOOGIK-NRFANRHFSA-N 1 0 408.995 5.013 40 0 HKABRO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705257 569347904 /nfs/dbraw/zinc/34/79/04/569347904.db2.gz CLOFPHHYGOOGIK-OAQYLSRUSA-N 1 0 408.995 5.013 40 0 HKABRO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705278 569347849 /nfs/dbraw/zinc/34/78/49/569347849.db2.gz YFTAVLKRPKMMRV-JOCHJYFZSA-N 1 0 424.557 5.028 40 0 HKABRO Cc1nc([C@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705279 569347870 /nfs/dbraw/zinc/34/78/70/569347870.db2.gz YFTAVLKRPKMMRV-QFIPXVFZSA-N 1 0 424.557 5.028 40 0 HKABRO Cc1nc([C@@]2(O)CCC[N@@H+](C3CCCCC3)CC2)sc1CCOc1ccccc1 ZINC000019705418 569347926 /nfs/dbraw/zinc/34/79/26/569347926.db2.gz DQXHCMOFKDFXHZ-XMMPIXPASA-N 1 0 414.615 5.079 40 0 HKABRO Cc1nc([C@]2(O)CCC[N@@H+](C3CCCCC3)CC2)sc1CCOc1ccccc1 ZINC000019705419 569347928 /nfs/dbraw/zinc/34/79/28/569347928.db2.gz DQXHCMOFKDFXHZ-DEOSSOPVSA-N 1 0 414.615 5.079 40 0 HKABRO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1CCOc1ccc(Cl)cc1 ZINC000019705444 569347933 /nfs/dbraw/zinc/34/79/33/569347933.db2.gz GINWYIIIWYHLBB-QFIPXVFZSA-N 1 0 423.022 5.056 40 0 HKABRO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1CCOc1ccc(Cl)cc1 ZINC000019705445 569347996 /nfs/dbraw/zinc/34/79/96/569347996.db2.gz GINWYIIIWYHLBB-JOCHJYFZSA-N 1 0 423.022 5.056 40 0 HKABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)C1 ZINC000019711773 569348196 /nfs/dbraw/zinc/34/81/96/569348196.db2.gz FXXRVEAESZTWBF-HUVFLSCGSA-N 1 0 424.589 5.126 40 0 HKABRO CCn1ccnc1C[N@H+](CC)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 ZINC000019711924 569428901 /nfs/dbraw/zinc/42/89/01/569428901.db2.gz ABRFQFLTJNUMPF-SQJMNOBHSA-N 1 0 419.569 5.321 40 0 HKABRO CCn1ccnc1C[N@H+](CC)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000019711999 569428921 /nfs/dbraw/zinc/42/89/21/569428921.db2.gz FETHPHHCJMIWGT-UKILVPOCSA-N 1 0 419.569 5.321 40 0 HKABRO CC[N@H+](C/C(C)=C/c1ccccc1)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 ZINC000019712708 569348318 /nfs/dbraw/zinc/34/83/18/569348318.db2.gz HIFUZLJBFGKOFC-VIILDYQGSA-N 1 0 420.597 5.470 40 0 HKABRO Cc1nc2ccc(Cl)cn2c1CN(Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000019715707 558977009 /nfs/dbraw/zinc/97/70/09/558977009.db2.gz XHPOYPHYLTXSCY-UHFFFAOYSA-N 1 0 417.384 5.046 40 0 HKABRO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2CC2CCCCC2)nc1C ZINC000019755612 558274171 /nfs/dbraw/zinc/27/41/71/558274171.db2.gz CZEZOZUHSHKRJK-QFIPXVFZSA-N 1 0 422.573 5.153 40 0 HKABRO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@@H+]2CC2CCCCC2)nc1C ZINC000019755614 558274127 /nfs/dbraw/zinc/27/41/27/558274127.db2.gz CZEZOZUHSHKRJK-JOCHJYFZSA-N 1 0 422.573 5.153 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000019931553 558310342 /nfs/dbraw/zinc/31/03/42/558310342.db2.gz HUGGUFIUJLSSSC-CQSZACIVSA-N 1 0 410.867 5.843 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000019931555 558310276 /nfs/dbraw/zinc/31/02/76/558310276.db2.gz HUGGUFIUJLSSSC-AWEZNQCLSA-N 1 0 410.867 5.843 40 0 HKABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000020037467 558325204 /nfs/dbraw/zinc/32/52/04/558325204.db2.gz LWIVFMMROXPECX-MRXNPFEDSA-N 1 0 414.933 5.001 40 0 HKABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1Cl ZINC000020037471 558325152 /nfs/dbraw/zinc/32/51/52/558325152.db2.gz LWIVFMMROXPECX-INIZCTEOSA-N 1 0 414.933 5.001 40 0 HKABRO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OCC ZINC000020038862 558325310 /nfs/dbraw/zinc/32/53/10/558325310.db2.gz MTMTVJTXRVGVQF-WOJBJXKFSA-N 1 0 424.585 5.207 40 0 HKABRO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OCC ZINC000020038865 521256103 /nfs/dbraw/zinc/25/61/03/521256103.db2.gz MTMTVJTXRVGVQF-UXHICEINSA-N 1 0 424.585 5.207 40 0 HKABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1Cl ZINC000020039914 558325658 /nfs/dbraw/zinc/32/56/58/558325658.db2.gz MBBZOSRSWLYBOO-UHFFFAOYSA-N 1 0 414.933 5.001 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)CC1 ZINC000020043765 558326793 /nfs/dbraw/zinc/32/67/93/558326793.db2.gz LIXFAKJBKNQSSY-UHFFFAOYSA-N 1 0 410.867 5.843 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)CC1 ZINC000020104712 558333035 /nfs/dbraw/zinc/33/30/35/558333035.db2.gz ALFXOFRPDDQDSX-UHFFFAOYSA-N 1 0 416.590 6.322 40 0 HKABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020106186 558333405 /nfs/dbraw/zinc/33/34/05/558333405.db2.gz NMDJNNRTXQZYFR-RUZDIDTESA-N 1 0 419.613 5.024 40 0 HKABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020106188 558333447 /nfs/dbraw/zinc/33/34/47/558333447.db2.gz NMDJNNRTXQZYFR-VWLOTQADSA-N 1 0 419.613 5.024 40 0 HKABRO Cc1ccc([C@@H](NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c2ccccc2)cc1 ZINC000020106597 558333645 /nfs/dbraw/zinc/33/36/45/558333645.db2.gz BNMKWUHCYWEPHE-MHZLTWQESA-N 1 0 412.577 5.746 40 0 HKABRO Cc1ccc([C@H](NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c2ccccc2)cc1 ZINC000020106598 525968239 /nfs/dbraw/zinc/96/82/39/525968239.db2.gz BNMKWUHCYWEPHE-HHHXNRCGSA-N 1 0 412.577 5.746 40 0 HKABRO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020108065 558334256 /nfs/dbraw/zinc/33/42/56/558334256.db2.gz KRIGMOUQOFFNRJ-RUZDIDTESA-N 1 0 408.586 5.444 40 0 HKABRO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020108067 558334261 /nfs/dbraw/zinc/33/42/61/558334261.db2.gz KRIGMOUQOFFNRJ-VWLOTQADSA-N 1 0 408.586 5.444 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1 ZINC000020111755 558336039 /nfs/dbraw/zinc/33/60/39/558336039.db2.gz UBCRTHPEGBADCR-UHFFFAOYSA-N 1 0 400.522 5.963 40 0 HKABRO Cc1[nH]c2ccccc2c1[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020192169 558756189 /nfs/dbraw/zinc/75/61/89/558756189.db2.gz BKGZPUFUYVJRCO-DEOSSOPVSA-N 1 0 405.542 5.589 40 0 HKABRO Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020192173 558756284 /nfs/dbraw/zinc/75/62/84/558756284.db2.gz BKGZPUFUYVJRCO-XMMPIXPASA-N 1 0 405.542 5.589 40 0 HKABRO Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000020239932 560883272 /nfs/dbraw/zinc/88/32/72/560883272.db2.gz YAYDCFSWPVGCPE-UHFFFAOYSA-N 1 0 412.577 5.380 40 0 HKABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000020239935 560883221 /nfs/dbraw/zinc/88/32/21/560883221.db2.gz ZFLRUGICGGYDHI-JOCHJYFZSA-N 1 0 412.577 5.632 40 0 HKABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000020239938 560883238 /nfs/dbraw/zinc/88/32/38/560883238.db2.gz ZFLRUGICGGYDHI-QFIPXVFZSA-N 1 0 412.577 5.632 40 0 HKABRO CC(C)C(NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)C(C)C ZINC000020239941 560883257 /nfs/dbraw/zinc/88/32/57/560883257.db2.gz XVVPTDYIAVWOMV-UHFFFAOYSA-N 1 0 406.614 5.552 40 0 HKABRO O=C(Nc1ccccc1F)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000020239944 560883330 /nfs/dbraw/zinc/88/33/30/560883330.db2.gz JNWZWTSKYQYAFV-UHFFFAOYSA-N 1 0 402.513 5.533 40 0 HKABRO CC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000020241741 569349568 /nfs/dbraw/zinc/34/95/68/569349568.db2.gz MUFBQRATIGEXFQ-UHFFFAOYSA-N 1 0 413.565 5.385 40 0 HKABRO O=C(Nc1cccc2ccccc21)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020241748 569349602 /nfs/dbraw/zinc/34/96/02/569349602.db2.gz JPDCXAWPWIAFOV-UHFFFAOYSA-N 1 0 421.544 5.414 40 0 HKABRO O=C(Nc1ccc2ccccc2c1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020241750 569349627 /nfs/dbraw/zinc/34/96/27/569349627.db2.gz XVZBPUVIFOQTPZ-UHFFFAOYSA-N 1 0 421.544 5.414 40 0 HKABRO Cc1cc(C)cc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000020241889 560883248 /nfs/dbraw/zinc/88/32/48/560883248.db2.gz MOUKXJARSVHTPR-UHFFFAOYSA-N 1 0 412.577 6.010 40 0 HKABRO O=C(Nc1cccc(Cl)c1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000020241893 560883292 /nfs/dbraw/zinc/88/32/92/560883292.db2.gz VQWVXUHAOWHOGW-UHFFFAOYSA-N 1 0 418.968 6.047 40 0 HKABRO O=C(Nc1ccc(Cl)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000020241894 560883412 /nfs/dbraw/zinc/88/34/12/560883412.db2.gz ZCRHRXJRKWAJCU-UHFFFAOYSA-N 1 0 418.968 6.047 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)CC1 ZINC000020451566 558366005 /nfs/dbraw/zinc/36/60/05/558366005.db2.gz AXUFSGUJXHJCNZ-UHFFFAOYSA-N 1 0 421.766 5.587 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)CC1 ZINC000020451755 558366095 /nfs/dbraw/zinc/36/60/95/558366095.db2.gz DPWYZYBZZNYBLC-UHFFFAOYSA-N 1 0 402.991 5.094 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC000020452861 558367150 /nfs/dbraw/zinc/36/71/50/558367150.db2.gz FCPSOVJQHGQXIX-OAQYLSRUSA-N 1 0 414.549 5.750 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC000020452863 558367054 /nfs/dbraw/zinc/36/70/54/558367054.db2.gz FCPSOVJQHGQXIX-NRFANRHFSA-N 1 0 414.549 5.750 40 0 HKABRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1Br ZINC000020454914 558368688 /nfs/dbraw/zinc/36/86/88/558368688.db2.gz GQAIGPBSIWGDLD-UHFFFAOYSA-N 1 0 401.348 5.242 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)CC1 ZINC000020455107 558369044 /nfs/dbraw/zinc/36/90/44/558369044.db2.gz GIOYVXVWMJSMEY-UHFFFAOYSA-N 1 0 417.018 5.235 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)C1 ZINC000020455627 558369128 /nfs/dbraw/zinc/36/91/28/558369128.db2.gz RHKQMEGZCTWPJU-GOSISDBHSA-N 1 0 417.018 5.235 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)C1 ZINC000020455629 558369207 /nfs/dbraw/zinc/36/92/07/558369207.db2.gz RHKQMEGZCTWPJU-SFHVURJKSA-N 1 0 417.018 5.235 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)CC1 ZINC000020456310 558369697 /nfs/dbraw/zinc/36/96/97/558369697.db2.gz RSEZEBWLUMFNDR-UHFFFAOYSA-N 1 0 410.867 5.843 40 0 HKABRO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020457818 558370688 /nfs/dbraw/zinc/37/06/88/558370688.db2.gz QBRWXEPMTCLOIM-OAQYLSRUSA-N 1 0 408.586 5.068 40 0 HKABRO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020457820 558370626 /nfs/dbraw/zinc/37/06/26/558370626.db2.gz QBRWXEPMTCLOIM-NRFANRHFSA-N 1 0 408.586 5.068 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)CC1 ZINC000020460432 558372612 /nfs/dbraw/zinc/37/26/12/558372612.db2.gz UXXLGBIWJKTTGE-UHFFFAOYSA-N 1 0 417.018 5.235 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)C1 ZINC000020461076 558373088 /nfs/dbraw/zinc/37/30/88/558373088.db2.gz YLICDWSGMAJGDR-CQSZACIVSA-N 1 0 405.311 5.072 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)C1 ZINC000020461078 558373042 /nfs/dbraw/zinc/37/30/42/558373042.db2.gz YLICDWSGMAJGDR-AWEZNQCLSA-N 1 0 405.311 5.072 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)CC1 ZINC000020481259 558375243 /nfs/dbraw/zinc/37/52/43/558375243.db2.gz ZDLHVIHYEUNVIF-UHFFFAOYSA-N 1 0 412.577 5.761 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)C1 ZINC000020483795 558375702 /nfs/dbraw/zinc/37/57/02/558375702.db2.gz QVZQVYMJSVHPLP-HXUWFJFHSA-N 1 0 416.590 6.322 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)C1 ZINC000020483797 524094872 /nfs/dbraw/zinc/09/48/72/524094872.db2.gz QVZQVYMJSVHPLP-FQEVSTJZSA-N 1 0 416.590 6.322 40 0 HKABRO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000020487276 558376737 /nfs/dbraw/zinc/37/67/37/558376737.db2.gz MITWHZVPIJQAIS-MHZLTWQESA-N 1 0 412.577 5.746 40 0 HKABRO Cc1ccccc1[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000020487279 558376714 /nfs/dbraw/zinc/37/67/14/558376714.db2.gz MITWHZVPIJQAIS-HHHXNRCGSA-N 1 0 412.577 5.746 40 0 HKABRO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020491470 558378203 /nfs/dbraw/zinc/37/82/03/558378203.db2.gz MQACNSIEWQLTOA-CJFMBICVSA-N 1 0 408.586 5.444 40 0 HKABRO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020491472 558378189 /nfs/dbraw/zinc/37/81/89/558378189.db2.gz MQACNSIEWQLTOA-NLFFAJNJSA-N 1 0 408.586 5.444 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)CC1 ZINC000020493350 558379057 /nfs/dbraw/zinc/37/90/57/558379057.db2.gz IQGCDSUIBXTJLS-UHFFFAOYSA-N 1 0 417.018 5.235 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)C1 ZINC000020495143 558380250 /nfs/dbraw/zinc/38/02/50/558380250.db2.gz IJHYFOAPQNBHAV-GOSISDBHSA-N 1 0 417.018 5.235 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)C1 ZINC000020495145 558380207 /nfs/dbraw/zinc/38/02/07/558380207.db2.gz IJHYFOAPQNBHAV-SFHVURJKSA-N 1 0 417.018 5.235 40 0 HKABRO O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503171 575369193 /nfs/dbraw/zinc/36/91/93/575369193.db2.gz PHXDDHVGVJHDDK-GBXCKJPGSA-N 1 0 424.519 5.427 40 0 biogenic,in-vitro HKABRO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000020503192 575369253 /nfs/dbraw/zinc/36/92/53/575369253.db2.gz NUEWBOYMFXLQKW-FUHWJXTLSA-N 1 0 418.587 5.411 40 0 biogenic,in-vitro HKABRO O=c1ccc(-c2ccc3ccccc3c2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503374 575369658 /nfs/dbraw/zinc/36/96/58/575369658.db2.gz JLAUUROJJUMJGH-GBXCKJPGSA-N 1 0 424.519 5.427 40 0 biogenic,in-vitro HKABRO Fc1ccc([C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000022051458 558459828 /nfs/dbraw/zinc/45/98/28/558459828.db2.gz AGTKMLMRHVWXHN-URXFXBBRSA-N 1 0 419.496 5.239 40 0 in-vitro HKABRO C[NH+](C)CCOc1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1 ZINC000022053149 558459924 /nfs/dbraw/zinc/45/99/24/558459924.db2.gz IAJYQHATSIOBSH-WCWDXBQESA-N 1 0 422.366 5.939 40 0 in-vitro HKABRO Clc1ccc(COc2ccccc2C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000022073763 558461925 /nfs/dbraw/zinc/46/19/25/558461925.db2.gz CTWNXNWIAKILPR-UHFFFAOYSA-N 1 0 416.392 6.631 40 0 HKABRO Clc1ccc(COc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)c(Cl)c1 ZINC000022073765 558461987 /nfs/dbraw/zinc/46/19/87/558461987.db2.gz CLKIELCAYDJFCE-UHFFFAOYSA-N 1 0 416.392 6.487 40 0 HKABRO Clc1ccc(COc2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1 ZINC000022073780 558461935 /nfs/dbraw/zinc/46/19/35/558461935.db2.gz JUGBHRGQRKVLBK-UHFFFAOYSA-N 1 0 416.392 6.631 40 0 HKABRO Clc1ccc(COc2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2)c(Cl)c1 ZINC000022073782 558461957 /nfs/dbraw/zinc/46/19/57/558461957.db2.gz AHLTZXPFTYICOL-UHFFFAOYSA-N 1 0 416.392 6.487 40 0 HKABRO Clc1ccc(COc2cccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 ZINC000022073818 558461930 /nfs/dbraw/zinc/46/19/30/558461930.db2.gz BWZUTRBHFVULMS-UHFFFAOYSA-N 1 0 416.392 6.631 40 0 HKABRO Clc1ccc(COc2cccc(C[NH2+]C3C4CC5CC(C4)CC3C5)c2)c(Cl)c1 ZINC000022073820 558461954 /nfs/dbraw/zinc/46/19/54/558461954.db2.gz MIBCXUSGDVORLY-UHFFFAOYSA-N 1 0 416.392 6.487 40 0 HKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022073898 558462214 /nfs/dbraw/zinc/46/22/14/558462214.db2.gz DZJMMIWVEIRNMR-UHFFFAOYSA-N 1 0 416.392 6.631 40 0 HKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073901 558462247 /nfs/dbraw/zinc/46/22/47/558462247.db2.gz GFMLEVNZCRBWIR-UHFFFAOYSA-N 1 0 416.392 6.487 40 0 HKABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000022073903 558462256 /nfs/dbraw/zinc/46/22/56/558462256.db2.gz BDXKTXKUHFYAKO-UHFFFAOYSA-N 1 0 416.392 6.631 40 0 HKABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000022073905 558462280 /nfs/dbraw/zinc/46/22/80/558462280.db2.gz GWZAVALJSCYFSZ-UHFFFAOYSA-N 1 0 416.392 6.487 40 0 HKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000022073928 558462168 /nfs/dbraw/zinc/46/21/68/558462168.db2.gz XLBULQDICCHSMQ-UHFFFAOYSA-N 1 0 406.740 6.516 40 0 HKABRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000022074205 558462250 /nfs/dbraw/zinc/46/22/50/558462250.db2.gz MVDDTXCMPXGHAZ-OAHLLOKOSA-N 1 0 420.767 7.077 40 0 HKABRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000022074207 558462198 /nfs/dbraw/zinc/46/21/98/558462198.db2.gz MVDDTXCMPXGHAZ-HNNXBMFYSA-N 1 0 420.767 7.077 40 0 HKABRO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022074231 558462229 /nfs/dbraw/zinc/46/22/29/558462229.db2.gz APNVEQQHOLNPHQ-UHFFFAOYSA-N 1 0 424.766 5.722 40 0 HKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCC2)c(Cl)c1 ZINC000022074241 558462205 /nfs/dbraw/zinc/46/22/05/558462205.db2.gz STFUJRQRGICVJR-UHFFFAOYSA-N 1 0 400.349 6.758 40 0 HKABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022074295 558462188 /nfs/dbraw/zinc/46/21/88/558462188.db2.gz FHXRIGFJRQDYDV-UHFFFAOYSA-N 1 0 413.920 5.789 40 0 HKABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022074299 558462130 /nfs/dbraw/zinc/46/21/30/558462130.db2.gz CDJQDOIMSCKVJO-UHFFFAOYSA-N 1 0 413.920 5.789 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022074301 558462226 /nfs/dbraw/zinc/46/22/26/558462226.db2.gz MPXQQAIDSNIIFH-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022074303 558462145 /nfs/dbraw/zinc/46/21/45/558462145.db2.gz NTIQWKRGGDIPBI-UHFFFAOYSA-N 1 0 416.348 5.913 40 0 HKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc(Cl)cc1 ZINC000022074464 558462232 /nfs/dbraw/zinc/46/22/32/558462232.db2.gz IVDXVFCUFSCVOT-UHFFFAOYSA-N 1 0 413.920 5.789 40 0 HKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccccc1Cl ZINC000022074468 558462263 /nfs/dbraw/zinc/46/22/63/558462263.db2.gz FJEUUGDCYNMTBM-UHFFFAOYSA-N 1 0 413.920 5.789 40 0 HKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccccc1 ZINC000022074530 558462235 /nfs/dbraw/zinc/46/22/35/558462235.db2.gz AWCQYDRSZSTKAY-UHFFFAOYSA-N 1 0 413.920 5.789 40 0 HKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 ZINC000022074531 558462243 /nfs/dbraw/zinc/46/22/43/558462243.db2.gz MWKZIGAVZFTJFE-UHFFFAOYSA-N 1 0 413.920 5.789 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022074562 558462260 /nfs/dbraw/zinc/46/22/60/558462260.db2.gz MCHLLNDXMJSVEV-UHFFFAOYSA-N 1 0 417.883 5.538 40 0 HKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022074564 558462150 /nfs/dbraw/zinc/46/21/50/558462150.db2.gz XSKUXFYQYVDZNM-UHFFFAOYSA-N 1 0 417.883 5.538 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccccc1F ZINC000022074567 558462181 /nfs/dbraw/zinc/46/21/81/558462181.db2.gz JAUHWEUMOMPSLW-UHFFFAOYSA-N 1 0 417.883 5.538 40 0 HKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000022074569 558462362 /nfs/dbraw/zinc/46/23/62/558462362.db2.gz FMHHJAFSXFWBDJ-UHFFFAOYSA-N 1 0 417.883 5.538 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc(F)cc1Cl ZINC000022074737 558462409 /nfs/dbraw/zinc/46/24/09/558462409.db2.gz QOZRTEKJMMVOFW-UHFFFAOYSA-N 1 0 417.883 5.538 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1c(F)cccc1Cl ZINC000022074739 558462345 /nfs/dbraw/zinc/46/23/45/558462345.db2.gz CWJBFPGDQVAZSB-UHFFFAOYSA-N 1 0 417.883 5.538 40 0 HKABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022074940 568473904 /nfs/dbraw/zinc/47/39/04/568473904.db2.gz PEOCFLFGVYDLHU-UHFFFAOYSA-N 1 0 411.373 5.012 40 0 HKABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000022074944 568473995 /nfs/dbraw/zinc/47/39/95/568473995.db2.gz WBQTUSCGERLRLP-UHFFFAOYSA-N 1 0 411.373 5.012 40 0 HKABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022075123 568473972 /nfs/dbraw/zinc/47/39/72/568473972.db2.gz XMDZGULREKUXKB-UHFFFAOYSA-N 1 0 411.373 5.012 40 0 HKABRO CC[NH+](CC)CCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000022075208 568473901 /nfs/dbraw/zinc/47/39/01/568473901.db2.gz KTHIQTDZIOYMIS-UHFFFAOYSA-N 1 0 411.373 5.012 40 0 HKABRO CN(C)CC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022075234 558462504 /nfs/dbraw/zinc/46/25/04/558462504.db2.gz OXWNIZGQTPDVEU-UHFFFAOYSA-N 1 0 403.353 5.377 40 0 HKABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022075357 558462428 /nfs/dbraw/zinc/46/24/28/558462428.db2.gz HCJUOPUMPOIYRZ-JOCHJYFZSA-N 1 0 411.929 5.141 40 0 HKABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022075359 558462349 /nfs/dbraw/zinc/46/23/49/558462349.db2.gz HCJUOPUMPOIYRZ-QFIPXVFZSA-N 1 0 411.929 5.141 40 0 HKABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022075371 558462328 /nfs/dbraw/zinc/46/23/28/558462328.db2.gz ZGEZJSSJMQOZGU-JOCHJYFZSA-N 1 0 411.929 5.141 40 0 HKABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022075373 558462413 /nfs/dbraw/zinc/46/24/13/558462413.db2.gz ZGEZJSSJMQOZGU-QFIPXVFZSA-N 1 0 411.929 5.141 40 0 HKABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022075629 558462542 /nfs/dbraw/zinc/46/25/42/558462542.db2.gz ADCHWFRDWXVFPI-JOCHJYFZSA-N 1 0 411.929 5.141 40 0 HKABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022075631 558462393 /nfs/dbraw/zinc/46/23/93/558462393.db2.gz ADCHWFRDWXVFPI-QFIPXVFZSA-N 1 0 411.929 5.141 40 0 HKABRO CC[NH+](CC)CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022075731 568474001 /nfs/dbraw/zinc/47/40/01/568474001.db2.gz IHIPZSCDOBUCRF-UHFFFAOYSA-N 1 0 411.373 5.012 40 0 HKABRO CC[NH+](CC)CCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022075742 568473947 /nfs/dbraw/zinc/47/39/47/568473947.db2.gz PELRANJLUMTSJW-UHFFFAOYSA-N 1 0 411.373 5.012 40 0 HKABRO CC[NH+](CC)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075828 568474087 /nfs/dbraw/zinc/47/40/87/568474087.db2.gz ALUFWQHKXCZSCG-UHFFFAOYSA-N 1 0 415.792 5.657 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC ZINC000022076505 558462834 /nfs/dbraw/zinc/46/28/34/558462834.db2.gz GJNMTEBUVFVGKY-UHFFFAOYSA-N 1 0 406.309 5.603 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1OC ZINC000022076552 558462790 /nfs/dbraw/zinc/46/27/90/558462790.db2.gz OQGLAUBUFNNQOG-UHFFFAOYSA-N 1 0 406.309 5.603 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)cc1OC ZINC000022076606 558462820 /nfs/dbraw/zinc/46/28/20/558462820.db2.gz XIWYBLQPGOBUMN-UHFFFAOYSA-N 1 0 416.315 5.059 40 0 HKABRO Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000022076729 558462731 /nfs/dbraw/zinc/46/27/31/558462731.db2.gz BKLJAWCJKOSQRZ-UHFFFAOYSA-N 1 0 420.767 6.824 40 0 HKABRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC ZINC000022076818 558462741 /nfs/dbraw/zinc/46/27/41/558462741.db2.gz IPFHZQYGZQRCAC-UHFFFAOYSA-N 1 0 406.309 5.603 40 0 HKABRO COc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1cccs1 ZINC000022107553 568475402 /nfs/dbraw/zinc/47/54/02/568475402.db2.gz JVFHQLWRCDQLAH-UHFFFAOYSA-N 1 0 405.922 5.461 40 0 HKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1cccs1 ZINC000022107558 568475364 /nfs/dbraw/zinc/47/53/64/568475364.db2.gz GTXOIDRPGRBEDD-UHFFFAOYSA-N 1 0 405.922 5.461 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107563 568475371 /nfs/dbraw/zinc/47/53/71/568475371.db2.gz FKNRXMIRVXGEBF-YCRPNKLZSA-N 1 0 417.958 5.201 40 0 HKABRO COc1cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107569 568475346 /nfs/dbraw/zinc/47/53/46/568475346.db2.gz FKNRXMIRVXGEBF-QVKFZJNVSA-N 1 0 417.958 5.201 40 0 HKABRO COc1cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107576 568475432 /nfs/dbraw/zinc/47/54/32/568475432.db2.gz FKNRXMIRVXGEBF-BTYIYWSLSA-N 1 0 417.958 5.201 40 0 HKABRO COc1cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107582 568475351 /nfs/dbraw/zinc/47/53/51/568475351.db2.gz FKNRXMIRVXGEBF-VFNWGFHPSA-N 1 0 417.958 5.201 40 0 HKABRO COc1ccccc1N1C[C@](O)(c2ccc(-c3ccccc3)cc2)[N+]2=C1CCCCC2 ZINC000022408203 568767534 /nfs/dbraw/zinc/76/75/34/568767534.db2.gz PCFNHUBZCPRJHC-MHZLTWQESA-N 1 0 413.541 5.013 40 0 HKABRO COc1ccccc1N1C[C@@](O)(c2ccc(-c3ccccc3)cc2)[N+]2=C1CCCCC2 ZINC000022408206 568767664 /nfs/dbraw/zinc/76/76/64/568767664.db2.gz PCFNHUBZCPRJHC-HHHXNRCGSA-N 1 0 413.541 5.013 40 0 HKABRO CCc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408552 568767610 /nfs/dbraw/zinc/76/76/10/568767610.db2.gz DBLZYMIKBGPCIU-NDEPHWFRSA-N 1 0 411.569 5.566 40 0 HKABRO CCc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408555 568767554 /nfs/dbraw/zinc/76/75/54/568767554.db2.gz DBLZYMIKBGPCIU-MUUNZHRXSA-N 1 0 411.569 5.566 40 0 HKABRO COc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408628 568767527 /nfs/dbraw/zinc/76/75/27/568767527.db2.gz KUMHIOXCBVEJJT-MHZLTWQESA-N 1 0 413.541 5.013 40 0 HKABRO COc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408631 568767661 /nfs/dbraw/zinc/76/76/61/568767661.db2.gz KUMHIOXCBVEJJT-HHHXNRCGSA-N 1 0 413.541 5.013 40 0 HKABRO C(=C/c1ccccc1)\CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022454226 558490244 /nfs/dbraw/zinc/49/02/44/558490244.db2.gz XFBDGHFDKJITGC-JLHYYAGUSA-N 1 0 412.577 5.124 40 0 in-vitro HKABRO c1ccc(-c2ccc(-c3nc4sc5ccccc5n4c3CN3CC[NH2+]CC3)cc2)cc1 ZINC000022464804 558491041 /nfs/dbraw/zinc/49/10/41/558491041.db2.gz DTVFBENNLPAZRA-UHFFFAOYSA-N 1 0 424.573 5.288 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)C1 ZINC000022510265 558492697 /nfs/dbraw/zinc/49/26/97/558492697.db2.gz PDLVYAJZIQIWNL-GOSISDBHSA-N 1 0 417.018 5.235 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)C1 ZINC000022510269 558492723 /nfs/dbraw/zinc/49/27/23/558492723.db2.gz PDLVYAJZIQIWNL-SFHVURJKSA-N 1 0 417.018 5.235 40 0 HKABRO CC(C)C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000022516350 558493984 /nfs/dbraw/zinc/49/39/84/558493984.db2.gz LGKPNGXMBPOISF-HHHXNRCGSA-N 1 0 412.577 5.762 40 0 HKABRO CC(C)C[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000022516355 558493945 /nfs/dbraw/zinc/49/39/45/558493945.db2.gz LGKPNGXMBPOISF-MHZLTWQESA-N 1 0 412.577 5.762 40 0 HKABRO Cc1ccc([C@@H](NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c2ccccc2)cc1 ZINC000022517874 558494152 /nfs/dbraw/zinc/49/41/52/558494152.db2.gz KUXDYOVTSDCGFH-AMGIVPHBSA-N 1 0 412.577 5.746 40 0 HKABRO Cc1ccc([C@@H](NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c2ccccc2)cc1 ZINC000022517883 569349775 /nfs/dbraw/zinc/34/97/75/569349775.db2.gz KUXDYOVTSDCGFH-CUNXSJBXSA-N 1 0 412.577 5.746 40 0 HKABRO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OCC ZINC000022523212 558495264 /nfs/dbraw/zinc/49/52/64/558495264.db2.gz QTJONOACMCLQLQ-HXUWFJFHSA-N 1 0 424.585 5.207 40 0 HKABRO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OCC ZINC000022523216 558495128 /nfs/dbraw/zinc/49/51/28/558495128.db2.gz QTJONOACMCLQLQ-FQEVSTJZSA-N 1 0 424.585 5.207 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)C1 ZINC000022524387 558495496 /nfs/dbraw/zinc/49/54/96/558495496.db2.gz NODNFDOQZHXXNJ-HSZRJFAPSA-N 1 0 412.577 5.761 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)C1 ZINC000022524393 558495476 /nfs/dbraw/zinc/49/54/76/558495476.db2.gz NODNFDOQZHXXNJ-QHCPKHFHSA-N 1 0 412.577 5.761 40 0 HKABRO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022524418 558495471 /nfs/dbraw/zinc/49/54/71/558495471.db2.gz KCOXJOMBCFDQRP-LJQANCHMSA-N 1 0 408.542 5.128 40 0 HKABRO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022524426 558495401 /nfs/dbraw/zinc/49/54/01/558495401.db2.gz KCOXJOMBCFDQRP-IBGZPJMESA-N 1 0 408.542 5.128 40 0 HKABRO CCSc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022529161 558496599 /nfs/dbraw/zinc/49/65/99/558496599.db2.gz JFLIHVLURPZOPY-UHFFFAOYSA-N 1 0 402.563 5.609 40 0 HKABRO CCCC[NH+](CCCC)CCN[C@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000022859491 558517517 /nfs/dbraw/zinc/51/75/17/558517517.db2.gz PDWJGSPICZTZEA-XMMPIXPASA-N 1 0 403.010 5.930 40 0 HKABRO CN1CC[NH+](CCS[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000022862314 558517471 /nfs/dbraw/zinc/51/74/71/558517471.db2.gz JZTQXLGXJLBLFI-OAQYLSRUSA-N 1 0 405.032 5.069 40 0 HKABRO CCN(CC)CC[NH2+][C@H](Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000022871027 558518036 /nfs/dbraw/zinc/51/80/36/558518036.db2.gz ZPOYFNXJMYZMJI-HHHXNRCGSA-N 1 0 402.582 5.481 40 0 HKABRO c1ccc(C[C@@H](NCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000023478473 558559544 /nfs/dbraw/zinc/55/95/44/558559544.db2.gz MLOAIMHDNLNGIR-RNPORBBMSA-N 1 0 420.600 6.134 40 0 HKABRO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc12 ZINC000026440764 568547153 /nfs/dbraw/zinc/54/71/53/568547153.db2.gz OUOHVCYIKJVGRA-UHFFFAOYSA-N 1 0 412.965 5.087 40 0 HKABRO Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH2+]C4CCCCC4)cc23)cc1 ZINC000026440807 568547184 /nfs/dbraw/zinc/54/71/84/568547184.db2.gz DXDLHUPKVWVLAN-UHFFFAOYSA-N 1 0 412.537 5.112 40 0 HKABRO O[C@@H](C[NH2+]Cc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000026897938 569059990 /nfs/dbraw/zinc/05/99/90/569059990.db2.gz KMHZEIBEUBYGQT-NDEPHWFRSA-N 1 0 423.556 5.146 40 0 HKABRO CC[NH+](CC)CCCN(C)Cc1c(Cl)c(-c2ccccc2)oc1-c1ccccc1 ZINC000027438888 558673142 /nfs/dbraw/zinc/67/31/42/558673142.db2.gz DWHUTCHVMNOMRX-UHFFFAOYSA-N 1 0 410.989 6.431 40 0 HKABRO CCCCCC[NH+]1CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC000028048375 558690366 /nfs/dbraw/zinc/69/03/66/558690366.db2.gz GGQDUYSCJOTOCP-UHFFFAOYSA-N 1 0 408.977 5.653 40 0 HKABRO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220391 558693172 /nfs/dbraw/zinc/69/31/72/558693172.db2.gz HRYVSDWFCQECLV-HSZRJFAPSA-N 1 0 418.968 5.458 40 0 HKABRO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220396 558693134 /nfs/dbraw/zinc/69/31/34/558693134.db2.gz HRYVSDWFCQECLV-QHCPKHFHSA-N 1 0 418.968 5.458 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220590 558693038 /nfs/dbraw/zinc/69/30/38/558693038.db2.gz MUFBUKBKCFCXON-HXUWFJFHSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220594 558693061 /nfs/dbraw/zinc/69/30/61/558693061.db2.gz MUFBUKBKCFCXON-FQEVSTJZSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000028296074 558698792 /nfs/dbraw/zinc/69/87/92/558698792.db2.gz DVARHSQEVMHKGG-JOCHJYFZSA-N 1 0 423.944 5.342 40 0 HKABRO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000028296076 558699024 /nfs/dbraw/zinc/69/90/24/558699024.db2.gz DVARHSQEVMHKGG-QFIPXVFZSA-N 1 0 423.944 5.342 40 0 HKABRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccc2)CC1 ZINC000028296182 558699037 /nfs/dbraw/zinc/69/90/37/558699037.db2.gz SFZVWOPOLZLNES-QFIPXVFZSA-N 1 0 423.944 5.198 40 0 HKABRO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccc2)CC1 ZINC000028296184 558699050 /nfs/dbraw/zinc/69/90/50/558699050.db2.gz SFZVWOPOLZLNES-JOCHJYFZSA-N 1 0 423.944 5.198 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC000030752237 558736255 /nfs/dbraw/zinc/73/62/55/558736255.db2.gz JJNHABUTVJTDPJ-UHFFFAOYSA-N 1 0 410.867 5.843 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 ZINC000030753742 558736408 /nfs/dbraw/zinc/73/64/08/558736408.db2.gz SDTJSRFTXCQIHT-CQSZACIVSA-N 1 0 410.867 5.843 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 ZINC000030753745 558736430 /nfs/dbraw/zinc/73/64/30/558736430.db2.gz SDTJSRFTXCQIHT-AWEZNQCLSA-N 1 0 410.867 5.843 40 0 HKABRO CCOC(=O)c1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1Cl ZINC000030755777 558737092 /nfs/dbraw/zinc/73/70/92/558737092.db2.gz AMDHZDRUTIEQMP-MRXNPFEDSA-N 1 0 414.933 5.001 40 0 HKABRO CCOC(=O)c1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1Cl ZINC000030755781 558737113 /nfs/dbraw/zinc/73/71/13/558737113.db2.gz AMDHZDRUTIEQMP-INIZCTEOSA-N 1 0 414.933 5.001 40 0 HKABRO CC[NH+](CC)Cc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000030756556 558737350 /nfs/dbraw/zinc/73/73/50/558737350.db2.gz XVZYYWLRVJWWHF-UHFFFAOYSA-N 1 0 411.398 5.707 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)C1 ZINC000030757129 558737302 /nfs/dbraw/zinc/73/73/02/558737302.db2.gz MMAIHESNGNEKJT-QGZVFWFLSA-N 1 0 402.991 5.094 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)C1 ZINC000030757133 558737506 /nfs/dbraw/zinc/73/75/06/558737506.db2.gz MMAIHESNGNEKJT-KRWDZBQOSA-N 1 0 402.991 5.094 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1 ZINC000030758304 558737769 /nfs/dbraw/zinc/73/77/69/558737769.db2.gz PSINYQCYYUMRMO-HXUWFJFHSA-N 1 0 400.522 5.963 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1 ZINC000030758307 558737719 /nfs/dbraw/zinc/73/77/19/558737719.db2.gz PSINYQCYYUMRMO-FQEVSTJZSA-N 1 0 400.522 5.963 40 0 HKABRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000030870673 558743409 /nfs/dbraw/zinc/74/34/09/558743409.db2.gz XEUYLLDMWLLROE-UHFFFAOYSA-N 1 0 410.539 5.122 40 0 HKABRO CC1=C[C@@H](C[NH2+]Cc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882829 291290619 /nfs/dbraw/zinc/29/06/19/291290619.db2.gz KJWFYERPERHVLL-FIXSFTCYSA-N 1 0 416.569 5.319 40 0 biogenic,in-vitro HKABRO CC1=C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882836 291290625 /nfs/dbraw/zinc/29/06/25/291290625.db2.gz CTDZLRSFKCRXKA-HJOGWXRNSA-N 1 0 416.569 5.319 40 0 biogenic,in-vitro HKABRO CC1=C[C@@H](C[NH+]2CCC(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 ZINC000030882918 291290331 /nfs/dbraw/zinc/29/03/31/291290331.db2.gz RJHNPRNIIGGZDE-VABKMULXSA-N 1 0 408.590 5.261 40 0 biogenic,in-vitro HKABRO CC1=C[C@@H](C[NH2+]C(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(Cc2c[nH]c3ccccc23)o1 ZINC000030883002 291290334 /nfs/dbraw/zinc/29/03/34/291290334.db2.gz RIBLYRBLWMJIFN-JTAQYXEDSA-N 1 0 420.601 5.537 40 0 biogenic,in-vitro HKABRO CC1=C[C@@H](C[NH2+]Cc2ccco2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883405 291290628 /nfs/dbraw/zinc/29/06/28/291290628.db2.gz NTZNHDRFYLVBMV-IPJJNNNSSA-N 1 0 423.532 5.656 40 0 biogenic,in-vitro HKABRO CC1=C[C@@H](C[N@H+](C)Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883589 291290328 /nfs/dbraw/zinc/29/03/28/291290328.db2.gz YYKVSYYALWSRHE-FKBYEOEOSA-N 1 0 410.606 5.291 40 0 biogenic,in-vitro HKABRO O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030937850 558744903 /nfs/dbraw/zinc/74/49/03/558744903.db2.gz HMNAITQXMBMCTC-OAQYLSRUSA-N 1 0 402.563 5.689 40 0 HKABRO O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030937853 558744969 /nfs/dbraw/zinc/74/49/69/558744969.db2.gz HMNAITQXMBMCTC-NRFANRHFSA-N 1 0 402.563 5.689 40 0 HKABRO O=C(Nc1ccc(Br)cc1F)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030938599 558745163 /nfs/dbraw/zinc/74/51/63/558745163.db2.gz QPQFINKURHFZEX-UHFFFAOYSA-N 1 0 405.311 5.217 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)CC1 ZINC000030938602 558745182 /nfs/dbraw/zinc/74/51/82/558745182.db2.gz MMPOLVZSMPURPE-UHFFFAOYSA-N 1 0 405.311 5.072 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030941348 558745556 /nfs/dbraw/zinc/74/55/56/558745556.db2.gz KGFHIZFJQKIYCG-HXUWFJFHSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030941351 558745665 /nfs/dbraw/zinc/74/56/65/558745665.db2.gz KGFHIZFJQKIYCG-FQEVSTJZSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030941396 558745609 /nfs/dbraw/zinc/74/56/09/558745609.db2.gz KYKMLZGHJJVSAM-HXUWFJFHSA-N 1 0 404.485 5.469 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030941399 558745650 /nfs/dbraw/zinc/74/56/50/558745650.db2.gz KYKMLZGHJJVSAM-FQEVSTJZSA-N 1 0 404.485 5.469 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030941450 558745590 /nfs/dbraw/zinc/74/55/90/558745590.db2.gz FHKWONQDIBJTAC-UHFFFAOYSA-N 1 0 400.522 6.107 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)C1 ZINC000030941454 558745601 /nfs/dbraw/zinc/74/56/01/558745601.db2.gz PIYOGOXOFGYONG-HXUWFJFHSA-N 1 0 400.522 5.963 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)C1 ZINC000030941457 558745546 /nfs/dbraw/zinc/74/55/46/558745546.db2.gz PIYOGOXOFGYONG-FQEVSTJZSA-N 1 0 400.522 5.963 40 0 HKABRO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000030943413 558745792 /nfs/dbraw/zinc/74/57/92/558745792.db2.gz BCFBBUMSTQFVNH-UHFFFAOYSA-N 1 0 408.542 5.272 40 0 HKABRO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000030943416 558745826 /nfs/dbraw/zinc/74/58/26/558745826.db2.gz VZJSLJNVTLCUCC-UHFFFAOYSA-N 1 0 408.542 5.128 40 0 HKABRO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030944158 558746230 /nfs/dbraw/zinc/74/62/30/558746230.db2.gz WCCFJGLHGDKCRO-HSZRJFAPSA-N 1 0 418.968 5.458 40 0 HKABRO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030944161 558746202 /nfs/dbraw/zinc/74/62/02/558746202.db2.gz WCCFJGLHGDKCRO-QHCPKHFHSA-N 1 0 418.968 5.458 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)CC1 ZINC000030945651 558746180 /nfs/dbraw/zinc/74/61/80/558746180.db2.gz BAGRBUZOMBKVAJ-UHFFFAOYSA-N 1 0 411.760 6.131 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)C1 ZINC000030945654 558746248 /nfs/dbraw/zinc/74/62/48/558746248.db2.gz SFGLOQFBRJVOQI-CYBMUJFWSA-N 1 0 411.760 6.131 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)C1 ZINC000030945657 558746200 /nfs/dbraw/zinc/74/62/00/558746200.db2.gz SFGLOQFBRJVOQI-ZDUSSCGKSA-N 1 0 411.760 6.131 40 0 HKABRO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000031623388 558751461 /nfs/dbraw/zinc/75/14/61/558751461.db2.gz QASFUMOKHFSJGL-DZIWFSITSA-N 1 0 411.630 5.002 40 0 HKABRO O=C(O[C@@]1(c2nccc3ccccc32)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000031750136 558752146 /nfs/dbraw/zinc/75/21/46/558752146.db2.gz WJRVMNZDYSDDGO-NDEPHWFRSA-N 1 0 422.528 5.583 40 0 HKABRO O=C(O[C@]1(c2nccc3ccccc32)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000031750140 558752112 /nfs/dbraw/zinc/75/21/12/558752112.db2.gz WJRVMNZDYSDDGO-MUUNZHRXSA-N 1 0 422.528 5.583 40 0 HKABRO CN1CC(SCC[NH+](C)C)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1Cl ZINC000031772352 558752436 /nfs/dbraw/zinc/75/24/36/558752436.db2.gz HRCQJFNEZKBERH-HXUWFJFHSA-N 1 0 408.398 5.353 40 0 HKABRO CN1CC(SCC[NH+](C)C)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1Cl ZINC000031772354 558752470 /nfs/dbraw/zinc/75/24/70/558752470.db2.gz HRCQJFNEZKBERH-FQEVSTJZSA-N 1 0 408.398 5.353 40 0 HKABRO c1ccc(CC[NH+](CCc2ccccc2)[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000031924194 526465316 /nfs/dbraw/zinc/46/53/16/526465316.db2.gz QECHIDNDDFXCQK-PMERELPUSA-N 1 0 405.585 6.758 40 0 HKABRO c1ccc(CC[NH+](CCc2ccccc2)[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000031924196 526464616 /nfs/dbraw/zinc/46/46/16/526464616.db2.gz QECHIDNDDFXCQK-SSEXGKCCSA-N 1 0 405.585 6.758 40 0 HKABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000031938110 523343921 /nfs/dbraw/zinc/34/39/21/523343921.db2.gz SUKZMYOUEROBNF-RUZDIDTESA-N 1 0 402.925 5.721 40 0 HKABRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000032502536 520714609 /nfs/dbraw/zinc/71/46/09/520714609.db2.gz YASZXPOSMNZYMX-UHFFFAOYSA-N 1 0 419.451 5.041 40 0 HKABRO C[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000033730908 569351116 /nfs/dbraw/zinc/35/11/16/569351116.db2.gz WGNHRCTVZNBJAS-ACCUITESSA-N 1 0 421.928 5.004 40 0 HKABRO O=C(Nc1cccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000033889247 558772076 /nfs/dbraw/zinc/77/20/76/558772076.db2.gz TZTZSZHTXVSREU-ZNDGRNAPSA-N 1 0 401.554 5.267 40 0 HKABRO Fc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1Cl ZINC000033914222 558772213 /nfs/dbraw/zinc/77/22/13/558772213.db2.gz KPBTYULUNIFINO-OBNJBMLMSA-N 1 0 419.997 5.071 40 0 HKABRO S=C(Nc1cccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000033934788 558772461 /nfs/dbraw/zinc/77/24/61/558772461.db2.gz JYFNVKBMCUQIFK-ZNDGRNAPSA-N 1 0 417.622 5.432 40 0 HKABRO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000034024962 558772735 /nfs/dbraw/zinc/77/27/35/558772735.db2.gz IMTMMGXRAMGUDP-JHXDXHAQSA-N 1 0 424.544 5.135 40 0 HKABRO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000034024964 558772674 /nfs/dbraw/zinc/77/26/74/558772674.db2.gz IMTMMGXRAMGUDP-NXNJFABFSA-N 1 0 424.544 5.135 40 0 HKABRO O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000035310735 557685874 /nfs/dbraw/zinc/68/58/74/557685874.db2.gz SQOUZFIVLCUXOJ-SEJPIABJSA-N 1 0 401.510 5.264 40 0 HKABRO COc1ccccc1-c1ccc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000035316526 569052239 /nfs/dbraw/zinc/05/22/39/569052239.db2.gz QWNVCVNGYVOPRE-UHFFFAOYSA-N 1 0 400.566 5.459 40 0 HKABRO COc1ccccc1-c1ccc(C[NH2+]CC2(c3cccc(F)c3)CCOCC2)cc1 ZINC000035316531 569031429 /nfs/dbraw/zinc/03/14/29/569031429.db2.gz BMMYCROSSAIKHG-UHFFFAOYSA-N 1 0 405.513 5.339 40 0 HKABRO Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)cc2)n1 ZINC000035322619 569052301 /nfs/dbraw/zinc/05/23/01/569052301.db2.gz ZBJFDCXVKWFXPJ-IBGZPJMESA-N 1 0 402.542 5.116 40 0 HKABRO Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)cc2)n1 ZINC000035322622 569052311 /nfs/dbraw/zinc/05/23/11/569052311.db2.gz ZBJFDCXVKWFXPJ-LJQANCHMSA-N 1 0 402.542 5.116 40 0 HKABRO CC1=C[C@@H](C[NH2+]C(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 ZINC000035442677 291290333 /nfs/dbraw/zinc/29/03/33/291290333.db2.gz VWPSYSIVFLNQOP-FUDKSRODSA-N 1 0 410.606 5.198 40 0 biogenic,in-vitro HKABRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000035446716 291298401 /nfs/dbraw/zinc/29/84/01/291298401.db2.gz LNZAMZUGIYSHKJ-ZDUSSCGKSA-N 1 0 413.365 5.590 40 0 biogenic,in-vitro HKABRO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000036067887 569351714 /nfs/dbraw/zinc/35/17/14/569351714.db2.gz MQACNSIEWQLTOA-CPJSRVTESA-N 1 0 408.586 5.444 40 0 HKABRO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OCC ZINC000036092688 569351716 /nfs/dbraw/zinc/35/17/16/569351716.db2.gz MTMTVJTXRVGVQF-VQTJNVASSA-N 1 0 424.585 5.207 40 0 HKABRO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OCC ZINC000036092690 569351704 /nfs/dbraw/zinc/35/17/04/569351704.db2.gz MTMTVJTXRVGVQF-PMACEKPBSA-N 1 0 424.585 5.207 40 0 HKABRO Cc1ccc([C@H](NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c2ccccc2)cc1 ZINC000036124378 569351686 /nfs/dbraw/zinc/35/16/86/569351686.db2.gz KUXDYOVTSDCGFH-WXVAWEFUSA-N 1 0 412.577 5.746 40 0 HKABRO COc1ccccc1C[NH2+][C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000036324026 558933024 /nfs/dbraw/zinc/93/30/24/558933024.db2.gz FLNYLINBEZROPL-VSGBNLITSA-N 1 0 412.577 5.080 40 0 HKABRO CC[C@@H](CO)[NH2+]Cc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Cl ZINC000036612288 558725284 /nfs/dbraw/zinc/72/52/84/558725284.db2.gz QWLHIGLOFCMZQQ-HNNXBMFYSA-N 1 0 418.748 5.095 40 0 HKABRO CC[C@H](CO)[NH2+]Cc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Cl ZINC000036612289 558725343 /nfs/dbraw/zinc/72/53/43/558725343.db2.gz QWLHIGLOFCMZQQ-OAHLLOKOSA-N 1 0 418.748 5.095 40 0 HKABRO CC[NH2+]Cc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br ZINC000036612635 558728019 /nfs/dbraw/zinc/72/80/19/558728019.db2.gz SIYUSPLOXYTPBO-UHFFFAOYSA-N 1 0 419.146 5.453 40 0 HKABRO CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)ccc1O ZINC000036614567 558727731 /nfs/dbraw/zinc/72/77/31/558727731.db2.gz XGYONAAGJOZHRO-CDCUFJRJSA-N 1 0 407.554 5.172 40 0 HKABRO Cc1ccc(CN(CC2([NH+]3CCC(C)CC3)CCCCC2)C(=O)c2ccccc2)cc1 ZINC000036631324 524403718 /nfs/dbraw/zinc/40/37/18/524403718.db2.gz XEOZZIARHDBBOH-UHFFFAOYSA-N 1 0 418.625 6.072 40 0 HKABRO O=C(N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000036734728 558801129 /nfs/dbraw/zinc/80/11/29/558801129.db2.gz RJASJPPNRNWZKT-GMAHTHKFSA-N 1 0 411.977 5.137 40 0 HKABRO O=C(N[C@@H](C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000036734731 558801224 /nfs/dbraw/zinc/80/12/24/558801224.db2.gz RJASJPPNRNWZKT-GGAORHGYSA-N 1 0 411.977 5.137 40 0 HKABRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000036734735 558801148 /nfs/dbraw/zinc/80/11/48/558801148.db2.gz LZRSCGNUDVLUTL-URXFXBBRSA-N 1 0 423.601 5.129 40 0 HKABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000036734740 558801475 /nfs/dbraw/zinc/80/14/75/558801475.db2.gz LZRSCGNUDVLUTL-QPPBQGQZSA-N 1 0 423.601 5.129 40 0 HKABRO COc1ccc2c(c1)c(C[N@H+](CCCn1ccnc1)Cc1ccc(C)s1)c(C)n2C ZINC000036740425 558801658 /nfs/dbraw/zinc/80/16/58/558801658.db2.gz FIFYIQASPPZLAY-UHFFFAOYSA-N 1 0 422.598 5.154 40 0 HKABRO CC1(C)CC(N(Cc2cnn(C3CCCCC3)c2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000036740515 558801898 /nfs/dbraw/zinc/80/18/98/558801898.db2.gz FBCZFVANWFYVBO-UHFFFAOYSA-N 1 0 409.622 5.095 40 0 HKABRO c1ccc([C@@H]2C[N@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CCN2)cc1 ZINC000038545460 558812774 /nfs/dbraw/zinc/81/27/74/558812774.db2.gz KAYYXDPIMIYMRS-NDEPHWFRSA-N 1 0 404.557 5.625 40 0 HKABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(Cl)c1 ZINC000038755248 558814421 /nfs/dbraw/zinc/81/44/21/558814421.db2.gz GXDTUORRRQVAQM-UHFFFAOYSA-N 1 0 414.933 5.001 40 0 HKABRO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000038755674 558814526 /nfs/dbraw/zinc/81/45/26/558814526.db2.gz JDCPDJOHWXSJIJ-UHFFFAOYSA-N 1 0 408.586 5.068 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)C1 ZINC000038772085 558815194 /nfs/dbraw/zinc/81/51/94/558815194.db2.gz XSFZKFJRMYONGR-CQSZACIVSA-N 1 0 421.766 5.587 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)C1 ZINC000038772088 558815187 /nfs/dbraw/zinc/81/51/87/558815187.db2.gz XSFZKFJRMYONGR-AWEZNQCLSA-N 1 0 421.766 5.587 40 0 HKABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833098 558817099 /nfs/dbraw/zinc/81/70/99/558817099.db2.gz RMEZXEZHPWSWCB-RUZDIDTESA-N 1 0 416.540 5.267 40 0 HKABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833099 558817078 /nfs/dbraw/zinc/81/70/78/558817078.db2.gz RMEZXEZHPWSWCB-VWLOTQADSA-N 1 0 416.540 5.267 40 0 HKABRO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833114 558817071 /nfs/dbraw/zinc/81/70/71/558817071.db2.gz FHXOKTNYKIVPFT-UHFFFAOYSA-N 1 0 412.577 5.905 40 0 HKABRO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834057 558817384 /nfs/dbraw/zinc/81/73/84/558817384.db2.gz LERISMKGCVTKFB-GOSISDBHSA-N 1 0 413.348 5.997 40 0 HKABRO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834058 558817394 /nfs/dbraw/zinc/81/73/94/558817394.db2.gz LERISMKGCVTKFB-SFHVURJKSA-N 1 0 413.348 5.997 40 0 HKABRO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834061 558817366 /nfs/dbraw/zinc/81/73/66/558817366.db2.gz UOKNZAIXABFGNA-QGZVFWFLSA-N 1 0 413.348 5.997 40 0 HKABRO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834062 558817357 /nfs/dbraw/zinc/81/73/57/558817357.db2.gz UOKNZAIXABFGNA-KRWDZBQOSA-N 1 0 413.348 5.997 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834397 558817603 /nfs/dbraw/zinc/81/76/03/558817603.db2.gz QPKWYFXYVRRURX-HXUWFJFHSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834398 558817564 /nfs/dbraw/zinc/81/75/64/558817564.db2.gz QPKWYFXYVRRURX-FQEVSTJZSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834401 558817651 /nfs/dbraw/zinc/81/76/51/558817651.db2.gz PTMVOFQIACKCIU-HXUWFJFHSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834402 558817645 /nfs/dbraw/zinc/81/76/45/558817645.db2.gz PTMVOFQIACKCIU-FQEVSTJZSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834415 558817640 /nfs/dbraw/zinc/81/76/40/558817640.db2.gz JXWAWYWWMZWKBL-HXUWFJFHSA-N 1 0 404.485 5.469 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834416 558817573 /nfs/dbraw/zinc/81/75/73/558817573.db2.gz JXWAWYWWMZWKBL-FQEVSTJZSA-N 1 0 404.485 5.469 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038834433 558817561 /nfs/dbraw/zinc/81/75/61/558817561.db2.gz HSFGBYJMKYNYAC-UHFFFAOYSA-N 1 0 400.522 6.107 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)CC1 ZINC000038834434 558817683 /nfs/dbraw/zinc/81/76/83/558817683.db2.gz QSTYUSSWIWPGCK-UHFFFAOYSA-N 1 0 400.522 5.963 40 0 HKABRO O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038836818 558818101 /nfs/dbraw/zinc/81/81/01/558818101.db2.gz PPMRFZWFPSLCHP-KRWDZBQOSA-N 1 0 423.409 5.114 40 0 HKABRO O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038836821 558818093 /nfs/dbraw/zinc/81/80/93/558818093.db2.gz PPMRFZWFPSLCHP-QGZVFWFLSA-N 1 0 423.409 5.114 40 0 HKABRO O=C(NCCSc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038836923 558818115 /nfs/dbraw/zinc/81/81/15/558818115.db2.gz MGSCMMYPYVOTFE-UHFFFAOYSA-N 1 0 402.991 5.238 40 0 HKABRO O=C(NCCSCc1ccccc1Cl)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038837477 558818108 /nfs/dbraw/zinc/81/81/08/558818108.db2.gz OSAPZLZQJKXVRM-UHFFFAOYSA-N 1 0 417.018 5.379 40 0 HKABRO O=C(NCCSCc1cccc(Cl)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038848504 558818321 /nfs/dbraw/zinc/81/83/21/558818321.db2.gz NZFFYGIZEHTDKG-UHFFFAOYSA-N 1 0 417.018 5.379 40 0 HKABRO O=C(NCCSCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038848561 558818347 /nfs/dbraw/zinc/81/83/47/558818347.db2.gz DXGGKOLHESSCRA-UHFFFAOYSA-N 1 0 417.018 5.379 40 0 HKABRO O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848643 558818355 /nfs/dbraw/zinc/81/83/55/558818355.db2.gz PWAWRSINHIRKPX-INIZCTEOSA-N 1 0 411.760 5.175 40 0 HKABRO O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848644 558818237 /nfs/dbraw/zinc/81/82/37/558818237.db2.gz PWAWRSINHIRKPX-MRXNPFEDSA-N 1 0 411.760 5.175 40 0 HKABRO Cc1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1Br ZINC000038850306 558818932 /nfs/dbraw/zinc/81/89/32/558818932.db2.gz ODZKMXBRKWRXRY-HNNXBMFYSA-N 1 0 401.348 5.242 40 0 HKABRO Cc1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1Br ZINC000038850307 558818817 /nfs/dbraw/zinc/81/88/17/558818817.db2.gz ODZKMXBRKWRXRY-OAHLLOKOSA-N 1 0 401.348 5.242 40 0 HKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038850577 558818936 /nfs/dbraw/zinc/81/89/36/558818936.db2.gz HBZCSHRZKUXEFG-AWEZNQCLSA-N 1 0 414.830 5.349 40 0 HKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038850579 558818896 /nfs/dbraw/zinc/81/88/96/558818896.db2.gz HBZCSHRZKUXEFG-CQSZACIVSA-N 1 0 414.830 5.349 40 0 HKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038850604 558818782 /nfs/dbraw/zinc/81/87/82/558818782.db2.gz YMTRDVSSWOSEKT-UHFFFAOYSA-N 1 0 410.867 5.987 40 0 HKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038850664 558818912 /nfs/dbraw/zinc/81/89/12/558818912.db2.gz OEPXIBYIWBDZGB-JOCHJYFZSA-N 1 0 418.512 5.255 40 0 HKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038850666 558818885 /nfs/dbraw/zinc/81/88/85/558818885.db2.gz OEPXIBYIWBDZGB-QFIPXVFZSA-N 1 0 418.512 5.255 40 0 HKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038850693 558818941 /nfs/dbraw/zinc/81/89/41/558818941.db2.gz PSAQYWLKLIAQKT-UHFFFAOYSA-N 1 0 414.549 5.894 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)CC1 ZINC000038850695 558818892 /nfs/dbraw/zinc/81/88/92/558818892.db2.gz ZDWRTBBHNNKKID-UHFFFAOYSA-N 1 0 414.549 5.750 40 0 HKABRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850857 558818840 /nfs/dbraw/zinc/81/88/40/558818840.db2.gz YEVVJHPXJRCLNJ-HSZRJFAPSA-N 1 0 410.989 5.033 40 0 HKABRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850859 558818859 /nfs/dbraw/zinc/81/88/59/558818859.db2.gz YEVVJHPXJRCLNJ-QHCPKHFHSA-N 1 0 410.989 5.033 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)C1 ZINC000038857100 558819344 /nfs/dbraw/zinc/81/93/44/558819344.db2.gz DXZXTQSSTYTNTC-CQSZACIVSA-N 1 0 410.867 5.843 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)C1 ZINC000038857102 558819364 /nfs/dbraw/zinc/81/93/64/558819364.db2.gz DXZXTQSSTYTNTC-AWEZNQCLSA-N 1 0 410.867 5.843 40 0 HKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038860746 558819542 /nfs/dbraw/zinc/81/95/42/558819542.db2.gz HCPZABJXATXVOG-FQEVSTJZSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038860749 558819606 /nfs/dbraw/zinc/81/96/06/558819606.db2.gz HCPZABJXATXVOG-HXUWFJFHSA-N 1 0 420.940 5.983 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000039742165 558686872 /nfs/dbraw/zinc/68/68/72/558686872.db2.gz VFIPMOHBWSKNQB-UHFFFAOYSA-N 1 0 421.766 5.262 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000039744125 558686914 /nfs/dbraw/zinc/68/69/14/558686914.db2.gz CWMQEIXMPGVWNS-UHFFFAOYSA-N 1 0 411.760 5.806 40 0 HKABRO O=C(Nc1ccccc1Sc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039744527 558686907 /nfs/dbraw/zinc/68/69/07/558686907.db2.gz JPYMMEJPXNSGGT-UHFFFAOYSA-N 1 0 420.553 5.828 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039747649 558686812 /nfs/dbraw/zinc/68/68/12/558686812.db2.gz BXCZZYDITYZTHS-UHFFFAOYSA-N 1 0 420.940 5.983 40 0 HKABRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)ccc1Br ZINC000039747760 558686883 /nfs/dbraw/zinc/68/68/83/558686883.db2.gz IBOQFMNUUUOEBH-UHFFFAOYSA-N 1 0 421.766 5.262 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000039748152 558686829 /nfs/dbraw/zinc/68/68/29/558686829.db2.gz VLSDLIGZNDOBFW-UHFFFAOYSA-N 1 0 400.522 5.638 40 0 HKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039748923 558687069 /nfs/dbraw/zinc/68/70/69/558687069.db2.gz PATJGAQPHMCSBB-UHFFFAOYSA-N 1 0 400.522 5.116 40 0 HKABRO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039751141 558687157 /nfs/dbraw/zinc/68/71/57/558687157.db2.gz UXQFDTPIJHEIBY-UHFFFAOYSA-N 1 0 411.760 5.175 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000039753052 558687273 /nfs/dbraw/zinc/68/72/73/558687273.db2.gz IUNZCASMYYYQPD-UHFFFAOYSA-N 1 0 412.577 5.436 40 0 HKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039753502 558687402 /nfs/dbraw/zinc/68/74/02/558687402.db2.gz KEVKQTRMEYTFPX-UHFFFAOYSA-N 1 0 418.512 5.255 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000039754767 558687458 /nfs/dbraw/zinc/68/74/58/558687458.db2.gz QCMHVRYLSRNBNU-UHFFFAOYSA-N 1 0 414.549 5.425 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c1 ZINC000039755240 558687571 /nfs/dbraw/zinc/68/75/71/558687571.db2.gz YRLSAEMMMWTVCF-UHFFFAOYSA-N 1 0 411.760 5.806 40 0 HKABRO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039755286 558687627 /nfs/dbraw/zinc/68/76/27/558687627.db2.gz KIACNCOQGKRKIO-UHFFFAOYSA-N 1 0 416.540 5.267 40 0 HKABRO O=C(NCCSc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039755777 558687636 /nfs/dbraw/zinc/68/76/36/558687636.db2.gz DMQQMMIXOPCLBN-UHFFFAOYSA-N 1 0 423.409 5.114 40 0 HKABRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039755792 558687517 /nfs/dbraw/zinc/68/75/17/558687517.db2.gz UMAYLPRWFSHOLT-UHFFFAOYSA-N 1 0 414.830 5.349 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC000039755955 558687436 /nfs/dbraw/zinc/68/74/36/558687436.db2.gz HRGGKSMLWVMDEP-UHFFFAOYSA-N 1 0 400.522 5.638 40 0 HKABRO O=C(NCCSc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039756104 558687913 /nfs/dbraw/zinc/68/79/13/558687913.db2.gz DEHYRVXTQMETTL-UHFFFAOYSA-N 1 0 423.409 5.114 40 0 HKABRO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000039756992 558687861 /nfs/dbraw/zinc/68/78/61/558687861.db2.gz DJRIVEUAFXUKFQ-UHFFFAOYSA-N 1 0 410.989 5.033 40 0 HKABRO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000039757351 558688474 /nfs/dbraw/zinc/68/84/74/558688474.db2.gz UUMWLJMKHPAVNW-UHFFFAOYSA-N 1 0 411.549 5.665 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000039757881 558689424 /nfs/dbraw/zinc/68/94/24/558689424.db2.gz OKTBMAZJLOSLOY-UHFFFAOYSA-N 1 0 410.867 5.518 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)c1 ZINC000039758550 558689680 /nfs/dbraw/zinc/68/96/80/558689680.db2.gz HMVSIMDNDOQNAY-UHFFFAOYSA-N 1 0 421.766 5.262 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039758593 558689585 /nfs/dbraw/zinc/68/95/85/558689585.db2.gz ZYWLHNKIFGEZQZ-UHFFFAOYSA-N 1 0 404.485 5.469 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000039758757 558689722 /nfs/dbraw/zinc/68/97/22/558689722.db2.gz XCBVXORVYASVCT-UHFFFAOYSA-N 1 0 410.867 5.518 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c1 ZINC000039758832 558689674 /nfs/dbraw/zinc/68/96/74/558689674.db2.gz FLAZHHZODBANMZ-UHFFFAOYSA-N 1 0 400.522 5.638 40 0 HKABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039759351 558689575 /nfs/dbraw/zinc/68/95/75/558689575.db2.gz JXMJUKUUQFIQQB-SFHVURJKSA-N 1 0 413.005 5.727 40 0 HKABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039759352 558689936 /nfs/dbraw/zinc/68/99/36/558689936.db2.gz JXMJUKUUQFIQQB-GOSISDBHSA-N 1 0 413.005 5.727 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000039759741 558689970 /nfs/dbraw/zinc/68/99/70/558689970.db2.gz JWKHFKMBCWMZOG-UHFFFAOYSA-N 1 0 400.522 5.638 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039760086 558685286 /nfs/dbraw/zinc/68/52/86/558685286.db2.gz JRPLUVWTKRMBQX-UHFFFAOYSA-N 1 0 420.940 5.983 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC000039761001 558685434 /nfs/dbraw/zinc/68/54/34/558685434.db2.gz KTNVWZGLOIZHCO-UHFFFAOYSA-N 1 0 414.549 5.425 40 0 HKABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039761061 558685590 /nfs/dbraw/zinc/68/55/90/558685590.db2.gz AEECGAFPERRTAK-SFHVURJKSA-N 1 0 413.005 5.727 40 0 HKABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039761062 558685628 /nfs/dbraw/zinc/68/56/28/558685628.db2.gz AEECGAFPERRTAK-GOSISDBHSA-N 1 0 413.005 5.727 40 0 HKABRO O=C(Nc1ccccc1Oc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039761211 558685613 /nfs/dbraw/zinc/68/56/13/558685613.db2.gz ILXCCTQJTPHOPB-UHFFFAOYSA-N 1 0 404.485 5.469 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000039761730 558685595 /nfs/dbraw/zinc/68/55/95/558685595.db2.gz KMNYQAHWTYGZFF-UHFFFAOYSA-N 1 0 410.867 5.518 40 0 HKABRO O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039761791 558685538 /nfs/dbraw/zinc/68/55/38/558685538.db2.gz JTFSXEJIPZFKPZ-UHFFFAOYSA-N 1 0 418.968 5.458 40 0 HKABRO O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039761835 558685543 /nfs/dbraw/zinc/68/55/43/558685543.db2.gz GQGWROOPMXUFFF-UHFFFAOYSA-N 1 0 418.968 5.458 40 0 HKABRO O=C(Nc1ccccc1Sc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039765551 558685815 /nfs/dbraw/zinc/68/58/15/558685815.db2.gz LAXDSXPMSUSBKC-UHFFFAOYSA-N 1 0 420.553 5.828 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000039767010 558686056 /nfs/dbraw/zinc/68/60/56/558686056.db2.gz GFEPYQCAXVWEJH-UHFFFAOYSA-N 1 0 410.867 5.518 40 0 HKABRO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039767345 558686144 /nfs/dbraw/zinc/68/61/44/558686144.db2.gz JRZYLEUIPIBHMD-UHFFFAOYSA-N 1 0 416.540 5.267 40 0 HKABRO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039768011 558686188 /nfs/dbraw/zinc/68/61/88/558686188.db2.gz GMZDAGSUTYLILK-UHFFFAOYSA-N 1 0 418.512 5.255 40 0 HKABRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039768221 558686382 /nfs/dbraw/zinc/68/63/82/558686382.db2.gz PZHITNLRYJPNNA-UHFFFAOYSA-N 1 0 414.830 5.349 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000039768724 558686259 /nfs/dbraw/zinc/68/62/59/558686259.db2.gz MDKHOINAUNXAGB-UHFFFAOYSA-N 1 0 410.867 5.518 40 0 HKABRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1Br ZINC000039772491 558686376 /nfs/dbraw/zinc/68/63/76/558686376.db2.gz IBQMBHDGRXUOKE-UHFFFAOYSA-N 1 0 421.766 5.262 40 0 HKABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039773217 558686523 /nfs/dbraw/zinc/68/65/23/558686523.db2.gz OQTMKQWHJHXTJG-UHFFFAOYSA-N 1 0 414.830 5.349 40 0 HKABRO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000039773262 558686550 /nfs/dbraw/zinc/68/65/50/558686550.db2.gz QEHDMFHZVXAVRH-UHFFFAOYSA-N 1 0 410.989 5.033 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 ZINC000039773351 558686654 /nfs/dbraw/zinc/68/66/54/558686654.db2.gz LAJWZCYCGKRNLK-UHFFFAOYSA-N 1 0 410.867 5.518 40 0 HKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039773453 558686527 /nfs/dbraw/zinc/68/65/27/558686527.db2.gz YSCLOFJOLYZQKB-UHFFFAOYSA-N 1 0 420.940 5.983 40 0 HKABRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039773469 558686500 /nfs/dbraw/zinc/68/65/00/558686500.db2.gz GRPCVXHQOJBFBZ-UHFFFAOYSA-N 1 0 414.830 5.349 40 0 HKABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc(Cl)c(Cl)c1 ZINC000043277797 524440476 /nfs/dbraw/zinc/44/04/76/524440476.db2.gz BWIWNPBUQAWNIU-UHFFFAOYSA-N 1 0 404.341 5.291 40 0 HKABRO CC(C)C(=O)Oc1ccc(CO)cc1[C@@H](CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000044020354 558834693 /nfs/dbraw/zinc/83/46/93/558834693.db2.gz DCCSDBARQIPTGU-QHCPKHFHSA-N 1 0 411.586 5.381 40 0 in-vitro HKABRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)c3ccc(F)cc3)ccc21 ZINC000044699405 524058093 /nfs/dbraw/zinc/05/80/93/524058093.db2.gz VANASPLZPFPNRL-SANMLTNESA-N 1 0 421.487 5.311 40 0 in-vitro HKABRO CCCOc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044851637 520473835 /nfs/dbraw/zinc/47/38/35/520473835.db2.gz SGSWKSCXAVXJSO-UHFFFAOYSA-N 1 0 408.586 5.214 40 0 HKABRO CCCOc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044851639 520474789 /nfs/dbraw/zinc/47/47/89/520474789.db2.gz PEVMIRSQLXVBMS-UHFFFAOYSA-N 1 0 408.586 5.070 40 0 HKABRO CCCOc1ccccc1CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044851641 520473652 /nfs/dbraw/zinc/47/36/52/520473652.db2.gz KUVDLDSWCYFJPX-NRFANRHFSA-N 1 0 408.586 5.070 40 0 HKABRO CCCOc1ccccc1CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044851643 520474516 /nfs/dbraw/zinc/47/45/16/520474516.db2.gz KUVDLDSWCYFJPX-OAQYLSRUSA-N 1 0 408.586 5.070 40 0 HKABRO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[NH+]3CCCCCC3)cc1)CC(C)(C)O2 ZINC000044855273 526208745 /nfs/dbraw/zinc/20/87/45/526208745.db2.gz APMJMOHLONLIAD-HSZRJFAPSA-N 1 0 406.570 5.403 40 0 HKABRO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[NH+]3CCCCCC3)cc1)CC(C)(C)O2 ZINC000044855274 526188601 /nfs/dbraw/zinc/18/86/01/526188601.db2.gz APMJMOHLONLIAD-QHCPKHFHSA-N 1 0 406.570 5.403 40 0 HKABRO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[NH+]3CCC(C)CC3)cc1)CC(C)(C)O2 ZINC000044855275 526207314 /nfs/dbraw/zinc/20/73/14/526207314.db2.gz HKGXSUPLOVCWHO-HSZRJFAPSA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[NH+]3CCC(C)CC3)cc1)CC(C)(C)O2 ZINC000044855276 526189467 /nfs/dbraw/zinc/18/94/67/526189467.db2.gz HKGXSUPLOVCWHO-QHCPKHFHSA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@H+]3CCC[C@H](C)C3)cc1)CC(C)(C)O2 ZINC000044855277 569352026 /nfs/dbraw/zinc/35/20/26/569352026.db2.gz QQZHQQHBXOESPU-WMZHIEFXSA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@H+]3CCC[C@H](C)C3)cc1)CC(C)(C)O2 ZINC000044855278 569352011 /nfs/dbraw/zinc/35/20/11/569352011.db2.gz QQZHQQHBXOESPU-CVDCTZTESA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044855423 526173748 /nfs/dbraw/zinc/17/37/48/526173748.db2.gz ROCPLPHFEQAFGF-QHCPKHFHSA-N 1 0 406.570 5.403 40 0 HKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044855424 526174814 /nfs/dbraw/zinc/17/48/14/526174814.db2.gz ROCPLPHFEQAFGF-HSZRJFAPSA-N 1 0 406.570 5.403 40 0 HKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044855425 526173530 /nfs/dbraw/zinc/17/35/30/526173530.db2.gz WEGBNGXACATARR-QHCPKHFHSA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044855426 526173838 /nfs/dbraw/zinc/17/38/38/526173838.db2.gz WEGBNGXACATARR-HSZRJFAPSA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044855427 569352002 /nfs/dbraw/zinc/35/20/02/569352002.db2.gz UBJHGPYOOZQIBJ-CVDCTZTESA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044855428 569351984 /nfs/dbraw/zinc/35/19/84/569351984.db2.gz UBJHGPYOOZQIBJ-WMZHIEFXSA-N 1 0 406.570 5.259 40 0 HKABRO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[NH+]3CCCCCC3)cc1)CC(C)(C)O2 ZINC000044855565 525573496 /nfs/dbraw/zinc/57/34/96/525573496.db2.gz WATYWFKUCCLRLX-QHCPKHFHSA-N 1 0 422.569 5.103 40 0 HKABRO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[NH+]3CCCCCC3)cc1)CC(C)(C)O2 ZINC000044855566 525586189 /nfs/dbraw/zinc/58/61/89/525586189.db2.gz WATYWFKUCCLRLX-HSZRJFAPSA-N 1 0 422.569 5.103 40 0 HKABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044855707 525553682 /nfs/dbraw/zinc/55/36/82/525553682.db2.gz TZIGBAXAXOFDTP-QHCPKHFHSA-N 1 0 422.569 5.103 40 0 HKABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044855708 525553649 /nfs/dbraw/zinc/55/36/49/525553649.db2.gz TZIGBAXAXOFDTP-HSZRJFAPSA-N 1 0 422.569 5.103 40 0 HKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(C)c(C)c1 ZINC000044856565 522532064 /nfs/dbraw/zinc/53/20/64/522532064.db2.gz VTHZOTYILVZLNB-MHZLTWQESA-N 1 0 412.577 5.743 40 0 HKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(C)c(C)c1 ZINC000044856566 522782730 /nfs/dbraw/zinc/78/27/30/522782730.db2.gz VTHZOTYILVZLNB-HHHXNRCGSA-N 1 0 412.577 5.743 40 0 HKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(C)cc1C ZINC000044856723 522532369 /nfs/dbraw/zinc/53/23/69/522532369.db2.gz WXWRYKBGUHYHQD-MHZLTWQESA-N 1 0 412.577 5.743 40 0 HKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(C)cc1C ZINC000044856724 522782458 /nfs/dbraw/zinc/78/24/58/522782458.db2.gz WXWRYKBGUHYHQD-HHHXNRCGSA-N 1 0 412.577 5.743 40 0 HKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000044857203 526656075 /nfs/dbraw/zinc/65/60/75/526656075.db2.gz IYZKXONSQNOBDZ-UHFFFAOYSA-N 1 0 416.590 5.505 40 0 HKABRO O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857220 527022224 /nfs/dbraw/zinc/02/22/24/527022224.db2.gz UXBHCDANIMAKGF-UHFFFAOYSA-N 1 0 423.409 5.139 40 0 HKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1SCc1ccccc1 ZINC000044872084 526656303 /nfs/dbraw/zinc/65/63/03/526656303.db2.gz NSAOBRXUDDNMGJ-UHFFFAOYSA-N 1 0 416.590 5.505 40 0 HKABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872985 522920121 /nfs/dbraw/zinc/92/01/21/522920121.db2.gz NLBJRBZKNOBBAH-NRFANRHFSA-N 1 0 402.991 5.123 40 0 HKABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872990 523079732 /nfs/dbraw/zinc/07/97/32/523079732.db2.gz NLBJRBZKNOBBAH-OAQYLSRUSA-N 1 0 402.991 5.123 40 0 HKABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873254 527608233 /nfs/dbraw/zinc/60/82/33/527608233.db2.gz DTWKHPCIEPVNPV-PKNBQFBNSA-N 1 0 403.353 5.309 40 0 HKABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873274 525986494 /nfs/dbraw/zinc/98/64/94/525986494.db2.gz WFMWFWHDFWCDKY-KRWDZBQOSA-N 1 0 402.991 5.123 40 0 HKABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873279 525986398 /nfs/dbraw/zinc/98/63/98/525986398.db2.gz WFMWFWHDFWCDKY-QGZVFWFLSA-N 1 0 402.991 5.123 40 0 HKABRO O=C(CCSc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873354 526541685 /nfs/dbraw/zinc/54/16/85/526541685.db2.gz IBHOYNHIWDQONM-UHFFFAOYSA-N 1 0 402.991 5.125 40 0 HKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000044873384 526655757 /nfs/dbraw/zinc/65/57/57/526655757.db2.gz HJDCXBFYOPYFRZ-XIEYBQDHSA-N 1 0 400.522 5.123 40 0 HKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000044873425 526656067 /nfs/dbraw/zinc/65/60/67/526656067.db2.gz HRGCYIUVFGOAPM-NHFJDJAPSA-N 1 0 410.561 5.530 40 0 HKABRO O=C(CSCc1c(F)cccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873447 527021380 /nfs/dbraw/zinc/02/13/80/527021380.db2.gz TXRLVMLBCAFSHC-UHFFFAOYSA-N 1 0 420.981 5.015 40 0 HKABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874690 525929151 /nfs/dbraw/zinc/92/91/51/525929151.db2.gz OZABJSLBBHTNKO-FQEVSTJZSA-N 1 0 408.586 5.054 40 0 HKABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874694 525923165 /nfs/dbraw/zinc/92/31/65/525923165.db2.gz OZABJSLBBHTNKO-HXUWFJFHSA-N 1 0 408.586 5.054 40 0 HKABRO Cc1cc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(C)c1Cl ZINC000044874709 525378624 /nfs/dbraw/zinc/37/86/24/525378624.db2.gz ZHVRRCKQOXECDC-IBGZPJMESA-N 1 0 414.977 5.026 40 0 HKABRO Cc1cc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(C)c1Cl ZINC000044874714 525381803 /nfs/dbraw/zinc/38/18/03/525381803.db2.gz ZHVRRCKQOXECDC-LJQANCHMSA-N 1 0 414.977 5.026 40 0 HKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000044875001 526658312 /nfs/dbraw/zinc/65/83/12/526658312.db2.gz BSVUOQILTIEQSN-UHFFFAOYSA-N 1 0 414.549 5.182 40 0 HKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1OCc1ccccc1 ZINC000044875010 526657631 /nfs/dbraw/zinc/65/76/31/526657631.db2.gz MMOYAVRZBYQPLA-UHFFFAOYSA-N 1 0 414.549 5.182 40 0 HKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1CCc1ccccc1 ZINC000044875024 526657494 /nfs/dbraw/zinc/65/74/94/526657494.db2.gz TYAJCLWPUSXKJI-UHFFFAOYSA-N 1 0 412.577 5.388 40 0 HKABRO O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875106 526324280 /nfs/dbraw/zinc/32/42/80/526324280.db2.gz DSSZSSGNRPVGEO-UHFFFAOYSA-N 1 0 412.577 5.511 40 0 HKABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875328 522887213 /nfs/dbraw/zinc/88/72/13/522887213.db2.gz WGSDSGUAIQXHPI-VWLOTQADSA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875331 523055715 /nfs/dbraw/zinc/05/57/15/523055715.db2.gz WGSDSGUAIQXHPI-RUZDIDTESA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875334 522878686 /nfs/dbraw/zinc/87/86/86/522878686.db2.gz SLEYPZFMTCVCPR-SANMLTNESA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875337 523046362 /nfs/dbraw/zinc/04/63/62/523046362.db2.gz SLEYPZFMTCVCPR-AREMUKBSSA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875358 522918538 /nfs/dbraw/zinc/91/85/38/522918538.db2.gz ZKFGQILUSKIOPO-QFIPXVFZSA-N 1 0 417.018 5.513 40 0 HKABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875362 523080282 /nfs/dbraw/zinc/08/02/82/523080282.db2.gz ZKFGQILUSKIOPO-JOCHJYFZSA-N 1 0 417.018 5.513 40 0 HKABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905989 525138363 /nfs/dbraw/zinc/13/83/63/525138363.db2.gz REZZNYQNGPCGNY-GHTZIAJQSA-N 1 0 413.005 5.727 40 0 HKABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905991 525268101 /nfs/dbraw/zinc/26/81/01/525268101.db2.gz REZZNYQNGPCGNY-WIYYLYMNSA-N 1 0 413.005 5.727 40 0 HKABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905993 569352063 /nfs/dbraw/zinc/35/20/63/569352063.db2.gz REZZNYQNGPCGNY-RXVVDRJESA-N 1 0 413.005 5.727 40 0 HKABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905995 569352091 /nfs/dbraw/zinc/35/20/91/569352091.db2.gz REZZNYQNGPCGNY-NQIIRXRSSA-N 1 0 413.005 5.727 40 0 HKABRO O=C(NCCCc1ccccc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044906296 526279327 /nfs/dbraw/zinc/27/93/27/526279327.db2.gz PNUHWCTVBXMHRQ-UHFFFAOYSA-N 1 0 418.968 5.261 40 0 HKABRO O=C(NCCCc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044906429 526272624 /nfs/dbraw/zinc/27/26/24/526272624.db2.gz XLIHTGDFRULCFF-UHFFFAOYSA-N 1 0 418.968 5.261 40 0 HKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000044915820 525134834 /nfs/dbraw/zinc/13/48/34/525134834.db2.gz VCECMQZQJIBGEZ-UHFFFAOYSA-N 1 0 412.533 5.077 40 0 HKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)c1 ZINC000044915824 524386810 /nfs/dbraw/zinc/38/68/10/524386810.db2.gz XZSLHWFBXRXVQF-UHFFFAOYSA-N 1 0 412.533 5.077 40 0 HKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)cc1 ZINC000044915828 524438483 /nfs/dbraw/zinc/43/84/83/524438483.db2.gz JHSMPLRETDRTBG-UHFFFAOYSA-N 1 0 412.533 5.077 40 0 HKABRO O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044915916 527410202 /nfs/dbraw/zinc/41/02/02/527410202.db2.gz KBFQDFWYOANADS-UHFFFAOYSA-N 1 0 412.533 5.546 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)CC1 ZINC000044915920 521025602 /nfs/dbraw/zinc/02/56/02/521025602.db2.gz CIXGFOBRSTVDJU-UHFFFAOYSA-N 1 0 412.533 5.402 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)C1 ZINC000044915923 524234167 /nfs/dbraw/zinc/23/41/67/524234167.db2.gz WYAROWJYFCXZCH-HXUWFJFHSA-N 1 0 412.533 5.402 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)C1 ZINC000044915927 524095641 /nfs/dbraw/zinc/09/56/41/524095641.db2.gz WYAROWJYFCXZCH-FQEVSTJZSA-N 1 0 412.533 5.402 40 0 HKABRO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044916236 519782859 /nfs/dbraw/zinc/78/28/59/519782859.db2.gz AQURBMZQYYDLNR-UHFFFAOYSA-N 1 0 408.586 5.212 40 0 HKABRO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000044916240 519782742 /nfs/dbraw/zinc/78/27/42/519782742.db2.gz OYRWWBMIRLWEDG-UHFFFAOYSA-N 1 0 408.586 5.068 40 0 HKABRO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044916245 519782763 /nfs/dbraw/zinc/78/27/63/519782763.db2.gz BEWBLPJNSZHNKT-OAQYLSRUSA-N 1 0 408.586 5.068 40 0 HKABRO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044916250 519782746 /nfs/dbraw/zinc/78/27/46/519782746.db2.gz BEWBLPJNSZHNKT-NRFANRHFSA-N 1 0 408.586 5.068 40 0 HKABRO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044916552 519778944 /nfs/dbraw/zinc/77/89/44/519778944.db2.gz MXSYDLDYMJKZKJ-UHFFFAOYSA-N 1 0 408.586 5.212 40 0 HKABRO O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044917059 527246059 /nfs/dbraw/zinc/24/60/59/527246059.db2.gz AOGFYBYDQNIODI-IBGZPJMESA-N 1 0 412.961 5.512 40 0 HKABRO O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044917064 527244526 /nfs/dbraw/zinc/24/45/26/527244526.db2.gz AOGFYBYDQNIODI-LJQANCHMSA-N 1 0 412.961 5.512 40 0 HKABRO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044917182 527243869 /nfs/dbraw/zinc/24/38/69/527243869.db2.gz SQJYAAYEPHCSCI-UHFFFAOYSA-N 1 0 412.961 5.512 40 0 HKABRO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044917186 527244548 /nfs/dbraw/zinc/24/45/48/527244548.db2.gz JORPHLAEKYMDTQ-UHFFFAOYSA-N 1 0 412.961 5.512 40 0 HKABRO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044917191 527244194 /nfs/dbraw/zinc/24/41/94/527244194.db2.gz KEPYRPTUWKJQGW-UHFFFAOYSA-N 1 0 412.961 5.512 40 0 HKABRO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044933878 521222283 /nfs/dbraw/zinc/22/22/83/521222283.db2.gz FSAVPHWIRKWHAV-HXUWFJFHSA-N 1 0 414.549 5.135 40 0 HKABRO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044933881 521256463 /nfs/dbraw/zinc/25/64/63/521256463.db2.gz FSAVPHWIRKWHAV-FQEVSTJZSA-N 1 0 414.549 5.135 40 0 HKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)cc1 ZINC000044936482 522531759 /nfs/dbraw/zinc/53/17/59/522531759.db2.gz YIZBLLGBTGKNPO-SANMLTNESA-N 1 0 414.549 5.135 40 0 HKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)cc1 ZINC000044936485 522782669 /nfs/dbraw/zinc/78/26/69/522782669.db2.gz YIZBLLGBTGKNPO-AREMUKBSSA-N 1 0 414.549 5.135 40 0 HKABRO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044937235 525346073 /nfs/dbraw/zinc/34/60/73/525346073.db2.gz DPULBXZNXOCJFP-VWLOTQADSA-N 1 0 408.586 5.119 40 0 HKABRO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044937238 525174108 /nfs/dbraw/zinc/17/41/08/525174108.db2.gz DPULBXZNXOCJFP-RUZDIDTESA-N 1 0 408.586 5.119 40 0 HKABRO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000044937241 525345670 /nfs/dbraw/zinc/34/56/70/525345670.db2.gz KTOJGGBXVUOWDC-VWLOTQADSA-N 1 0 408.586 5.119 40 0 HKABRO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000044937244 525174090 /nfs/dbraw/zinc/17/40/90/525174090.db2.gz KTOJGGBXVUOWDC-RUZDIDTESA-N 1 0 408.586 5.119 40 0 HKABRO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000044937247 525345748 /nfs/dbraw/zinc/34/57/48/525345748.db2.gz WEZWNVFSVHXFNL-VWLOTQADSA-N 1 0 408.586 5.119 40 0 HKABRO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000044937250 525173124 /nfs/dbraw/zinc/17/31/24/525173124.db2.gz WEZWNVFSVHXFNL-RUZDIDTESA-N 1 0 408.586 5.119 40 0 HKABRO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044937367 525349243 /nfs/dbraw/zinc/34/92/43/525349243.db2.gz JTFIXBNSEAHWHB-VWLOTQADSA-N 1 0 408.586 5.588 40 0 HKABRO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044937370 525175287 /nfs/dbraw/zinc/17/52/87/525175287.db2.gz JTFIXBNSEAHWHB-RUZDIDTESA-N 1 0 408.586 5.588 40 0 HKABRO Cc1ccccc1[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000044937731 569352147 /nfs/dbraw/zinc/35/21/47/569352147.db2.gz OEBLEUHGAQJGLD-KDYSTLNUSA-N 1 0 412.577 5.746 40 0 HKABRO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000044937734 569352132 /nfs/dbraw/zinc/35/21/32/569352132.db2.gz OEBLEUHGAQJGLD-IDISGSTGSA-N 1 0 412.577 5.746 40 0 HKABRO CCOC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)ccc1Cl ZINC000044939694 521442004 /nfs/dbraw/zinc/44/20/04/521442004.db2.gz SLJZXSHKPSKSDJ-UHFFFAOYSA-N 1 0 414.933 5.145 40 0 HKABRO CCOC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1Cl ZINC000044939697 521442110 /nfs/dbraw/zinc/44/21/10/521442110.db2.gz DVLHFQYACVDYFD-UHFFFAOYSA-N 1 0 414.933 5.001 40 0 HKABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1Cl ZINC000044939929 521515122 /nfs/dbraw/zinc/51/51/22/521515122.db2.gz SHIOVVVTUHTBJG-UHFFFAOYSA-N 1 0 414.933 5.145 40 0 HKABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(Cl)c1 ZINC000044940182 521514230 /nfs/dbraw/zinc/51/42/30/521514230.db2.gz YEUREGYNMHRVAH-INIZCTEOSA-N 1 0 414.933 5.001 40 0 HKABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(Cl)c1 ZINC000044940186 521514508 /nfs/dbraw/zinc/51/45/08/521514508.db2.gz YEUREGYNMHRVAH-MRXNPFEDSA-N 1 0 414.933 5.001 40 0 HKABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2cccs2)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171560 291288479 /nfs/dbraw/zinc/28/84/79/291288479.db2.gz DHMVCFLWCOPWNK-VXKWHMMOSA-N 1 0 421.610 5.031 40 0 biogenic,in-vitro HKABRO c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-c3ccncc3)nc2)no1 ZINC000049590615 291299245 /nfs/dbraw/zinc/29/92/45/291299245.db2.gz JMSUFOLIQHCXDH-QHCPKHFHSA-N 1 0 422.492 5.012 40 0 biogenic,in-vitro HKABRO O=C(NCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccs1 ZINC000057462813 568493303 /nfs/dbraw/zinc/49/33/03/568493303.db2.gz SDCAEXLFMZYIIN-UHFFFAOYSA-N 1 0 412.558 5.060 40 0 HKABRO c1ccc(C2=C[C@H]([NH2+]C34CC5CC(CC(C5)C3)C4)n3c4ccccc4nc3S2)cc1 ZINC000057576171 558889267 /nfs/dbraw/zinc/88/92/67/558889267.db2.gz QOFFTRXDOYSPKN-YSRWDZFWSA-N 1 0 413.590 6.240 40 0 HKABRO c1ccc(C2=C[C@@H]([NH2+]C34CC5CC(CC(C5)C3)C4)n3c4ccccc4nc3S2)cc1 ZINC000057576175 558889200 /nfs/dbraw/zinc/88/92/00/558889200.db2.gz QOFFTRXDOYSPKN-XJVZSZGSSA-N 1 0 413.590 6.240 40 0 HKABRO COc1ccc(CC[NH2+]Cc2cc3sccc3n2Cc2ccc(F)cc2)cc1OC ZINC000057710089 568495943 /nfs/dbraw/zinc/49/59/43/568495943.db2.gz ZYXCYCHXCSXEJX-UHFFFAOYSA-N 1 0 424.541 5.240 40 0 HKABRO CCOc1ccc2cc(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057718345 568495988 /nfs/dbraw/zinc/49/59/88/568495988.db2.gz PPLMCAKCQLLEBD-HDICACEKSA-N 1 0 405.542 5.021 40 0 HKABRO CCOc1ccc2cc(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057718355 568496122 /nfs/dbraw/zinc/49/61/22/568496122.db2.gz PPLMCAKCQLLEBD-ROUUACIJSA-N 1 0 405.542 5.021 40 0 HKABRO CCOc1ccc2cc(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057718362 568496112 /nfs/dbraw/zinc/49/61/12/568496112.db2.gz PPLMCAKCQLLEBD-QZTJIDSGSA-N 1 0 405.542 5.021 40 0 HKABRO CCOc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718398 568496196 /nfs/dbraw/zinc/49/61/96/568496196.db2.gz CXUUXRNIKSHXFZ-HDICACEKSA-N 1 0 405.542 5.021 40 0 HKABRO CCOc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718407 568496201 /nfs/dbraw/zinc/49/62/01/568496201.db2.gz CXUUXRNIKSHXFZ-ROUUACIJSA-N 1 0 405.542 5.021 40 0 HKABRO CCOc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)cc2c1 ZINC000057718420 568496125 /nfs/dbraw/zinc/49/61/25/568496125.db2.gz CXUUXRNIKSHXFZ-QZTJIDSGSA-N 1 0 405.542 5.021 40 0 HKABRO COc1ccc2c(c1)NC1(CC[NH+](CCCCOc3ccccc3)CC1)c1cccn1-2 ZINC000057719401 569053704 /nfs/dbraw/zinc/05/37/04/569053704.db2.gz LDDORPBSLWMJFU-UHFFFAOYSA-N 1 0 417.553 5.062 40 0 HKABRO C[C@@H]1CN(Cc2ccccc2F)CC[N@@H+]1Cc1ccc2c(c1)c1ccccc1n2C ZINC000057731463 568496501 /nfs/dbraw/zinc/49/65/01/568496501.db2.gz VWUHOHYUGQNLLV-LJQANCHMSA-N 1 0 401.529 5.177 40 0 HKABRO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH+](Cc4ccccc4F)CC3)c12 ZINC000057731742 568496516 /nfs/dbraw/zinc/49/65/16/568496516.db2.gz HSNLSLMRVBIGNO-UHFFFAOYSA-N 1 0 422.548 5.346 40 0 HKABRO Clc1nc2c(cc1C[NH+]1CCCCC1)c(-c1ccccc1)nn2-c1ccccc1 ZINC000057740255 568495411 /nfs/dbraw/zinc/49/54/11/568495411.db2.gz KCZLKZHGFKXSBM-UHFFFAOYSA-N 1 0 402.929 5.727 40 0 HKABRO CC1CC[NH+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)CC1 ZINC000057740287 568495419 /nfs/dbraw/zinc/49/54/19/568495419.db2.gz IIETXYYBRSZARZ-UHFFFAOYSA-N 1 0 416.956 5.973 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740296 568495379 /nfs/dbraw/zinc/49/53/79/568495379.db2.gz DVXJUFRORUULMV-GOSISDBHSA-N 1 0 416.956 5.973 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740303 568495422 /nfs/dbraw/zinc/49/54/22/568495422.db2.gz DVXJUFRORUULMV-SFHVURJKSA-N 1 0 416.956 5.973 40 0 HKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000057774456 568497494 /nfs/dbraw/zinc/49/74/94/568497494.db2.gz XWIWNSJKYYQGFI-HNNXBMFYSA-N 1 0 419.447 5.247 40 0 HKABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000057774457 568497453 /nfs/dbraw/zinc/49/74/53/568497453.db2.gz XWIWNSJKYYQGFI-OAHLLOKOSA-N 1 0 419.447 5.247 40 0 HKABRO COc1ccc(C[NH+]2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c(C)c1C ZINC000057774523 568497467 /nfs/dbraw/zinc/49/74/67/568497467.db2.gz PFNPUWNVOMANEB-UHFFFAOYSA-N 1 0 417.475 5.587 40 0 HKABRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000057774802 568497402 /nfs/dbraw/zinc/49/74/02/568497402.db2.gz CGJGZEUKMNJJMJ-NOZRDPDXSA-N 1 0 421.629 5.853 40 0 HKABRO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000057774806 568497437 /nfs/dbraw/zinc/49/74/37/568497437.db2.gz CGJGZEUKMNJJMJ-ZCYQVOJMSA-N 1 0 421.629 5.853 40 0 HKABRO Cc1c(C(=O)Nc2ccc(C[N@H+]3[C@H](C)CCC[C@@H]3C)cc2)n[nH]c1-c1cccs1 ZINC000057775350 558890264 /nfs/dbraw/zinc/89/02/64/558890264.db2.gz DLNGSMQFSBACTF-IYBDPMFKSA-N 1 0 408.571 5.462 40 0 HKABRO Cc1c(C(=O)Nc2ccc(C[NH+]3[C@@H](C)CCC[C@@H]3C)cc2)n[nH]c1-c1cccs1 ZINC000057775353 558890253 /nfs/dbraw/zinc/89/02/53/558890253.db2.gz DLNGSMQFSBACTF-HOTGVXAUSA-N 1 0 408.571 5.462 40 0 HKABRO Cc1c(C(=O)Nc2ccc(C[NH+]3[C@H](C)CCC[C@H]3C)cc2)n[nH]c1-c1cccs1 ZINC000057775356 558890169 /nfs/dbraw/zinc/89/01/69/558890169.db2.gz DLNGSMQFSBACTF-HZPDHXFCSA-N 1 0 408.571 5.462 40 0 HKABRO Cc1cc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000057775398 568860549 /nfs/dbraw/zinc/86/05/49/568860549.db2.gz FTZWVFRXNYQBPK-UHFFFAOYSA-N 1 0 420.488 5.432 40 0 HKABRO CC(=O)N(C)C1CCC2(CC1)C[N@H+](C/C(C)=C\c1ccccc1)Cc1ccccc1O2 ZINC000057775401 569053730 /nfs/dbraw/zinc/05/37/30/569053730.db2.gz FUCAIUUHJNOCSC-FXBPSFAMSA-N 1 0 418.581 5.144 40 0 HKABRO CC(C)(NC(=O)c1c(F)cccc1NCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000066089362 568940765 /nfs/dbraw/zinc/94/07/65/568940765.db2.gz AWMOZVYIJQIDRV-UHFFFAOYSA-N 1 0 417.956 5.042 40 0 HKABRO c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](COc3ccc4c(c3)OCO4)C2)cc1 ZINC000067665274 558754461 /nfs/dbraw/zinc/75/44/61/558754461.db2.gz UMGXHHAKAJMOIQ-UPVQGACJSA-N 1 0 401.506 5.100 40 0 in-vitro HKABRO O[C@H]1CCCC[C@H]1[N@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 ZINC000068605817 558863940 /nfs/dbraw/zinc/86/39/40/558863940.db2.gz TYXBYAIWRNBADF-WDYNHAJCSA-N 1 0 424.588 5.995 40 0 HKABRO O[C@H]1CCCC[C@@H]1[N@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 ZINC000068605821 558863957 /nfs/dbraw/zinc/86/39/57/558863957.db2.gz TYXBYAIWRNBADF-VMPREFPWSA-N 1 0 424.588 5.995 40 0 HKABRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000070451129 291296824 /nfs/dbraw/zinc/29/68/24/291296824.db2.gz XYNPYHXGMWJBLV-MFRNJXNGSA-N 1 0 415.662 5.367 40 0 biogenic,in-vitro HKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214547 559168346 /nfs/dbraw/zinc/16/83/46/559168346.db2.gz APBKRMQOYMSBRA-QFIPXVFZSA-N 1 0 409.574 5.816 40 0 HKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214548 559168285 /nfs/dbraw/zinc/16/82/85/559168285.db2.gz APBKRMQOYMSBRA-JOCHJYFZSA-N 1 0 409.574 5.816 40 0 HKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214584 559168343 /nfs/dbraw/zinc/16/83/43/559168343.db2.gz RFZBXWIERCMQNQ-QHCPKHFHSA-N 1 0 423.601 6.206 40 0 HKABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214585 559168333 /nfs/dbraw/zinc/16/83/33/559168333.db2.gz RFZBXWIERCMQNQ-HSZRJFAPSA-N 1 0 423.601 6.206 40 0 HKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214704 559168435 /nfs/dbraw/zinc/16/84/35/559168435.db2.gz GWWJUKROMPTCCU-QFIPXVFZSA-N 1 0 409.574 5.960 40 0 HKABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214705 559168415 /nfs/dbraw/zinc/16/84/15/559168415.db2.gz GWWJUKROMPTCCU-JOCHJYFZSA-N 1 0 409.574 5.960 40 0 HKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214764 559168470 /nfs/dbraw/zinc/16/84/70/559168470.db2.gz CVSROGPRUMEGQE-QFIPXVFZSA-N 1 0 409.574 5.960 40 0 HKABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214765 559168477 /nfs/dbraw/zinc/16/84/77/559168477.db2.gz CVSROGPRUMEGQE-JOCHJYFZSA-N 1 0 409.574 5.960 40 0 HKABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214884 559168603 /nfs/dbraw/zinc/16/86/03/559168603.db2.gz XOTYMNDGHAVWSK-QFIPXVFZSA-N 1 0 409.574 5.959 40 0 HKABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214885 559168653 /nfs/dbraw/zinc/16/86/53/559168653.db2.gz XOTYMNDGHAVWSK-JOCHJYFZSA-N 1 0 409.574 5.959 40 0 HKABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214944 559168578 /nfs/dbraw/zinc/16/85/78/559168578.db2.gz YLPGNVDRCHFSEY-QFIPXVFZSA-N 1 0 409.574 5.959 40 0 HKABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072214945 559168645 /nfs/dbraw/zinc/16/86/45/559168645.db2.gz YLPGNVDRCHFSEY-JOCHJYFZSA-N 1 0 409.574 5.959 40 0 HKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214967 559168632 /nfs/dbraw/zinc/16/86/32/559168632.db2.gz IUMZVCNXUXNRNG-QFIPXVFZSA-N 1 0 409.574 5.960 40 0 HKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214968 559168561 /nfs/dbraw/zinc/16/85/61/559168561.db2.gz IUMZVCNXUXNRNG-JOCHJYFZSA-N 1 0 409.574 5.960 40 0 HKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215004 559168639 /nfs/dbraw/zinc/16/86/39/559168639.db2.gz MBQYIFKVTRPWOF-QHCPKHFHSA-N 1 0 423.601 6.350 40 0 HKABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215005 559168672 /nfs/dbraw/zinc/16/86/72/559168672.db2.gz MBQYIFKVTRPWOF-HSZRJFAPSA-N 1 0 423.601 6.350 40 0 HKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072215027 559168762 /nfs/dbraw/zinc/16/87/62/559168762.db2.gz HTPCUERSFNMPIM-QFIPXVFZSA-N 1 0 409.574 5.960 40 0 HKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072215028 559168736 /nfs/dbraw/zinc/16/87/36/559168736.db2.gz HTPCUERSFNMPIM-JOCHJYFZSA-N 1 0 409.574 5.960 40 0 HKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072215064 559168694 /nfs/dbraw/zinc/16/86/94/559168694.db2.gz OBXQWFBPOWSABJ-QHCPKHFHSA-N 1 0 423.601 6.350 40 0 HKABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072215065 559168699 /nfs/dbraw/zinc/16/86/99/559168699.db2.gz OBXQWFBPOWSABJ-HSZRJFAPSA-N 1 0 423.601 6.350 40 0 HKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215095 559168715 /nfs/dbraw/zinc/16/87/15/559168715.db2.gz QJCVYZGPSKUYCK-KNQAVFIVSA-N 1 0 409.574 5.959 40 0 HKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215096 559168742 /nfs/dbraw/zinc/16/87/42/559168742.db2.gz QJCVYZGPSKUYCK-UGKGYDQZSA-N 1 0 409.574 5.959 40 0 HKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215097 559168685 /nfs/dbraw/zinc/16/86/85/559168685.db2.gz QJCVYZGPSKUYCK-DENIHFKCSA-N 1 0 409.574 5.959 40 0 HKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215098 559168720 /nfs/dbraw/zinc/16/87/20/559168720.db2.gz QJCVYZGPSKUYCK-SIKLNZKXSA-N 1 0 409.574 5.959 40 0 HKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215161 559168730 /nfs/dbraw/zinc/16/87/30/559168730.db2.gz YLNOEWZPHUJGPW-OFNKIYASSA-N 1 0 423.601 6.349 40 0 HKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215162 559168724 /nfs/dbraw/zinc/16/87/24/559168724.db2.gz YLNOEWZPHUJGPW-REWPJTCUSA-N 1 0 423.601 6.349 40 0 HKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215163 559168704 /nfs/dbraw/zinc/16/87/04/559168704.db2.gz YLNOEWZPHUJGPW-NFBKMPQASA-N 1 0 423.601 6.349 40 0 HKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072215164 559168711 /nfs/dbraw/zinc/16/87/11/559168711.db2.gz YLNOEWZPHUJGPW-NZQKXSOJSA-N 1 0 423.601 6.349 40 0 HKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072215207 559168753 /nfs/dbraw/zinc/16/87/53/559168753.db2.gz OEMYVDDLKDVNLN-KNQAVFIVSA-N 1 0 409.574 5.959 40 0 HKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072215208 559168666 /nfs/dbraw/zinc/16/86/66/559168666.db2.gz OEMYVDDLKDVNLN-UGKGYDQZSA-N 1 0 409.574 5.959 40 0 HKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072215209 559168758 /nfs/dbraw/zinc/16/87/58/559168758.db2.gz OEMYVDDLKDVNLN-DENIHFKCSA-N 1 0 409.574 5.959 40 0 HKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072215210 559168853 /nfs/dbraw/zinc/16/88/53/559168853.db2.gz OEMYVDDLKDVNLN-SIKLNZKXSA-N 1 0 409.574 5.959 40 0 HKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072215273 559168828 /nfs/dbraw/zinc/16/88/28/559168828.db2.gz ZUWCYXVWOUHCCO-OFNKIYASSA-N 1 0 423.601 6.349 40 0 HKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072215274 559168907 /nfs/dbraw/zinc/16/89/07/559168907.db2.gz ZUWCYXVWOUHCCO-REWPJTCUSA-N 1 0 423.601 6.349 40 0 HKABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072215275 559168891 /nfs/dbraw/zinc/16/88/91/559168891.db2.gz ZUWCYXVWOUHCCO-NFBKMPQASA-N 1 0 423.601 6.349 40 0 HKABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072215276 559168875 /nfs/dbraw/zinc/16/88/75/559168875.db2.gz ZUWCYXVWOUHCCO-NZQKXSOJSA-N 1 0 423.601 6.349 40 0 HKABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C1CC1 ZINC000072215348 559168836 /nfs/dbraw/zinc/16/88/36/559168836.db2.gz BGZCNRBXNRELBS-QFIPXVFZSA-N 1 0 407.558 5.713 40 0 HKABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C1CC1 ZINC000072215349 559168823 /nfs/dbraw/zinc/16/88/23/559168823.db2.gz BGZCNRBXNRELBS-JOCHJYFZSA-N 1 0 407.558 5.713 40 0 HKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000072215408 559168858 /nfs/dbraw/zinc/16/88/58/559168858.db2.gz LKLGOPVPOTVMGY-QFIPXVFZSA-N 1 0 407.558 5.713 40 0 HKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000072215409 559169016 /nfs/dbraw/zinc/16/90/16/559169016.db2.gz LKLGOPVPOTVMGY-JOCHJYFZSA-N 1 0 407.558 5.713 40 0 HKABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C1CCC1 ZINC000072215431 559168994 /nfs/dbraw/zinc/16/89/94/559168994.db2.gz RNYWBNLBUCFFHW-QFIPXVFZSA-N 1 0 407.558 5.713 40 0 HKABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C1CCC1 ZINC000072215432 559169029 /nfs/dbraw/zinc/16/90/29/559169029.db2.gz RNYWBNLBUCFFHW-JOCHJYFZSA-N 1 0 407.558 5.713 40 0 HKABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C1CCC1 ZINC000072215468 559169049 /nfs/dbraw/zinc/16/90/49/559169049.db2.gz JDMSZGZHLNNEGR-QHCPKHFHSA-N 1 0 421.585 6.103 40 0 HKABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1)C1CCC1 ZINC000072215469 559169019 /nfs/dbraw/zinc/16/90/19/559169019.db2.gz JDMSZGZHLNNEGR-HSZRJFAPSA-N 1 0 421.585 6.103 40 0 HKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000072215491 559169042 /nfs/dbraw/zinc/16/90/42/559169042.db2.gz WDWSXUHVCFCRTC-QFIPXVFZSA-N 1 0 407.558 5.713 40 0 HKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000072215492 559169054 /nfs/dbraw/zinc/16/90/54/559169054.db2.gz WDWSXUHVCFCRTC-JOCHJYFZSA-N 1 0 407.558 5.713 40 0 HKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000072215528 559169010 /nfs/dbraw/zinc/16/90/10/559169010.db2.gz QGRMGSCLAUZESC-QHCPKHFHSA-N 1 0 421.585 6.103 40 0 HKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000072215529 559169007 /nfs/dbraw/zinc/16/90/07/559169007.db2.gz QGRMGSCLAUZESC-HSZRJFAPSA-N 1 0 421.585 6.103 40 0 HKABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215551 559169013 /nfs/dbraw/zinc/16/90/13/559169013.db2.gz ILGCBPMVGXTRJD-QHCPKHFHSA-N 1 0 421.585 6.103 40 0 HKABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215552 559169036 /nfs/dbraw/zinc/16/90/36/559169036.db2.gz ILGCBPMVGXTRJD-HSZRJFAPSA-N 1 0 421.585 6.103 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215584 559169025 /nfs/dbraw/zinc/16/90/25/559169025.db2.gz RZIGLTZGQONSIA-OAQYLSRUSA-N 1 0 401.595 5.949 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215585 559169045 /nfs/dbraw/zinc/16/90/45/559169045.db2.gz RZIGLTZGQONSIA-NRFANRHFSA-N 1 0 401.595 5.949 40 0 HKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215586 559169022 /nfs/dbraw/zinc/16/90/22/559169022.db2.gz SBWORMDCTVQUAT-OAQYLSRUSA-N 1 0 401.595 6.093 40 0 HKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215587 559169057 /nfs/dbraw/zinc/16/90/57/559169057.db2.gz SBWORMDCTVQUAT-NRFANRHFSA-N 1 0 401.595 6.093 40 0 HKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000072215611 559167974 /nfs/dbraw/zinc/16/79/74/559167974.db2.gz JQIZWDGEGSDSFA-QHCPKHFHSA-N 1 0 421.585 6.103 40 0 HKABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000072215612 559168002 /nfs/dbraw/zinc/16/80/02/559168002.db2.gz JQIZWDGEGSDSFA-HSZRJFAPSA-N 1 0 421.585 6.103 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215644 559168069 /nfs/dbraw/zinc/16/80/69/559168069.db2.gz SZGAZVURCJZWAN-OAQYLSRUSA-N 1 0 401.595 5.949 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215645 559168093 /nfs/dbraw/zinc/16/80/93/559168093.db2.gz SZGAZVURCJZWAN-NRFANRHFSA-N 1 0 401.595 5.949 40 0 HKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215646 559168133 /nfs/dbraw/zinc/16/81/33/559168133.db2.gz KMOOMOBSZVAQSD-OAQYLSRUSA-N 1 0 401.595 6.093 40 0 HKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215647 559168129 /nfs/dbraw/zinc/16/81/29/559168129.db2.gz KMOOMOBSZVAQSD-NRFANRHFSA-N 1 0 401.595 6.093 40 0 HKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215685 559169275 /nfs/dbraw/zinc/16/92/75/559169275.db2.gz PQHYYCHCQJKIFH-OAQYLSRUSA-N 1 0 401.595 5.949 40 0 HKABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215686 559169256 /nfs/dbraw/zinc/16/92/56/559169256.db2.gz PQHYYCHCQJKIFH-NRFANRHFSA-N 1 0 401.595 5.949 40 0 HKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215687 559169277 /nfs/dbraw/zinc/16/92/77/559169277.db2.gz CILNYRSNRYYRKX-OAQYLSRUSA-N 1 0 401.595 6.093 40 0 HKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215688 559169290 /nfs/dbraw/zinc/16/92/90/559169290.db2.gz CILNYRSNRYYRKX-NRFANRHFSA-N 1 0 401.595 6.093 40 0 HKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215700 559169286 /nfs/dbraw/zinc/16/92/86/559169286.db2.gz WACHZPQBFBQTBN-OAQYLSRUSA-N 1 0 401.595 6.093 40 0 HKABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215701 559169283 /nfs/dbraw/zinc/16/92/83/559169283.db2.gz WACHZPQBFBQTBN-NRFANRHFSA-N 1 0 401.595 6.093 40 0 HKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215702 559169269 /nfs/dbraw/zinc/16/92/69/559169269.db2.gz OUSAIQCYNGJIPJ-OAQYLSRUSA-N 1 0 401.595 6.091 40 0 HKABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215703 559169250 /nfs/dbraw/zinc/16/92/50/559169250.db2.gz OUSAIQCYNGJIPJ-NRFANRHFSA-N 1 0 401.595 6.091 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215704 559169298 /nfs/dbraw/zinc/16/92/98/559169298.db2.gz RNRWWRZIBNYKTO-JOCHJYFZSA-N 1 0 415.622 6.339 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215705 559169246 /nfs/dbraw/zinc/16/92/46/559169246.db2.gz RNRWWRZIBNYKTO-QFIPXVFZSA-N 1 0 415.622 6.339 40 0 HKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215706 559169280 /nfs/dbraw/zinc/16/92/80/559169280.db2.gz TYEALSICYUYGKM-JOCHJYFZSA-N 1 0 415.622 6.483 40 0 HKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215707 559169253 /nfs/dbraw/zinc/16/92/53/559169253.db2.gz TYEALSICYUYGKM-QFIPXVFZSA-N 1 0 415.622 6.483 40 0 HKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215745 559169265 /nfs/dbraw/zinc/16/92/65/559169265.db2.gz CBWFRCUHRYGKHK-OAQYLSRUSA-N 1 0 401.595 5.949 40 0 HKABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215746 559169295 /nfs/dbraw/zinc/16/92/95/559169295.db2.gz CBWFRCUHRYGKHK-NRFANRHFSA-N 1 0 401.595 5.949 40 0 HKABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215747 559169302 /nfs/dbraw/zinc/16/93/02/559169302.db2.gz ZKKGOMOUZIHGAP-OAQYLSRUSA-N 1 0 401.595 6.093 40 0 HKABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215748 559169429 /nfs/dbraw/zinc/16/94/29/559169429.db2.gz ZKKGOMOUZIHGAP-NRFANRHFSA-N 1 0 401.595 6.093 40 0 HKABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215760 559169447 /nfs/dbraw/zinc/16/94/47/559169447.db2.gz UEQJOQSZGLGWOZ-OAQYLSRUSA-N 1 0 401.595 6.093 40 0 HKABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215761 559169353 /nfs/dbraw/zinc/16/93/53/559169353.db2.gz UEQJOQSZGLGWOZ-NRFANRHFSA-N 1 0 401.595 6.093 40 0 HKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215762 559169476 /nfs/dbraw/zinc/16/94/76/559169476.db2.gz LDLQZUFODNTRQY-OAQYLSRUSA-N 1 0 401.595 6.091 40 0 HKABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215763 559169408 /nfs/dbraw/zinc/16/94/08/559169408.db2.gz LDLQZUFODNTRQY-NRFANRHFSA-N 1 0 401.595 6.091 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215764 559169374 /nfs/dbraw/zinc/16/93/74/559169374.db2.gz XXJZEGKQCWFINV-JOCHJYFZSA-N 1 0 415.622 6.339 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215765 559169367 /nfs/dbraw/zinc/16/93/67/559169367.db2.gz XXJZEGKQCWFINV-QFIPXVFZSA-N 1 0 415.622 6.339 40 0 HKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215766 559169456 /nfs/dbraw/zinc/16/94/56/559169456.db2.gz KYZQOFNHZDVXNK-JOCHJYFZSA-N 1 0 415.622 6.483 40 0 HKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215767 559169405 /nfs/dbraw/zinc/16/94/05/559169405.db2.gz KYZQOFNHZDVXNK-QFIPXVFZSA-N 1 0 415.622 6.483 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215824 559169395 /nfs/dbraw/zinc/16/93/95/559169395.db2.gz NDYAUYQDFQXWKI-JOCHJYFZSA-N 1 0 409.574 6.338 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215825 559169466 /nfs/dbraw/zinc/16/94/66/559169466.db2.gz NDYAUYQDFQXWKI-QFIPXVFZSA-N 1 0 409.574 6.338 40 0 HKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215826 559169471 /nfs/dbraw/zinc/16/94/71/559169471.db2.gz WZRQOJMCPBDVJC-JOCHJYFZSA-N 1 0 409.574 6.482 40 0 HKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215827 559169361 /nfs/dbraw/zinc/16/93/61/559169361.db2.gz WZRQOJMCPBDVJC-QFIPXVFZSA-N 1 0 409.574 6.482 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215884 559169379 /nfs/dbraw/zinc/16/93/79/559169379.db2.gz NSKMXUWLQCRZEE-JOCHJYFZSA-N 1 0 409.574 6.338 40 0 HKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215885 559169419 /nfs/dbraw/zinc/16/94/19/559169419.db2.gz NSKMXUWLQCRZEE-QFIPXVFZSA-N 1 0 409.574 6.338 40 0 HKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215886 559169424 /nfs/dbraw/zinc/16/94/24/559169424.db2.gz UDNHLCGPKWEALV-JOCHJYFZSA-N 1 0 409.574 6.482 40 0 HKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215887 559169462 /nfs/dbraw/zinc/16/94/62/559169462.db2.gz UDNHLCGPKWEALV-QFIPXVFZSA-N 1 0 409.574 6.482 40 0 HKABRO CC1=C[C@@H](C[NH+](CC2CC2)CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000072320788 560077328 /nfs/dbraw/zinc/07/73/28/560077328.db2.gz HVYDMGZREQLYCH-VABKMULXSA-N 1 0 406.618 5.477 40 0 biogenic,in-vitro HKABRO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4)C=C3C)nc2c1 ZINC000072320956 560076993 /nfs/dbraw/zinc/07/69/93/560076993.db2.gz JZRJKMCHULJAKM-FIXSFTCYSA-N 1 0 417.597 5.758 40 0 biogenic,in-vitro HKABRO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCCCC4)C=C3C)nc2c1 ZINC000072320958 560076953 /nfs/dbraw/zinc/07/69/53/560076953.db2.gz HIUWVUDZECFMFH-JTAQYXEDSA-N 1 0 409.618 5.891 40 0 biogenic,in-vitro HKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4)C=C3C)nc21 ZINC000072320971 560077020 /nfs/dbraw/zinc/07/70/20/560077020.db2.gz VSXOCJFQZLURFB-HJOGWXRNSA-N 1 0 401.598 6.058 40 0 biogenic,in-vitro HKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC4CCCCC4)C=C3C)nc21 ZINC000072320972 560077028 /nfs/dbraw/zinc/07/70/28/560077028.db2.gz KZTOZSHNNTXTQH-HJOGWXRNSA-N 1 0 407.646 6.438 40 0 biogenic,in-vitro HKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4cccnc4)C=C3C)nc21 ZINC000072320977 560077062 /nfs/dbraw/zinc/07/70/62/560077062.db2.gz VTQNUZCDPAOAKQ-VABKMULXSA-N 1 0 402.586 5.453 40 0 biogenic,in-vitro HKABRO CC1=C[C@@H](C[NH2+]C2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000072321032 560077732 /nfs/dbraw/zinc/07/77/32/560077732.db2.gz QMTNRNUKMQSYCV-WFXMLNOXSA-N 1 0 416.009 5.382 40 0 biogenic,in-vitro HKABRO COc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349930 525715247 /nfs/dbraw/zinc/71/52/47/525715247.db2.gz WDKNMRAOPZTDET-QFIPXVFZSA-N 1 0 415.537 5.095 40 0 HKABRO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349931 558946882 /nfs/dbraw/zinc/94/68/82/558946882.db2.gz WDKNMRAOPZTDET-JOCHJYFZSA-N 1 0 415.537 5.095 40 0 HKABRO COc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)cc1 ZINC000072349932 559185508 /nfs/dbraw/zinc/18/55/08/559185508.db2.gz YBPZNHKEOJCBRW-QFIPXVFZSA-N 1 0 415.537 5.095 40 0 HKABRO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)cc1 ZINC000072349933 559185522 /nfs/dbraw/zinc/18/55/22/559185522.db2.gz YBPZNHKEOJCBRW-JOCHJYFZSA-N 1 0 415.537 5.095 40 0 HKABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cccc(Cc4ccccc4F)n3)CC2)cc1 ZINC000072349935 558946973 /nfs/dbraw/zinc/94/69/73/558946973.db2.gz KYYSQGCKVISLKN-UHFFFAOYSA-N 1 0 417.528 5.150 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 ZINC000072349936 559185498 /nfs/dbraw/zinc/18/54/98/559185498.db2.gz ICYJKOOMTDJHQN-QFIPXVFZSA-N 1 0 417.528 5.150 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 ZINC000072349937 559185437 /nfs/dbraw/zinc/18/54/37/559185437.db2.gz ICYJKOOMTDJHQN-JOCHJYFZSA-N 1 0 417.528 5.150 40 0 HKABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)cc1 ZINC000072349938 558946838 /nfs/dbraw/zinc/94/68/38/558946838.db2.gz REXYICJSQXCHAX-UHFFFAOYSA-N 1 0 417.528 5.150 40 0 HKABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)cc1 ZINC000072349941 558946893 /nfs/dbraw/zinc/94/68/93/558946893.db2.gz IGUVBOGJOHZFLF-UHFFFAOYSA-N 1 0 417.528 5.150 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 ZINC000072349942 558946977 /nfs/dbraw/zinc/94/69/77/558946977.db2.gz IMDBENBAJWYEJI-QFIPXVFZSA-N 1 0 417.528 5.150 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 ZINC000072349943 558946964 /nfs/dbraw/zinc/94/69/64/558946964.db2.gz IMDBENBAJWYEJI-JOCHJYFZSA-N 1 0 417.528 5.150 40 0 HKABRO FC(F)(F)c1ccc(Cc2cccc(C3CC[NH+](C4CCOCC4)CC3)n2)cc1 ZINC000072350105 527683065 /nfs/dbraw/zinc/68/30/65/527683065.db2.gz MPZZCLREYUNEMU-UHFFFAOYSA-N 1 0 404.476 5.050 40 0 HKABRO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)cc1 ZINC000072350106 558947032 /nfs/dbraw/zinc/94/70/32/558947032.db2.gz LBHPIHNIAWWQDH-GOSISDBHSA-N 1 0 404.476 5.050 40 0 HKABRO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)cc1 ZINC000072350107 558947059 /nfs/dbraw/zinc/94/70/59/558947059.db2.gz LBHPIHNIAWWQDH-SFHVURJKSA-N 1 0 404.476 5.050 40 0 HKABRO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352288 558948555 /nfs/dbraw/zinc/94/85/55/558948555.db2.gz RRDIKOLNFVXUKF-KRWDZBQOSA-N 1 0 417.578 5.084 40 0 HKABRO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352289 558948549 /nfs/dbraw/zinc/94/85/49/558948549.db2.gz RRDIKOLNFVXUKF-QGZVFWFLSA-N 1 0 417.578 5.084 40 0 HKABRO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072352448 558948677 /nfs/dbraw/zinc/94/86/77/558948677.db2.gz WKZPSTNUGHQAIJ-GOSISDBHSA-N 1 0 415.562 5.141 40 0 HKABRO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072352449 558948798 /nfs/dbraw/zinc/94/87/98/558948798.db2.gz WKZPSTNUGHQAIJ-SFHVURJKSA-N 1 0 415.562 5.141 40 0 HKABRO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072352490 558948920 /nfs/dbraw/zinc/94/89/20/558948920.db2.gz RMATXIAXRNDATK-GOSISDBHSA-N 1 0 415.562 5.141 40 0 HKABRO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072352491 558948932 /nfs/dbraw/zinc/94/89/32/558948932.db2.gz RMATXIAXRNDATK-SFHVURJKSA-N 1 0 415.562 5.141 40 0 HKABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353092 558949707 /nfs/dbraw/zinc/94/97/07/558949707.db2.gz AINKQWYRSDDCFE-XMMPIXPASA-N 1 0 424.552 5.172 40 0 HKABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353093 558949619 /nfs/dbraw/zinc/94/96/19/558949619.db2.gz AINKQWYRSDDCFE-DEOSSOPVSA-N 1 0 424.552 5.172 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353200 558949857 /nfs/dbraw/zinc/94/98/57/558949857.db2.gz LNJZHUMVMUCIIT-JOCHJYFZSA-N 1 0 408.525 5.091 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353201 558949871 /nfs/dbraw/zinc/94/98/71/558949871.db2.gz LNJZHUMVMUCIIT-QFIPXVFZSA-N 1 0 408.525 5.091 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353462 558950407 /nfs/dbraw/zinc/95/04/07/558950407.db2.gz MAEKXJYLSHDKNJ-OAQYLSRUSA-N 1 0 418.589 5.302 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353463 558950441 /nfs/dbraw/zinc/95/04/41/558950441.db2.gz MAEKXJYLSHDKNJ-NRFANRHFSA-N 1 0 418.589 5.302 40 0 HKABRO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc3nccnc3c2)n1 ZINC000072358072 558953715 /nfs/dbraw/zinc/95/37/15/558953715.db2.gz LXQYSHRWPXUIMH-VWLOTQADSA-N 1 0 414.940 5.606 40 0 HKABRO Clc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc3nccnc3c2)n1 ZINC000072358073 558953770 /nfs/dbraw/zinc/95/37/70/558953770.db2.gz LXQYSHRWPXUIMH-RUZDIDTESA-N 1 0 414.940 5.606 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072358110 558953787 /nfs/dbraw/zinc/95/37/87/558953787.db2.gz XRMPNKCIOMUDPL-RUZDIDTESA-N 1 0 403.501 5.107 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072358111 558953859 /nfs/dbraw/zinc/95/38/59/558953859.db2.gz XRMPNKCIOMUDPL-VWLOTQADSA-N 1 0 403.501 5.107 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 ZINC000072358116 558953799 /nfs/dbraw/zinc/95/37/99/558953799.db2.gz JCBMFZFGBPVNII-RUZDIDTESA-N 1 0 419.956 5.621 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 ZINC000072358117 558953908 /nfs/dbraw/zinc/95/39/08/558953908.db2.gz JCBMFZFGBPVNII-VWLOTQADSA-N 1 0 419.956 5.621 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000072358118 558953808 /nfs/dbraw/zinc/95/38/08/558953808.db2.gz JLSGLKQCWUPXDC-RUZDIDTESA-N 1 0 419.956 5.621 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000072358119 558953885 /nfs/dbraw/zinc/95/38/85/558953885.db2.gz JLSGLKQCWUPXDC-VWLOTQADSA-N 1 0 419.956 5.621 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 ZINC000072359047 558954704 /nfs/dbraw/zinc/95/47/04/558954704.db2.gz PKURZKJGPZWNPI-FQEVSTJZSA-N 1 0 420.944 5.135 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 ZINC000072359048 558954715 /nfs/dbraw/zinc/95/47/15/558954715.db2.gz PKURZKJGPZWNPI-HXUWFJFHSA-N 1 0 420.944 5.135 40 0 HKABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000072359720 558955399 /nfs/dbraw/zinc/95/53/99/558955399.db2.gz WSKKXVOETVALFD-UHFFFAOYSA-N 1 0 420.944 5.135 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000072359721 558955349 /nfs/dbraw/zinc/95/53/49/558955349.db2.gz FTAXIIBXSLIIBK-FQEVSTJZSA-N 1 0 420.944 5.135 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000072359722 558955386 /nfs/dbraw/zinc/95/53/86/558955386.db2.gz FTAXIIBXSLIIBK-HXUWFJFHSA-N 1 0 420.944 5.135 40 0 HKABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000072370357 558956819 /nfs/dbraw/zinc/95/68/19/558956819.db2.gz JMLLOLZGLPCSIP-IBGZPJMESA-N 1 0 415.562 5.016 40 0 HKABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000072370358 558956781 /nfs/dbraw/zinc/95/67/81/558956781.db2.gz JMLLOLZGLPCSIP-LJQANCHMSA-N 1 0 415.562 5.016 40 0 HKABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1cnc(C)s1 ZINC000072370701 558957204 /nfs/dbraw/zinc/95/72/04/558957204.db2.gz WYKWYCMITUIUPB-MRXNPFEDSA-N 1 0 413.612 5.013 40 0 HKABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1cnc(C)s1 ZINC000072370702 558957221 /nfs/dbraw/zinc/95/72/21/558957221.db2.gz WYKWYCMITUIUPB-INIZCTEOSA-N 1 0 413.612 5.013 40 0 HKABRO Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372710 558960645 /nfs/dbraw/zinc/96/06/45/558960645.db2.gz DQNLRFZMJCMSMB-QHCPKHFHSA-N 1 0 404.562 5.260 40 0 HKABRO Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372711 558960578 /nfs/dbraw/zinc/96/05/78/558960578.db2.gz DQNLRFZMJCMSMB-HSZRJFAPSA-N 1 0 404.562 5.260 40 0 HKABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cnn1C ZINC000072374141 558961506 /nfs/dbraw/zinc/96/15/06/558961506.db2.gz AQJLNIXVZNMDIP-JOCHJYFZSA-N 1 0 414.475 5.070 40 0 HKABRO Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cnn1C ZINC000072374142 558961474 /nfs/dbraw/zinc/96/14/74/558961474.db2.gz AQJLNIXVZNMDIP-QFIPXVFZSA-N 1 0 414.475 5.070 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 ZINC000072374326 558961759 /nfs/dbraw/zinc/96/17/59/558961759.db2.gz HQYWZGCVCALWRV-UHFFFAOYSA-N 1 0 418.589 5.302 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 ZINC000072374327 558961687 /nfs/dbraw/zinc/96/16/87/558961687.db2.gz YJPBMJVKKLHONC-UHFFFAOYSA-N 1 0 418.589 5.302 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072374809 558962790 /nfs/dbraw/zinc/96/27/90/558962790.db2.gz ZZKVGBNZZRTVJR-HSZRJFAPSA-N 1 0 420.576 5.504 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072374810 558962711 /nfs/dbraw/zinc/96/27/11/558962711.db2.gz ZZKVGBNZZRTVJR-QHCPKHFHSA-N 1 0 420.576 5.504 40 0 HKABRO Cc1csc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375357 558964034 /nfs/dbraw/zinc/96/40/34/558964034.db2.gz PADCOQFEVOFYFF-NRFANRHFSA-N 1 0 401.539 5.475 40 0 HKABRO Cc1csc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375358 558964058 /nfs/dbraw/zinc/96/40/58/558964058.db2.gz PADCOQFEVOFYFF-OAQYLSRUSA-N 1 0 401.539 5.475 40 0 HKABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)s1 ZINC000072375359 558964042 /nfs/dbraw/zinc/96/40/42/558964042.db2.gz BHOBXWUIARXLEN-NRFANRHFSA-N 1 0 401.539 5.475 40 0 HKABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)s1 ZINC000072375360 558963950 /nfs/dbraw/zinc/96/39/50/558963950.db2.gz BHOBXWUIARXLEN-OAQYLSRUSA-N 1 0 401.539 5.475 40 0 HKABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cccc4ncccc34)n2)s1 ZINC000072375741 558964687 /nfs/dbraw/zinc/96/46/87/558964687.db2.gz OSQVHLCXTXCXOU-NRFANRHFSA-N 1 0 401.539 5.475 40 0 HKABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3cccc4ncccc34)n2)s1 ZINC000072375742 558964577 /nfs/dbraw/zinc/96/45/77/558964577.db2.gz OSQVHLCXTXCXOU-OAQYLSRUSA-N 1 0 401.539 5.475 40 0 HKABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375781 558964585 /nfs/dbraw/zinc/96/45/85/558964585.db2.gz GJTIPZMEYYYBPG-OAQYLSRUSA-N 1 0 412.541 5.130 40 0 HKABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375782 558964638 /nfs/dbraw/zinc/96/46/38/558964638.db2.gz GJTIPZMEYYYBPG-NRFANRHFSA-N 1 0 412.541 5.130 40 0 HKABRO Cc1nc2c(C)cccn2c1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375785 558964645 /nfs/dbraw/zinc/96/46/45/558964645.db2.gz OLVCIHXRVOKHSX-OAQYLSRUSA-N 1 0 412.541 5.130 40 0 HKABRO Cc1nc2c(C)cccn2c1C[N@@H+]1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375786 558964672 /nfs/dbraw/zinc/96/46/72/558964672.db2.gz OLVCIHXRVOKHSX-NRFANRHFSA-N 1 0 412.541 5.130 40 0 HKABRO Cc1csc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3c(C)nc4c(C)cccn34)n2)n1 ZINC000072375787 558964591 /nfs/dbraw/zinc/96/45/91/558964591.db2.gz SQHMBABOJXWSPJ-LJQANCHMSA-N 1 0 418.570 5.192 40 0 HKABRO Cc1csc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3c(C)nc4c(C)cccn34)n2)n1 ZINC000072375788 558964642 /nfs/dbraw/zinc/96/46/42/558964642.db2.gz SQHMBABOJXWSPJ-IBGZPJMESA-N 1 0 418.570 5.192 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375799 558964603 /nfs/dbraw/zinc/96/46/03/558964603.db2.gz WIFSCEGMGWHVIL-QFIPXVFZSA-N 1 0 404.562 5.260 40 0 HKABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375800 558964619 /nfs/dbraw/zinc/96/46/19/558964619.db2.gz WIFSCEGMGWHVIL-JOCHJYFZSA-N 1 0 404.562 5.260 40 0 HKABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3c(C)nn(C(C)C)c3C)n2)s1 ZINC000072375801 558964824 /nfs/dbraw/zinc/96/48/24/558964824.db2.gz WRPFEYVMCRERBK-FQEVSTJZSA-N 1 0 410.591 5.321 40 0 HKABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3Cc3c(C)nn(C(C)C)c3C)n2)s1 ZINC000072375802 558964843 /nfs/dbraw/zinc/96/48/43/558964843.db2.gz WRPFEYVMCRERBK-HXUWFJFHSA-N 1 0 410.591 5.321 40 0 HKABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072377289 558966721 /nfs/dbraw/zinc/96/67/21/558966721.db2.gz WZXARPNQEVDIPW-QFIPXVFZSA-N 1 0 401.489 5.073 40 0 HKABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072377290 558966682 /nfs/dbraw/zinc/96/66/82/558966682.db2.gz WZXARPNQEVDIPW-JOCHJYFZSA-N 1 0 401.489 5.073 40 0 HKABRO COc1ccc2nc(C[NH+]3CCC(c4nnc(-c5ccc(C)s5)o4)CC3)ccc2c1 ZINC000072389942 558970264 /nfs/dbraw/zinc/97/02/64/558970264.db2.gz OYXCGZIMKSLHNW-UHFFFAOYSA-N 1 0 420.538 5.043 40 0 HKABRO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@@H+]2Cc2ccc(C)cc2OC)n1 ZINC000072390645 558970836 /nfs/dbraw/zinc/97/08/36/558970836.db2.gz LPIAXFBGEOJSHP-QHCPKHFHSA-N 1 0 416.569 5.535 40 0 HKABRO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@@H+]2Cc2ccc(C)cc2OC)n1 ZINC000072390646 558970856 /nfs/dbraw/zinc/97/08/56/558970856.db2.gz LPIAXFBGEOJSHP-HSZRJFAPSA-N 1 0 416.569 5.535 40 0 HKABRO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2OC)n1 ZINC000072390691 558970847 /nfs/dbraw/zinc/97/08/47/558970847.db2.gz KQGOXIQFDIRMGT-QHCPKHFHSA-N 1 0 416.569 5.535 40 0 HKABRO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@@H+]2Cc2cccc(C)c2OC)n1 ZINC000072390692 558970765 /nfs/dbraw/zinc/97/07/65/558970765.db2.gz KQGOXIQFDIRMGT-HSZRJFAPSA-N 1 0 416.569 5.535 40 0 HKABRO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@@H+]2Cc2cc(C)ccc2OC)n1 ZINC000072390693 558970792 /nfs/dbraw/zinc/97/07/92/558970792.db2.gz SJTYLSQSPACOMM-QHCPKHFHSA-N 1 0 416.569 5.535 40 0 HKABRO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@@H+]2Cc2cc(C)ccc2OC)n1 ZINC000072390694 558970825 /nfs/dbraw/zinc/97/08/25/558970825.db2.gz SJTYLSQSPACOMM-HSZRJFAPSA-N 1 0 416.569 5.535 40 0 HKABRO Cc1sc2c([C@@H]3CCC[N@H+](CC4=CCCOC4)C3)nc(Nc3ccccc3)n2c1C ZINC000072390983 558970925 /nfs/dbraw/zinc/97/09/25/558970925.db2.gz MNFWJMKPJRSCGI-HXUWFJFHSA-N 1 0 422.598 5.282 40 0 HKABRO Cc1sc2c([C@H]3CCC[N@H+](CC4=CCCOC4)C3)nc(Nc3ccccc3)n2c1C ZINC000072390984 558970908 /nfs/dbraw/zinc/97/09/08/558970908.db2.gz MNFWJMKPJRSCGI-FQEVSTJZSA-N 1 0 422.598 5.282 40 0 HKABRO CCc1c(C)noc1-c1snnc1C1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000072392669 558972326 /nfs/dbraw/zinc/97/23/26/558972326.db2.gz CLMXOLKKXXTRIJ-CQSZACIVSA-N 1 0 414.575 5.339 40 0 HKABRO CCc1c(C)noc1-c1snnc1C1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC000072392670 558972303 /nfs/dbraw/zinc/97/23/03/558972303.db2.gz CLMXOLKKXXTRIJ-AWEZNQCLSA-N 1 0 414.575 5.339 40 0 HKABRO CC(C)c1[nH]c2ncccc2c1C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072393352 558972794 /nfs/dbraw/zinc/97/27/94/558972794.db2.gz SSYWELCRYOVMDY-UHFFFAOYSA-N 1 0 417.475 5.189 40 0 HKABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000072393635 558973063 /nfs/dbraw/zinc/97/30/63/558973063.db2.gz NRSVGCNLNNHISB-BXQQJGBQSA-N 1 0 407.533 5.014 40 0 HKABRO FC(F)(F)c1[nH]c2ncccc2c1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000072393705 558972933 /nfs/dbraw/zinc/97/29/33/558972933.db2.gz OQEHNFLJRZWLFL-UHFFFAOYSA-N 1 0 410.443 5.222 40 0 HKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398590 558975978 /nfs/dbraw/zinc/97/59/78/558975978.db2.gz LBQAWOAUZJZLPY-QMNSUMBQSA-N 1 0 405.586 5.101 40 0 HKABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398591 558976051 /nfs/dbraw/zinc/97/60/51/558976051.db2.gz LBQAWOAUZJZLPY-XMGXTHMBSA-N 1 0 405.586 5.101 40 0 HKABRO C[C@@H](CC[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000072398594 558975924 /nfs/dbraw/zinc/97/59/24/558975924.db2.gz PLPUHLFQJZSMBX-SSPYTLHUSA-N 1 0 407.602 5.191 40 0 HKABRO C[C@H](CC[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000072398595 558975988 /nfs/dbraw/zinc/97/59/88/558975988.db2.gz PLPUHLFQJZSMBX-SFLYRZDNSA-N 1 0 407.602 5.191 40 0 HKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](CC4CC4)CC4CC4)C=C3C)nc21 ZINC000077262097 291290324 /nfs/dbraw/zinc/29/03/24/291290324.db2.gz DTEWDOZBJNXZKU-SDHOMARFSA-N 1 0 419.657 6.390 40 0 biogenic,in-vitro HKABRO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccn4)C=C3C)nc2c1 ZINC000077262135 291295592 /nfs/dbraw/zinc/29/55/92/291295592.db2.gz OQHGIRZNSZXTQS-JTAQYXEDSA-N 1 0 418.585 5.153 40 0 biogenic,in-vitro HKABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4F)C=C3C)nc21 ZINC000077262176 291290595 /nfs/dbraw/zinc/29/05/95/291290595.db2.gz QYZLKNCISDIAQO-VABKMULXSA-N 1 0 419.588 6.197 40 0 biogenic,in-vitro HKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2=O ZINC000077287054 568924159 /nfs/dbraw/zinc/92/41/59/568924159.db2.gz DHSOIDFQNPRZLM-NRFANRHFSA-N 1 0 420.380 6.140 40 0 in-vitro HKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2=O ZINC000077287055 568924289 /nfs/dbraw/zinc/92/42/89/568924289.db2.gz DHSOIDFQNPRZLM-OAQYLSRUSA-N 1 0 420.380 6.140 40 0 in-vitro HKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@H](C)C[NH2+]2 ZINC000078817070 558811728 /nfs/dbraw/zinc/81/17/28/558811728.db2.gz KWVISVAMQJWJSZ-HOFADDDFSA-N 1 0 413.646 5.287 40 0 in-man HKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000078817078 569395452 /nfs/dbraw/zinc/39/54/52/569395452.db2.gz KWVISVAMQJWJSZ-XPMUQOCRSA-N 1 0 413.646 5.287 40 0 endogenous,in-man HKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000078817085 558811766 /nfs/dbraw/zinc/81/17/66/558811766.db2.gz KWVISVAMQJWJSZ-FIBXIUFESA-N 1 0 413.646 5.287 40 0 in-man HKABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)s1 ZINC000096038200 559091818 /nfs/dbraw/zinc/09/18/18/559091818.db2.gz ODDMGRFIXVGSFW-UHFFFAOYSA-N 1 0 406.530 5.285 40 0 HKABRO Fc1ccc(C[NH+]2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)cc1 ZINC000096038201 559091838 /nfs/dbraw/zinc/09/18/38/559091838.db2.gz VFDBXWJHLYKCBV-UHFFFAOYSA-N 1 0 404.464 5.054 40 0 HKABRO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccc(C)s5)CC4)nn3c2)c1 ZINC000096038224 559091903 /nfs/dbraw/zinc/09/19/03/559091903.db2.gz URQYUOPMUQPAOW-UHFFFAOYSA-N 1 0 418.566 5.154 40 0 HKABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)s1 ZINC000096038321 559091963 /nfs/dbraw/zinc/09/19/63/559091963.db2.gz YIGZKCPZLLHOQZ-UHFFFAOYSA-N 1 0 403.555 5.222 40 0 HKABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(Cc2ccccc2)C3=O)s1 ZINC000096052531 559092320 /nfs/dbraw/zinc/09/23/20/559092320.db2.gz KIPRAKDQZMSQKY-UHFFFAOYSA-N 1 0 402.563 5.137 40 0 HKABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)s1 ZINC000096052753 559092326 /nfs/dbraw/zinc/09/23/26/559092326.db2.gz KYHJXBCHYPJQDQ-IBGZPJMESA-N 1 0 408.611 5.136 40 0 HKABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)s1 ZINC000096052754 559092303 /nfs/dbraw/zinc/09/23/03/559092303.db2.gz KYHJXBCHYPJQDQ-LJQANCHMSA-N 1 0 408.611 5.136 40 0 HKABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096053043 559092874 /nfs/dbraw/zinc/09/28/74/559092874.db2.gz YLBDDEIZPWLBIZ-OAQYLSRUSA-N 1 0 408.561 5.105 40 0 HKABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096053044 559092908 /nfs/dbraw/zinc/09/29/08/559092908.db2.gz YLBDDEIZPWLBIZ-NRFANRHFSA-N 1 0 408.561 5.105 40 0 HKABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc2O3)s1 ZINC000096053389 559093330 /nfs/dbraw/zinc/09/33/30/559093330.db2.gz JMEQMJPCZBKLTJ-IBGZPJMESA-N 1 0 424.610 5.016 40 0 HKABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc2O3)s1 ZINC000096053390 559093350 /nfs/dbraw/zinc/09/33/50/559093350.db2.gz JMEQMJPCZBKLTJ-LJQANCHMSA-N 1 0 424.610 5.016 40 0 HKABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccccc3Cl)CC1)nc2-c1cccnc1 ZINC000096062756 559094292 /nfs/dbraw/zinc/09/42/92/559094292.db2.gz HPKXWJGBRUZLFQ-UHFFFAOYSA-N 1 0 417.944 5.063 40 0 HKABRO Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)s1 ZINC000096099929 559095192 /nfs/dbraw/zinc/09/51/92/559095192.db2.gz MFHCWNOMURHHFZ-UHFFFAOYSA-N 1 0 402.567 5.385 40 0 HKABRO COc1ccc(C[NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cc1 ZINC000096099930 559095208 /nfs/dbraw/zinc/09/52/08/559095208.db2.gz FNPZWXKGLPYMEI-UHFFFAOYSA-N 1 0 412.537 5.024 40 0 HKABRO COc1ccc(-c2nc(C3CC[NH+](Cc4cccs4)CC3)cc3c2ncn3C)cc1 ZINC000096099977 559095238 /nfs/dbraw/zinc/09/52/38/559095238.db2.gz UIMKVRUCPWUSAI-UHFFFAOYSA-N 1 0 418.566 5.085 40 0 HKABRO Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C(C)C)c(N4CCCC4)n3)CC2)s1 ZINC000096099995 559095282 /nfs/dbraw/zinc/09/52/82/559095282.db2.gz KWUZAVWSINEVRS-UHFFFAOYSA-N 1 0 423.630 5.362 40 0 HKABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3cccs3)CC1)nc2-c1cccnc1 ZINC000096100007 559095264 /nfs/dbraw/zinc/09/52/64/559095264.db2.gz MQSRMLLAKDKWTM-UHFFFAOYSA-N 1 0 417.582 5.515 40 0 HKABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3ccsc3)CC1)nc2-c1cccnc1 ZINC000096100008 559095242 /nfs/dbraw/zinc/09/52/42/559095242.db2.gz ODOVSNZSFHNONS-UHFFFAOYSA-N 1 0 417.582 5.515 40 0 HKABRO Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)o1 ZINC000096100010 559095299 /nfs/dbraw/zinc/09/52/99/559095299.db2.gz RADRLSYQFRQCSE-UHFFFAOYSA-N 1 0 415.541 5.355 40 0 HKABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3ccc(F)cc3)CC1)nc2N1CCCC1 ZINC000096155632 559099887 /nfs/dbraw/zinc/09/98/87/559099887.db2.gz SKBFGTORYWUUPM-UHFFFAOYSA-N 1 0 421.564 5.131 40 0 HKABRO COc1ccc(F)cc1-c1ccc2nc(C3CC[NH+](CCC(C)(C)C)CC3)nn2c1 ZINC000096155854 559099996 /nfs/dbraw/zinc/09/99/96/559099996.db2.gz KLKMNNWOSVRTHH-UHFFFAOYSA-N 1 0 410.537 5.160 40 0 HKABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000096214561 559101709 /nfs/dbraw/zinc/10/17/09/559101709.db2.gz WXZDHUDJEOSWAH-HSZRJFAPSA-N 1 0 417.380 5.193 40 0 HKABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000096214562 559101728 /nfs/dbraw/zinc/10/17/28/559101728.db2.gz WXZDHUDJEOSWAH-QHCPKHFHSA-N 1 0 417.380 5.193 40 0 HKABRO O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000096268114 559108409 /nfs/dbraw/zinc/10/84/09/559108409.db2.gz MYRFWUSZSJAKJJ-HSZRJFAPSA-N 1 0 413.521 5.057 40 0 HKABRO O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000096268115 559108436 /nfs/dbraw/zinc/10/84/36/559108436.db2.gz MYRFWUSZSJAKJJ-QHCPKHFHSA-N 1 0 413.521 5.057 40 0 HKABRO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2ccc(C(C)C)cc2)c1C ZINC000096315931 559109586 /nfs/dbraw/zinc/10/95/86/559109586.db2.gz NHAKTQIUTYCJTP-QFIPXVFZSA-N 1 0 419.573 5.275 40 0 HKABRO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2ccc(C(C)C)cc2)c1C ZINC000096315932 559109627 /nfs/dbraw/zinc/10/96/27/559109627.db2.gz NHAKTQIUTYCJTP-JOCHJYFZSA-N 1 0 419.573 5.275 40 0 HKABRO COc1ccc2c(c1)CC[NH+]=C2Cc1cc(OCc2ccccc2)c(OC)cc1C ZINC000096316369 291295438 /nfs/dbraw/zinc/29/54/38/291295438.db2.gz AWYZATHQLCPHEZ-UHFFFAOYSA-N 1 0 401.506 5.179 40 0 biogenic,in-vitro HKABRO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000096625778 559111703 /nfs/dbraw/zinc/11/17/03/559111703.db2.gz PSDXXSWCMRSJDT-UHFFFAOYSA-N 1 0 412.839 5.089 40 0 HKABRO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000096625791 559111699 /nfs/dbraw/zinc/11/16/99/559111699.db2.gz UBPGROATDKXSCF-UHFFFAOYSA-N 1 0 411.977 5.181 40 0 HKABRO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096625860 559111774 /nfs/dbraw/zinc/11/17/74/559111774.db2.gz YHQXMKQSUMBCGO-UHFFFAOYSA-N 1 0 412.839 5.089 40 0 HKABRO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096625873 559111707 /nfs/dbraw/zinc/11/17/07/559111707.db2.gz RVIYZASTHJKNSR-UHFFFAOYSA-N 1 0 411.977 5.181 40 0 HKABRO O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000096627140 559111730 /nfs/dbraw/zinc/11/17/30/559111730.db2.gz SKUOIQOQRKKGSP-HNNXBMFYSA-N 1 0 412.839 5.089 40 0 HKABRO O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000096627141 559111695 /nfs/dbraw/zinc/11/16/95/559111695.db2.gz SKUOIQOQRKKGSP-OAHLLOKOSA-N 1 0 412.839 5.089 40 0 HKABRO O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000096627170 559111725 /nfs/dbraw/zinc/11/17/25/559111725.db2.gz KAYJTSMNQCQASC-FQEVSTJZSA-N 1 0 411.977 5.181 40 0 HKABRO O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000096627171 559111716 /nfs/dbraw/zinc/11/17/16/559111716.db2.gz KAYJTSMNQCQASC-HXUWFJFHSA-N 1 0 411.977 5.181 40 0 HKABRO COc1ccccc1[C@@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@@H]1C ZINC000101659418 560729273 /nfs/dbraw/zinc/72/92/73/560729273.db2.gz VXHVUKKYMOSWJM-MUDGOKMXSA-N 1 0 401.550 5.612 40 0 HKABRO COc1ccccc1[C@@]1(O)C[C@@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@@H]1C ZINC000101659422 560729330 /nfs/dbraw/zinc/72/93/30/560729330.db2.gz VXHVUKKYMOSWJM-HZVPBQBQSA-N 1 0 401.550 5.612 40 0 HKABRO COc1ccccc1[C@]1(O)C[C@@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@@H]1C ZINC000101659426 560729337 /nfs/dbraw/zinc/72/93/37/560729337.db2.gz VXHVUKKYMOSWJM-YJYUAFMYSA-N 1 0 401.550 5.612 40 0 HKABRO CCC[C@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC ZINC000102696866 559151995 /nfs/dbraw/zinc/15/19/95/559151995.db2.gz FFNLFWCXKWZQKH-AGIBEUSCSA-N 1 0 420.424 6.963 40 0 HKABRO CCC[C@@H]1[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC ZINC000102696869 559151945 /nfs/dbraw/zinc/15/19/45/559151945.db2.gz FFNLFWCXKWZQKH-IRFILORWSA-N 1 0 420.424 6.963 40 0 HKABRO CCC[C@H]1[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC ZINC000102696872 559152017 /nfs/dbraw/zinc/15/20/17/559152017.db2.gz FFNLFWCXKWZQKH-RADFVVHLSA-N 1 0 420.424 6.963 40 0 HKABRO COc1ccccc1[C@@]1(CC[NH2+][C@H](C)c2ccc(Cl)cc2)CCO[C@H](C(C)C)C1 ZINC000102708080 560732028 /nfs/dbraw/zinc/73/20/28/560732028.db2.gz DZYXLXFXKIWHKF-NGXZDTIWSA-N 1 0 416.005 6.162 40 0 HKABRO Cc1ccc([C@@]2(CC[NH2+][C@H](C)c3ccc(Cl)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000102709572 559152073 /nfs/dbraw/zinc/15/20/73/559152073.db2.gz VJRNJFGPKMJBSQ-YNJKOYDBSA-N 1 0 400.006 6.462 40 0 HKABRO CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4N5CCC[NH+]=C5CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000104153726 559158485 /nfs/dbraw/zinc/15/84/85/559158485.db2.gz GADHUERTDPPUEB-RJVGOVSJSA-N 1 0 424.717 7.699 40 0 HKABRO CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4N5CCC[NH+]=C5CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000104153730 559158513 /nfs/dbraw/zinc/15/85/13/559158513.db2.gz GADHUERTDPPUEB-UJDGCMPMSA-N 1 0 424.717 7.699 40 0 HKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4N5CCC[NH+]=C5CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000104153732 559158464 /nfs/dbraw/zinc/15/84/64/559158464.db2.gz GADHUERTDPPUEB-DZPCXWPPSA-N 1 0 424.717 7.699 40 0 HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4N5CCC[NH+]=C5CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000104153734 559158497 /nfs/dbraw/zinc/15/84/97/559158497.db2.gz GADHUERTDPPUEB-IAGVLEOYSA-N 1 0 424.717 7.699 40 0 HKABRO Clc1ccc([NH+]=C(NCc2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000105628090 560738974 /nfs/dbraw/zinc/73/89/74/560738974.db2.gz POSLUUGKTZCCDP-UHFFFAOYSA-N 1 0 410.948 6.959 40 0 HKABRO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000105825754 559163099 /nfs/dbraw/zinc/16/30/99/559163099.db2.gz IMTMMGXRAMGUDP-BCCVMWATSA-N 1 0 424.544 5.135 40 0 HKABRO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000105825756 559163068 /nfs/dbraw/zinc/16/30/68/559163068.db2.gz IMTMMGXRAMGUDP-HLPJKERBSA-N 1 0 424.544 5.135 40 0 HKABRO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000105825758 559163095 /nfs/dbraw/zinc/16/30/95/559163095.db2.gz IMTMMGXRAMGUDP-YKKMPQLRSA-N 1 0 424.544 5.135 40 0 HKABRO CCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000106013324 559163449 /nfs/dbraw/zinc/16/34/49/559163449.db2.gz FWIMWRAGFVUMJK-FVVUCMFRSA-N 1 0 403.541 6.152 40 0 HKABRO CCC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000106013327 559163428 /nfs/dbraw/zinc/16/34/28/559163428.db2.gz FWIMWRAGFVUMJK-RKGDIDPOSA-N 1 0 403.541 6.152 40 0 HKABRO CCC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000106013330 559163408 /nfs/dbraw/zinc/16/34/08/559163408.db2.gz FWIMWRAGFVUMJK-VMHSGMROSA-N 1 0 403.541 6.152 40 0 HKABRO C[NH+]1CCC(CCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000110406864 559173930 /nfs/dbraw/zinc/17/39/30/559173930.db2.gz NDNIECMMZDWCPG-UHFFFAOYSA-N 1 0 402.991 5.094 40 0 HKABRO CCCCCCOc1cc(OCCCCCC)c([N+]#N)c(OCCCCCC)c1 ZINC000113104215 568446944 /nfs/dbraw/zinc/44/69/44/568446944.db2.gz TXQVCXQOOFNDDI-UHFFFAOYSA-N 1 0 405.603 8.048 40 0 HKABRO O=C(Nc1ccc(F)cc1F)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958285 559183580 /nfs/dbraw/zinc/18/35/80/559183580.db2.gz WLXBHTFUTJXDNM-UHFFFAOYSA-N 1 0 420.503 5.672 40 0 HKABRO Cc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958520 560807087 /nfs/dbraw/zinc/80/70/87/560807087.db2.gz ZZABEGZOEKFYAQ-UHFFFAOYSA-N 1 0 412.577 6.010 40 0 HKABRO O=C(Nc1ccc(F)c(F)c1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958524 559183512 /nfs/dbraw/zinc/18/35/12/559183512.db2.gz IZOXRYSCTUCAKR-UHFFFAOYSA-N 1 0 420.503 5.672 40 0 HKABRO COc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958734 559183571 /nfs/dbraw/zinc/18/35/71/559183571.db2.gz FASGTNRMRODCPZ-UHFFFAOYSA-N 1 0 414.549 5.402 40 0 HKABRO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1C ZINC000113958738 559183588 /nfs/dbraw/zinc/18/35/88/559183588.db2.gz SMPAYYLPIUZKSU-UHFFFAOYSA-N 1 0 412.577 6.010 40 0 HKABRO CCc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958795 559183536 /nfs/dbraw/zinc/18/35/36/559183536.db2.gz UGCHSIUBNBCBPY-UHFFFAOYSA-N 1 0 412.577 5.956 40 0 HKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@@H]1C[C@H](C[NH+]1CCCCC1)C2=O ZINC000118915071 559205422 /nfs/dbraw/zinc/20/54/22/559205422.db2.gz YHCZRFRDIZKNKD-NJXSCQSYSA-N 1 0 401.635 5.061 40 0 HKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1C[C@H](C[NH+]1CCCCC1)C2=O ZINC000118915072 559205411 /nfs/dbraw/zinc/20/54/11/559205411.db2.gz YHCZRFRDIZKNKD-LUEXWORASA-N 1 0 401.635 5.061 40 0 HKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@@H]1C[C@@H](C[NH+]1CCCCC1)C2=O ZINC000118915073 559205421 /nfs/dbraw/zinc/20/54/21/559205421.db2.gz YHCZRFRDIZKNKD-DBMXSCAASA-N 1 0 401.635 5.061 40 0 HKABRO C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1C[C@@H](C[NH+]1CCCCC1)C2=O ZINC000118915074 559205431 /nfs/dbraw/zinc/20/54/31/559205431.db2.gz YHCZRFRDIZKNKD-LQWADKFHSA-N 1 0 401.635 5.061 40 0 HKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000118917508 559205694 /nfs/dbraw/zinc/20/56/94/559205694.db2.gz XYNPYHXGMWJBLV-UXFLACCZSA-N 1 0 415.662 5.367 40 0 in-man HKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000118917509 559205713 /nfs/dbraw/zinc/20/57/13/559205713.db2.gz XYNPYHXGMWJBLV-IZRQUEKYSA-N 1 0 415.662 5.367 40 0 in-man HKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000118917510 559205707 /nfs/dbraw/zinc/20/57/07/559205707.db2.gz XYNPYHXGMWJBLV-IKSKCRHHSA-N 1 0 415.662 5.367 40 0 in-man HKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@H](C)C[NH2+]2 ZINC000118917511 559205684 /nfs/dbraw/zinc/20/56/84/559205684.db2.gz XYNPYHXGMWJBLV-OFMODGJOSA-N 1 0 415.662 5.367 40 0 in-man HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922666 560869999 /nfs/dbraw/zinc/86/99/99/560869999.db2.gz WLHQSAYHIOPMMJ-JNYJZVOVSA-N 1 0 401.679 6.326 40 0 HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H]([NH3+])C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922667 560869983 /nfs/dbraw/zinc/86/99/83/560869983.db2.gz WLHQSAYHIOPMMJ-XIVKUWEPSA-N 1 0 401.679 6.326 40 0 HKABRO CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCC[NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925275 559206017 /nfs/dbraw/zinc/20/60/17/559206017.db2.gz NPTNCOUTQMAIFQ-JQSNCEKWSA-N 1 0 413.690 6.847 40 0 HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932457 559206405 /nfs/dbraw/zinc/20/64/05/559206405.db2.gz XANNAGNXGOOWOX-FLSRVGERSA-N 1 0 415.750 8.038 40 0 HKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932459 559206440 /nfs/dbraw/zinc/20/64/40/559206440.db2.gz XANNAGNXGOOWOX-LKHYOGBDSA-N 1 0 415.750 8.038 40 0 HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932461 559206443 /nfs/dbraw/zinc/20/64/43/559206443.db2.gz XANNAGNXGOOWOX-CWCJCEODSA-N 1 0 415.750 8.038 40 0 HKABRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@@H](C)C[NH2+]1 ZINC000118932687 559206408 /nfs/dbraw/zinc/20/64/08/559206408.db2.gz PNCADIYJKRZFGU-DWIBVDALSA-N 1 0 417.678 5.001 40 0 HKABRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@H](C)C[NH2+]1 ZINC000118932689 559206419 /nfs/dbraw/zinc/20/64/19/559206419.db2.gz PNCADIYJKRZFGU-FLCGVFMCSA-N 1 0 417.678 5.001 40 0 HKABRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC000118932692 559206384 /nfs/dbraw/zinc/20/63/84/559206384.db2.gz PNCADIYJKRZFGU-XRJKUTBASA-N 1 0 417.678 5.001 40 0 HKABRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC[C@H](C)C[NH2+]1 ZINC000118932694 559206431 /nfs/dbraw/zinc/20/64/31/559206431.db2.gz PNCADIYJKRZFGU-HKTUEGPFSA-N 1 0 417.678 5.001 40 0 HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118935380 559206581 /nfs/dbraw/zinc/20/65/81/559206581.db2.gz WHZUCKVXGABTPN-JZQQPFIGSA-N 1 0 413.734 7.958 40 0 HKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118935381 559206544 /nfs/dbraw/zinc/20/65/44/559206544.db2.gz WHZUCKVXGABTPN-ZLPMDMCDSA-N 1 0 413.734 7.958 40 0 HKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118935382 559206583 /nfs/dbraw/zinc/20/65/83/559206583.db2.gz WHZUCKVXGABTPN-VFGXHBSASA-N 1 0 413.734 7.958 40 0 HKABRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000136695995 560629553 /nfs/dbraw/zinc/62/95/53/560629553.db2.gz XYNPYHXGMWJBLV-UQHLGXRBSA-N 1 0 415.662 5.367 40 0 biogenic,in-vitro HKABRO COc1ccc(-c2ccc(CNc3ccc(C[NH+]4CCC(C)CC4)cc3)cc2)cc1 ZINC000141525177 569354593 /nfs/dbraw/zinc/35/45/93/569354593.db2.gz VCLPOKQMYJTNNV-UHFFFAOYSA-N 1 0 400.566 6.206 40 0 HKABRO COc1ccccc1-c1ccc(CNc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000141525763 569354663 /nfs/dbraw/zinc/35/46/63/569354663.db2.gz CKRCCDSAQHOCNT-UHFFFAOYSA-N 1 0 400.566 6.206 40 0 HKABRO Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000141525954 569354707 /nfs/dbraw/zinc/35/47/07/569354707.db2.gz BCBNMIUYEOMYLU-UHFFFAOYSA-N 1 0 406.549 5.472 40 0 HKABRO C[NH+]1CCC(N(Cc2cccc(-c3cccc(F)c3)c2)Cc2ccccc2Cl)CC1 ZINC000141528569 569354582 /nfs/dbraw/zinc/35/45/82/569354582.db2.gz HJKGFGAHNUFCOG-UHFFFAOYSA-N 1 0 422.975 6.243 40 0 HKABRO COc1ccc(-c2cccc(C[N@H+](Cc3ccccc3)C3CCN(C)CC3)c2)cc1 ZINC000141529168 571132123 /nfs/dbraw/zinc/13/21/23/571132123.db2.gz QEFILZVFAGUCHI-UHFFFAOYSA-N 1 0 400.566 5.459 40 0 HKABRO COc1ccc(-c2cccc(CNc3ccc(C[NH+]4CCC(C)CC4)cc3)c2)cc1 ZINC000141529371 569354600 /nfs/dbraw/zinc/35/46/00/569354600.db2.gz AWAFPUHRGPCXNR-UHFFFAOYSA-N 1 0 400.566 6.206 40 0 HKABRO C[NH+]1CCC(N(Cc2ccc(-c3cccc(F)c3)cc2)Cc2ccccc2Cl)CC1 ZINC000141530346 569354643 /nfs/dbraw/zinc/35/46/43/569354643.db2.gz CDHQHVZFTKQVRT-UHFFFAOYSA-N 1 0 422.975 6.243 40 0 HKABRO C[NH+]1CCC(N(Cc2ccc(-c3ccc(F)cc3)cc2)Cc2ccccc2Cl)CC1 ZINC000141533353 569354632 /nfs/dbraw/zinc/35/46/32/569354632.db2.gz SOPUGDVWNHNWAX-UHFFFAOYSA-N 1 0 422.975 6.243 40 0 HKABRO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000141536187 569354596 /nfs/dbraw/zinc/35/45/96/569354596.db2.gz LPPHXYRFLUTCPM-IBGZPJMESA-N 1 0 403.570 5.649 40 0 HKABRO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2C)c1 ZINC000141536387 569354588 /nfs/dbraw/zinc/35/45/88/569354588.db2.gz LPPHXYRFLUTCPM-LJQANCHMSA-N 1 0 403.570 5.649 40 0 HKABRO CC1CCN(c2ccc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)cc2)CC1 ZINC000141539315 569354615 /nfs/dbraw/zinc/35/46/15/569354615.db2.gz BFOYALJUHGYBOC-NRFANRHFSA-N 1 0 405.586 5.550 40 0 HKABRO CC1CCN(c2ccc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)cc2)CC1 ZINC000141539496 569354602 /nfs/dbraw/zinc/35/46/02/569354602.db2.gz BFOYALJUHGYBOC-OAQYLSRUSA-N 1 0 405.586 5.550 40 0 HKABRO Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)c2c1 ZINC000141564732 569354953 /nfs/dbraw/zinc/35/49/53/569354953.db2.gz VDTOXDJPICRRFB-FQEVSTJZSA-N 1 0 417.553 5.244 40 0 HKABRO Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)c2c1 ZINC000141564929 569354876 /nfs/dbraw/zinc/35/48/76/569354876.db2.gz VDTOXDJPICRRFB-HXUWFJFHSA-N 1 0 417.553 5.244 40 0 HKABRO Cc1cc2ncn(CCC(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)c2cc1C ZINC000141576409 569354922 /nfs/dbraw/zinc/35/49/22/569354922.db2.gz YKHMRTLZLVCBEE-FQEVSTJZSA-N 1 0 404.558 5.056 40 0 HKABRO Cc1cc2ncn(CCC(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)c2cc1C ZINC000141576602 569354859 /nfs/dbraw/zinc/35/48/59/569354859.db2.gz YKHMRTLZLVCBEE-HXUWFJFHSA-N 1 0 404.558 5.056 40 0 HKABRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000141576987 569354942 /nfs/dbraw/zinc/35/49/42/569354942.db2.gz INHKZFLYOYQPJG-CQSZACIVSA-N 1 0 416.447 5.208 40 0 HKABRO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000141577191 569354901 /nfs/dbraw/zinc/35/49/01/569354901.db2.gz INHKZFLYOYQPJG-AWEZNQCLSA-N 1 0 416.447 5.208 40 0 HKABRO CC1CC[NH+](Cc2cccc(NC(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)c2)CC1 ZINC000141577388 569354910 /nfs/dbraw/zinc/35/49/10/569354910.db2.gz FWMKVIXYMYSDQF-UHFFFAOYSA-N 1 0 416.447 5.066 40 0 HKABRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000141583813 569354855 /nfs/dbraw/zinc/35/48/55/569354855.db2.gz KZJJYUHPPMHCQR-MRXNPFEDSA-N 1 0 409.917 5.622 40 0 HKABRO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000141584007 569354931 /nfs/dbraw/zinc/35/49/31/569354931.db2.gz KZJJYUHPPMHCQR-INIZCTEOSA-N 1 0 409.917 5.622 40 0 HKABRO CC1CC[NH+](Cc2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)CC1 ZINC000141584217 569354936 /nfs/dbraw/zinc/35/49/36/569354936.db2.gz BGNBXOITJDKOCG-UHFFFAOYSA-N 1 0 409.917 5.479 40 0 HKABRO Cc1c2cc(Cl)ccc2n(C)c1C(=O)N[C@@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000141595800 569355031 /nfs/dbraw/zinc/35/50/31/569355031.db2.gz MCMCXHVIIFCKQH-QFIPXVFZSA-N 1 0 423.988 5.487 40 0 HKABRO Cc1c2cc(Cl)ccc2n(C)c1C(=O)N[C@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000141595992 569355036 /nfs/dbraw/zinc/35/50/36/569355036.db2.gz MCMCXHVIIFCKQH-JOCHJYFZSA-N 1 0 423.988 5.487 40 0 HKABRO Cc1c2cc(Cl)ccc2n(C)c1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000141596188 569355055 /nfs/dbraw/zinc/35/50/55/569355055.db2.gz DUPYMGUMSPIZIX-UHFFFAOYSA-N 1 0 401.982 5.059 40 0 HKABRO Fc1ccc(-c2cnc(Nc3cc(C[C@H]4CCC[C@@H]5C[NH2+]C[C@@H]54)ccn3)s2)cc1 ZINC000143326816 571269701 /nfs/dbraw/zinc/26/97/01/571269701.db2.gz VOXBSEMFKLOBNQ-QWFCFKBJSA-N 1 0 408.546 5.266 40 0 HKABRO C[N@H+](CCc1ccc(Nc2ncc(-c3cccnc3)s2)cc1)Cc1ccccc1 ZINC000205895184 568440666 /nfs/dbraw/zinc/44/06/66/568440666.db2.gz HCWMMJROAJNTCM-UHFFFAOYSA-N 1 0 400.551 5.623 40 0 HKABRO Cc1ccc([C@H](NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c2ccccc2)cc1 ZINC000216152003 568463461 /nfs/dbraw/zinc/46/34/61/568463461.db2.gz KUXDYOVTSDCGFH-AJTFRIOCSA-N 1 0 412.577 5.746 40 0 HKABRO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000216232392 568463759 /nfs/dbraw/zinc/46/37/59/568463759.db2.gz OEBLEUHGAQJGLD-ZBLYBZFDSA-N 1 0 412.577 5.746 40 0 HKABRO Cc1ccccc1[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000216232440 568463741 /nfs/dbraw/zinc/46/37/41/568463741.db2.gz OEBLEUHGAQJGLD-JIPXPUAJSA-N 1 0 412.577 5.746 40 0 HKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000216295467 568464190 /nfs/dbraw/zinc/46/41/90/568464190.db2.gz XIFKZOLGFXNQMS-UHFFFAOYSA-N 1 0 413.565 5.343 40 0 HKABRO Ic1cccc(-c2nc3cc(C[NH+]4CCCCC4)ccc3o2)c1 ZINC000216839259 569025590 /nfs/dbraw/zinc/02/55/90/569025590.db2.gz NEQHDKCNCPYORP-UHFFFAOYSA-N 1 0 418.278 5.085 40 0 HKABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 ZINC000219008362 568485861 /nfs/dbraw/zinc/48/58/61/568485861.db2.gz KZBKOJSTOHYAFF-UHFFFAOYSA-N 1 0 414.549 5.197 40 0 HKABRO C[NH+]1CCC(Oc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000219134919 568487081 /nfs/dbraw/zinc/48/70/81/568487081.db2.gz MXXMSLMWINNFSB-UHFFFAOYSA-N 1 0 414.549 5.320 40 0 HKABRO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 ZINC000219238337 568488281 /nfs/dbraw/zinc/48/82/81/568488281.db2.gz QQZHQQHBXOESPU-XXBNENTESA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 ZINC000219238396 568488347 /nfs/dbraw/zinc/48/83/47/568488347.db2.gz QQZHQQHBXOESPU-AUSIDOKSSA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000219238504 568488237 /nfs/dbraw/zinc/48/82/37/568488237.db2.gz UBJHGPYOOZQIBJ-XXBNENTESA-N 1 0 406.570 5.259 40 0 HKABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000219238569 568488384 /nfs/dbraw/zinc/48/83/84/568488384.db2.gz UBJHGPYOOZQIBJ-AUSIDOKSSA-N 1 0 406.570 5.259 40 0 HKABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219346225 568490334 /nfs/dbraw/zinc/49/03/34/568490334.db2.gz TULKAPSVOLFSNJ-XMMPIXPASA-N 1 0 418.537 5.109 40 0 HKABRO CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219346303 568490306 /nfs/dbraw/zinc/49/03/06/568490306.db2.gz TULKAPSVOLFSNJ-DEOSSOPVSA-N 1 0 418.537 5.109 40 0 HKABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219355666 568490473 /nfs/dbraw/zinc/49/04/73/568490473.db2.gz YFUHKLCBGIYBEI-RUZDIDTESA-N 1 0 418.537 5.109 40 0 HKABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219355741 568490488 /nfs/dbraw/zinc/49/04/88/568490488.db2.gz YFUHKLCBGIYBEI-VWLOTQADSA-N 1 0 418.537 5.109 40 0 HKABRO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000219411243 568491581 /nfs/dbraw/zinc/49/15/81/568491581.db2.gz GJMPHAWKJZTCNE-UHFFFAOYSA-N 1 0 413.005 5.424 40 0 HKABRO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000219412873 568491584 /nfs/dbraw/zinc/49/15/84/568491584.db2.gz SMQBQWZRJVDLNF-UHFFFAOYSA-N 1 0 413.005 5.424 40 0 HKABRO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000219414417 568491537 /nfs/dbraw/zinc/49/15/37/568491537.db2.gz FOASYOAKEBYPEF-UHFFFAOYSA-N 1 0 413.005 5.424 40 0 HKABRO O=C(NCCC1=CCCCC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219959747 568500317 /nfs/dbraw/zinc/50/03/17/568500317.db2.gz JNKOKJMYSSEDNY-UHFFFAOYSA-N 1 0 416.609 5.762 40 0 HKABRO O=C(NC1CCCCCCC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000219961713 568500542 /nfs/dbraw/zinc/50/05/42/568500542.db2.gz OAKCBRRYPMNZDY-UHFFFAOYSA-N 1 0 418.625 5.984 40 0 HKABRO O=C(c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)N1CCCc2ccccc21 ZINC000219961927 568500533 /nfs/dbraw/zinc/50/05/33/568500533.db2.gz JHLJPQQGZVHIMR-UHFFFAOYSA-N 1 0 424.588 5.734 40 0 HKABRO O=C(c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)N1CCc2ccccc21 ZINC000219962028 568500489 /nfs/dbraw/zinc/50/04/89/568500489.db2.gz GIJAULLIHBBCCX-UHFFFAOYSA-N 1 0 410.561 5.344 40 0 HKABRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000222014095 569052646 /nfs/dbraw/zinc/05/26/46/569052646.db2.gz CGJGZEUKMNJJMJ-ILBGXUMGSA-N 1 0 421.629 5.853 40 0 HKABRO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000222014159 569052649 /nfs/dbraw/zinc/05/26/49/569052649.db2.gz CGJGZEUKMNJJMJ-UKILVPOCSA-N 1 0 421.629 5.853 40 0 HKABRO CC(C)c1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000222597384 568519832 /nfs/dbraw/zinc/51/98/32/568519832.db2.gz DDQLKWIJCFYCLA-HSZRJFAPSA-N 1 0 413.005 5.424 40 0 HKABRO CC(C)c1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000222597446 568519837 /nfs/dbraw/zinc/51/98/37/568519837.db2.gz DDQLKWIJCFYCLA-QHCPKHFHSA-N 1 0 413.005 5.424 40 0 HKABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCCSc3ccc(Cl)cc3)cc2)CC1 ZINC000222697938 568524047 /nfs/dbraw/zinc/52/40/47/568524047.db2.gz WITACMPBPKSOBB-UHFFFAOYSA-N 1 0 418.990 5.324 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc2O1 ZINC000222729210 568524924 /nfs/dbraw/zinc/52/49/24/568524924.db2.gz HQUSVEPVBNAZSB-HSZRJFAPSA-N 1 0 424.560 5.237 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc2O1 ZINC000222729278 568524905 /nfs/dbraw/zinc/52/49/05/568524905.db2.gz HQUSVEPVBNAZSB-QHCPKHFHSA-N 1 0 424.560 5.237 40 0 HKABRO O=C(NCc1ccc2ccccc2c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000222749328 568525479 /nfs/dbraw/zinc/52/54/79/568525479.db2.gz AMZODQCHDZYFGE-UHFFFAOYSA-N 1 0 406.529 5.328 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c2ccccc2O1 ZINC000222824335 568527461 /nfs/dbraw/zinc/52/74/61/568527461.db2.gz ZSJCOOJCDFLXSZ-XMMPIXPASA-N 1 0 420.597 5.406 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c2ccccc2O1 ZINC000222824397 568527464 /nfs/dbraw/zinc/52/74/64/568527464.db2.gz ZSJCOOJCDFLXSZ-DEOSSOPVSA-N 1 0 420.597 5.406 40 0 HKABRO O=C(NCc1cccc2ccccc21)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000222828068 568527570 /nfs/dbraw/zinc/52/75/70/568527570.db2.gz INJALJAPDLQQKU-UHFFFAOYSA-N 1 0 406.529 5.328 40 0 HKABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222905986 568530284 /nfs/dbraw/zinc/53/02/84/568530284.db2.gz FFCPSXFXNJLSDM-OAQYLSRUSA-N 1 0 424.588 5.615 40 0 HKABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222906055 568530267 /nfs/dbraw/zinc/53/02/67/568530267.db2.gz FFCPSXFXNJLSDM-NRFANRHFSA-N 1 0 424.588 5.615 40 0 HKABRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000222942922 568531907 /nfs/dbraw/zinc/53/19/07/568531907.db2.gz COKCXHHHATUZSB-XMMPIXPASA-N 1 0 424.585 5.253 40 0 HKABRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000222942983 568531894 /nfs/dbraw/zinc/53/18/94/568531894.db2.gz COKCXHHHATUZSB-DEOSSOPVSA-N 1 0 424.585 5.253 40 0 HKABRO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000222954002 568532211 /nfs/dbraw/zinc/53/22/11/568532211.db2.gz WNGRFBOINNIBMF-UHFFFAOYSA-N 1 0 424.466 5.194 40 0 HKABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222974888 568532792 /nfs/dbraw/zinc/53/27/92/568532792.db2.gz RNDGDRMAZDAECI-GOSISDBHSA-N 1 0 410.989 5.308 40 0 HKABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222974949 568532786 /nfs/dbraw/zinc/53/27/86/568532786.db2.gz RNDGDRMAZDAECI-SFHVURJKSA-N 1 0 410.989 5.308 40 0 HKABRO C[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975021 568532775 /nfs/dbraw/zinc/53/27/75/568532775.db2.gz DHBGMFOTEKVFDC-GOSISDBHSA-N 1 0 410.989 5.308 40 0 HKABRO C[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975080 568532749 /nfs/dbraw/zinc/53/27/49/568532749.db2.gz DHBGMFOTEKVFDC-SFHVURJKSA-N 1 0 410.989 5.308 40 0 HKABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975168 568532804 /nfs/dbraw/zinc/53/28/04/568532804.db2.gz BUUFFPMOHHYGPG-GOSISDBHSA-N 1 0 410.989 5.308 40 0 HKABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975233 568532857 /nfs/dbraw/zinc/53/28/57/568532857.db2.gz BUUFFPMOHHYGPG-SFHVURJKSA-N 1 0 410.989 5.308 40 0 HKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000222990482 568533480 /nfs/dbraw/zinc/53/34/80/568533480.db2.gz FEUPOROYTAOFDS-JOCHJYFZSA-N 1 0 414.977 5.137 40 0 HKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000222990544 568533503 /nfs/dbraw/zinc/53/35/03/568533503.db2.gz FEUPOROYTAOFDS-QFIPXVFZSA-N 1 0 414.977 5.137 40 0 HKABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000222992772 568533603 /nfs/dbraw/zinc/53/36/03/568533603.db2.gz CYOSFXFDJUIMNR-WZONZLPQSA-N 1 0 410.989 5.308 40 0 HKABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000222992841 568533646 /nfs/dbraw/zinc/53/36/46/568533646.db2.gz CYOSFXFDJUIMNR-FDDCHVKYSA-N 1 0 410.989 5.308 40 0 HKABRO Cc1ccc(-c2nnc(NC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)s2)cc1 ZINC000223074421 568536512 /nfs/dbraw/zinc/53/65/12/568536512.db2.gz ROIVIZBIOKXMEN-UHFFFAOYSA-N 1 0 406.555 5.142 40 0 HKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223090726 568537197 /nfs/dbraw/zinc/53/71/97/568537197.db2.gz MYCJDZOOEVNKSO-AREMUKBSSA-N 1 0 404.598 5.678 40 0 HKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223090783 568537232 /nfs/dbraw/zinc/53/72/32/568537232.db2.gz MYCJDZOOEVNKSO-SANMLTNESA-N 1 0 404.598 5.678 40 0 HKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223090861 568537210 /nfs/dbraw/zinc/53/72/10/568537210.db2.gz YRIHJJINHCOHCJ-FQRUVTKNSA-N 1 0 404.598 5.678 40 0 HKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223090909 568537200 /nfs/dbraw/zinc/53/72/00/568537200.db2.gz YRIHJJINHCOHCJ-IBVKSMDESA-N 1 0 404.598 5.678 40 0 HKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(OC)c(C)c1 ZINC000223095243 568537418 /nfs/dbraw/zinc/53/74/18/568537418.db2.gz CXFSELBBKTWDAL-JOCHJYFZSA-N 1 0 414.977 5.137 40 0 HKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(OC)c(C)c1 ZINC000223095304 568537449 /nfs/dbraw/zinc/53/74/49/568537449.db2.gz CXFSELBBKTWDAL-QFIPXVFZSA-N 1 0 414.977 5.137 40 0 HKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc2c(c1)CCCC2 ZINC000223103066 568537706 /nfs/dbraw/zinc/53/77/06/568537706.db2.gz CIGVOHVKBWLVFU-AREMUKBSSA-N 1 0 404.598 5.353 40 0 HKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc2c(c1)CCCC2 ZINC000223103134 568537639 /nfs/dbraw/zinc/53/76/39/568537639.db2.gz CIGVOHVKBWLVFU-SANMLTNESA-N 1 0 404.598 5.353 40 0 HKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103215 568537687 /nfs/dbraw/zinc/53/76/87/568537687.db2.gz NCSYXKRXDGXIBH-AREMUKBSSA-N 1 0 404.598 5.353 40 0 HKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103278 568537683 /nfs/dbraw/zinc/53/76/83/568537683.db2.gz NCSYXKRXDGXIBH-SANMLTNESA-N 1 0 404.598 5.353 40 0 HKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103362 568537701 /nfs/dbraw/zinc/53/77/01/568537701.db2.gz XZJJCTXBASVCQG-AREMUKBSSA-N 1 0 404.598 5.353 40 0 HKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103411 568537627 /nfs/dbraw/zinc/53/76/27/568537627.db2.gz XZJJCTXBASVCQG-SANMLTNESA-N 1 0 404.598 5.353 40 0 HKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223104714 568537712 /nfs/dbraw/zinc/53/77/12/568537712.db2.gz NBOJLFXWHWJJJL-RUZDIDTESA-N 1 0 408.561 5.184 40 0 HKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223104765 568537635 /nfs/dbraw/zinc/53/76/35/568537635.db2.gz NBOJLFXWHWJJJL-VWLOTQADSA-N 1 0 408.561 5.184 40 0 HKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223104851 568537695 /nfs/dbraw/zinc/53/76/95/568537695.db2.gz PBHISEBDJUNMPD-RUZDIDTESA-N 1 0 408.561 5.184 40 0 HKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223104895 568537698 /nfs/dbraw/zinc/53/76/98/568537698.db2.gz PBHISEBDJUNMPD-VWLOTQADSA-N 1 0 408.561 5.184 40 0 HKABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223110976 568537846 /nfs/dbraw/zinc/53/78/46/568537846.db2.gz SGPHQKYDCYDFLF-AREMUKBSSA-N 1 0 404.598 5.823 40 0 HKABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223111034 568537890 /nfs/dbraw/zinc/53/78/90/568537890.db2.gz SGPHQKYDCYDFLF-SANMLTNESA-N 1 0 404.598 5.823 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c2ccccc2O1 ZINC000223112802 568537982 /nfs/dbraw/zinc/53/79/82/568537982.db2.gz OOSGANSPZXRJPQ-XMMPIXPASA-N 1 0 420.597 5.406 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c2ccccc2O1 ZINC000223113627 568537985 /nfs/dbraw/zinc/53/79/85/568537985.db2.gz OOSGANSPZXRJPQ-DEOSSOPVSA-N 1 0 420.597 5.406 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000223116982 568538150 /nfs/dbraw/zinc/53/81/50/568538150.db2.gz JYZQIPSFXPXTNJ-NFBKMPQASA-N 1 0 424.560 5.237 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000223117039 568538127 /nfs/dbraw/zinc/53/81/27/568538127.db2.gz JYZQIPSFXPXTNJ-OFNKIYASSA-N 1 0 424.560 5.237 40 0 HKABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000223123554 568538462 /nfs/dbraw/zinc/53/84/62/568538462.db2.gz IFNYCQWQHPRAOO-ILBGXUMGSA-N 1 0 408.561 5.184 40 0 HKABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000223123616 568538491 /nfs/dbraw/zinc/53/84/91/568538491.db2.gz IFNYCQWQHPRAOO-NOZRDPDXSA-N 1 0 408.561 5.184 40 0 HKABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCC2 ZINC000223154043 568539641 /nfs/dbraw/zinc/53/96/41/568539641.db2.gz FLQRLTSRCWTTHW-HXUWFJFHSA-N 1 0 410.561 5.225 40 0 HKABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCC2 ZINC000223154099 568539644 /nfs/dbraw/zinc/53/96/44/568539644.db2.gz FLQRLTSRCWTTHW-FQEVSTJZSA-N 1 0 410.561 5.225 40 0 HKABRO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C(C)C ZINC000223314611 568545023 /nfs/dbraw/zinc/54/50/23/568545023.db2.gz UDDNHOYOYVZVLY-HXUWFJFHSA-N 1 0 408.586 5.604 40 0 HKABRO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C(C)C ZINC000223314668 568544989 /nfs/dbraw/zinc/54/49/89/568544989.db2.gz UDDNHOYOYVZVLY-FQEVSTJZSA-N 1 0 408.586 5.604 40 0 HKABRO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C(C)C ZINC000223337019 568545636 /nfs/dbraw/zinc/54/56/36/568545636.db2.gz KZCCGFGSPBQQQS-OAQYLSRUSA-N 1 0 422.613 5.850 40 0 HKABRO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C(C)C ZINC000223337074 568545620 /nfs/dbraw/zinc/54/56/20/568545620.db2.gz KZCCGFGSPBQQQS-NRFANRHFSA-N 1 0 422.613 5.850 40 0 HKABRO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1C(C)C ZINC000223337157 568545609 /nfs/dbraw/zinc/54/56/09/568545609.db2.gz RRSWGAIHAOTNGJ-TZIWHRDSSA-N 1 0 422.613 5.850 40 0 HKABRO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1C(C)C ZINC000223337223 568545579 /nfs/dbraw/zinc/54/55/79/568545579.db2.gz RRSWGAIHAOTNGJ-CTNGQTDRSA-N 1 0 422.613 5.850 40 0 HKABRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C(C)C ZINC000223348587 568545998 /nfs/dbraw/zinc/54/59/98/568545998.db2.gz USNNYRORXMJVDO-HXUWFJFHSA-N 1 0 408.586 5.216 40 0 HKABRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C(C)C ZINC000223348643 568546060 /nfs/dbraw/zinc/54/60/60/568546060.db2.gz USNNYRORXMJVDO-FQEVSTJZSA-N 1 0 408.586 5.216 40 0 HKABRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1C(C)C ZINC000223348713 568546129 /nfs/dbraw/zinc/54/61/29/568546129.db2.gz XQINAXJHGZAAFQ-OAQYLSRUSA-N 1 0 422.613 5.525 40 0 HKABRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1C(C)C ZINC000223348767 568546097 /nfs/dbraw/zinc/54/60/97/568546097.db2.gz XQINAXJHGZAAFQ-NRFANRHFSA-N 1 0 422.613 5.525 40 0 HKABRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1C(C)C ZINC000223348844 568546069 /nfs/dbraw/zinc/54/60/69/568546069.db2.gz VMHCCIXCMITBJH-OAQYLSRUSA-N 1 0 422.613 5.525 40 0 HKABRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1C(C)C ZINC000223348899 568546106 /nfs/dbraw/zinc/54/61/06/568546106.db2.gz VMHCCIXCMITBJH-NRFANRHFSA-N 1 0 422.613 5.525 40 0 HKABRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1C(C)C ZINC000223348988 568546146 /nfs/dbraw/zinc/54/61/46/568546146.db2.gz WZKHMTKMFYLNEV-OAQYLSRUSA-N 1 0 422.613 5.525 40 0 HKABRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1C(C)C ZINC000223349046 568546086 /nfs/dbraw/zinc/54/60/86/568546086.db2.gz WZKHMTKMFYLNEV-NRFANRHFSA-N 1 0 422.613 5.525 40 0 HKABRO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1C(C)C ZINC000223356248 568546302 /nfs/dbraw/zinc/54/63/02/568546302.db2.gz WYKJJJYRZHQQIZ-OAQYLSRUSA-N 1 0 422.613 5.994 40 0 HKABRO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1C(C)C ZINC000223356299 568546322 /nfs/dbraw/zinc/54/63/22/568546322.db2.gz WYKJJJYRZHQQIZ-NRFANRHFSA-N 1 0 422.613 5.994 40 0 HKABRO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000223399482 568547430 /nfs/dbraw/zinc/54/74/30/568547430.db2.gz VDFRQYRNZQQJQQ-JOCHJYFZSA-N 1 0 412.577 5.661 40 0 HKABRO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000223399544 568547410 /nfs/dbraw/zinc/54/74/10/568547410.db2.gz VDFRQYRNZQQJQQ-QFIPXVFZSA-N 1 0 412.577 5.661 40 0 HKABRO O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223416483 568548230 /nfs/dbraw/zinc/54/82/30/568548230.db2.gz AHDKTYRQVKHYJU-UHFFFAOYSA-N 1 0 418.540 5.749 40 0 HKABRO O=C(NCCOc1cccc2ccccc21)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000223559826 568551702 /nfs/dbraw/zinc/55/17/02/568551702.db2.gz ZMDDIKBDAXLRJD-UHFFFAOYSA-N 1 0 402.538 5.025 40 0 HKABRO O=C(NCCOc1ccc2ccccc2c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000223629279 568554020 /nfs/dbraw/zinc/55/40/20/568554020.db2.gz XTCIFMXTYDFULW-UHFFFAOYSA-N 1 0 402.538 5.025 40 0 HKABRO CC(C)(C)c1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000223650084 568554883 /nfs/dbraw/zinc/55/48/83/568554883.db2.gz WEVDWWYSKJCDIH-UHFFFAOYSA-N 1 0 408.586 5.169 40 0 HKABRO CC1CC[NH+](Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)CC1 ZINC000223709605 568556927 /nfs/dbraw/zinc/55/69/27/568556927.db2.gz NGLRXDWPXPTDFK-UHFFFAOYSA-N 1 0 408.586 5.025 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)C1 ZINC000223709688 568556951 /nfs/dbraw/zinc/55/69/51/568556951.db2.gz ANFWONNYUWSTHB-HXUWFJFHSA-N 1 0 408.586 5.025 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)C1 ZINC000223709755 568556930 /nfs/dbraw/zinc/55/69/30/568556930.db2.gz ANFWONNYUWSTHB-FQEVSTJZSA-N 1 0 408.586 5.025 40 0 HKABRO CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000223721042 568557416 /nfs/dbraw/zinc/55/74/16/568557416.db2.gz WUNSMOHGNTWHDK-UHFFFAOYSA-N 1 0 408.586 5.169 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000223743141 568557780 /nfs/dbraw/zinc/55/77/80/568557780.db2.gz WIXXKVHJVSAQBV-HSZRJFAPSA-N 1 0 406.570 5.097 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000223743193 568557810 /nfs/dbraw/zinc/55/78/10/568557810.db2.gz WIXXKVHJVSAQBV-QHCPKHFHSA-N 1 0 406.570 5.097 40 0 HKABRO c1ccc(-c2ccc(-c3n(-c4ccccc4)c4ccccc4[n+]3-c3ccccc3)cc2)cc1 ZINC000223814146 568559765 /nfs/dbraw/zinc/55/97/65/568559765.db2.gz RPJGQVJPMKJDQE-UHFFFAOYSA-N 1 0 423.539 7.241 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c2ccccc2O1 ZINC000224272790 568576089 /nfs/dbraw/zinc/57/60/89/568576089.db2.gz ZWCBZBMCLWWMSC-HSZRJFAPSA-N 1 0 424.560 5.237 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c2ccccc2O1 ZINC000224272848 568576066 /nfs/dbraw/zinc/57/60/66/568576066.db2.gz ZWCBZBMCLWWMSC-QHCPKHFHSA-N 1 0 424.560 5.237 40 0 HKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000224334802 568578260 /nfs/dbraw/zinc/57/82/60/568578260.db2.gz LLLSAFZWTIRHFZ-HXUWFJFHSA-N 1 0 408.586 5.025 40 0 HKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000224334854 568578282 /nfs/dbraw/zinc/57/82/82/568578282.db2.gz LLLSAFZWTIRHFZ-FQEVSTJZSA-N 1 0 408.586 5.025 40 0 HKABRO O=C(CCCSc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224514899 568583251 /nfs/dbraw/zinc/58/32/51/568583251.db2.gz CYMITJQGZIOETL-UHFFFAOYSA-N 1 0 402.991 5.125 40 0 HKABRO O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515035 568583276 /nfs/dbraw/zinc/58/32/76/568583276.db2.gz VLUMXAIEYSEHOC-UHFFFAOYSA-N 1 0 423.409 5.139 40 0 HKABRO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515109 568583321 /nfs/dbraw/zinc/58/33/21/568583321.db2.gz UJOIPNOJJSXUPL-UHFFFAOYSA-N 1 0 423.409 5.139 40 0 HKABRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515509 568583337 /nfs/dbraw/zinc/58/33/37/568583337.db2.gz JYMKPBFLZMBQNX-XMMPIXPASA-N 1 0 408.586 5.054 40 0 HKABRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515563 568583245 /nfs/dbraw/zinc/58/32/45/568583245.db2.gz JYMKPBFLZMBQNX-DEOSSOPVSA-N 1 0 408.586 5.054 40 0 HKABRO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224533032 568583889 /nfs/dbraw/zinc/58/38/89/568583889.db2.gz DDGDPIOUOHGKSR-UHFFFAOYSA-N 1 0 418.924 6.090 40 0 HKABRO O=C(Nc1ccc(Cc2ccncc2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224533322 568583836 /nfs/dbraw/zinc/58/38/36/568583836.db2.gz ZQOMHTWSMFABCC-UHFFFAOYSA-N 1 0 419.956 5.177 40 0 HKABRO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224533775 568583983 /nfs/dbraw/zinc/58/39/83/568583983.db2.gz MKEVXEOWBRFTDC-UHFFFAOYSA-N 1 0 404.941 5.443 40 0 HKABRO O=C(CCCSc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224534512 568584038 /nfs/dbraw/zinc/58/40/38/568584038.db2.gz FZRPLUMKTKSQHR-UHFFFAOYSA-N 1 0 417.018 5.515 40 0 HKABRO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224534831 568584003 /nfs/dbraw/zinc/58/40/03/568584003.db2.gz OHBPEJKPQKOWNO-UHFFFAOYSA-N 1 0 418.924 6.090 40 0 HKABRO O=C(Nc1ccc(Cc2ccncc2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224535136 568584005 /nfs/dbraw/zinc/58/40/05/568584005.db2.gz GQWQAGRUKSXOCH-UHFFFAOYSA-N 1 0 419.956 5.177 40 0 HKABRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224535239 568583963 /nfs/dbraw/zinc/58/39/63/568583963.db2.gz YUKARYPOCPNVQM-RUZDIDTESA-N 1 0 422.613 5.444 40 0 HKABRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224535290 568583966 /nfs/dbraw/zinc/58/39/66/568583966.db2.gz YUKARYPOCPNVQM-VWLOTQADSA-N 1 0 422.613 5.444 40 0 HKABRO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224535580 568584020 /nfs/dbraw/zinc/58/40/20/568584020.db2.gz PMKFJKZLHDCHKJ-UHFFFAOYSA-N 1 0 404.941 5.443 40 0 HKABRO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224535588 568583985 /nfs/dbraw/zinc/58/39/85/568583985.db2.gz KXTIPLVYFHCGKY-HSZRJFAPSA-N 1 0 414.977 5.108 40 0 HKABRO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224535636 568583992 /nfs/dbraw/zinc/58/39/92/568583992.db2.gz KXTIPLVYFHCGKY-QHCPKHFHSA-N 1 0 414.977 5.108 40 0 HKABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000224536228 568584027 /nfs/dbraw/zinc/58/40/27/568584027.db2.gz OCDXAWDGQFJNIX-NRFANRHFSA-N 1 0 408.586 5.188 40 0 HKABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000224536269 568583978 /nfs/dbraw/zinc/58/39/78/568583978.db2.gz OCDXAWDGQFJNIX-OAQYLSRUSA-N 1 0 408.586 5.188 40 0 HKABRO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224536727 568583976 /nfs/dbraw/zinc/58/39/76/568583976.db2.gz FTVFQOQCXCCBQT-UHFFFAOYSA-N 1 0 418.924 6.090 40 0 HKABRO O=C(Nc1ccc(Cc2ccncc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224537145 568584106 /nfs/dbraw/zinc/58/41/06/568584106.db2.gz LMLSPFCSUBNELE-UHFFFAOYSA-N 1 0 419.956 5.177 40 0 HKABRO O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224537482 568584143 /nfs/dbraw/zinc/58/41/43/568584143.db2.gz VRNCIYYKLAWWMN-UHFFFAOYSA-N 1 0 420.981 5.015 40 0 HKABRO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224537558 568584112 /nfs/dbraw/zinc/58/41/12/568584112.db2.gz XDWZHCDMBNNRCD-UHFFFAOYSA-N 1 0 404.941 5.443 40 0 HKABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224539436 568584170 /nfs/dbraw/zinc/58/41/70/568584170.db2.gz KJBXMWRFICHULU-UHFFFAOYSA-N 1 0 405.369 5.228 40 0 HKABRO O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224539502 568584134 /nfs/dbraw/zinc/58/41/34/568584134.db2.gz RPTDYNLJKKKVDI-UHFFFAOYSA-N 1 0 405.369 5.228 40 0 HKABRO O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224539570 568584138 /nfs/dbraw/zinc/58/41/38/568584138.db2.gz TYVRQUPEVCDFGH-UHFFFAOYSA-N 1 0 405.369 5.228 40 0 HKABRO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224551451 568584657 /nfs/dbraw/zinc/58/46/57/568584657.db2.gz ZWWLZCSHJVSMJF-UHFFFAOYSA-N 1 0 402.469 5.576 40 0 HKABRO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224553111 568584940 /nfs/dbraw/zinc/58/49/40/568584940.db2.gz CAOKFAHUQMNZTP-UHFFFAOYSA-N 1 0 402.469 5.576 40 0 HKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(CSc2ccccc2)cc1 ZINC000224590875 568586725 /nfs/dbraw/zinc/58/67/25/568586725.db2.gz YOEANVBMSVBIOC-UHFFFAOYSA-N 1 0 416.590 5.505 40 0 HKABRO O=C(CSCc1c(Cl)cccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224592216 568586650 /nfs/dbraw/zinc/58/66/50/568586650.db2.gz RZBCDCXUHLGXHD-UHFFFAOYSA-N 1 0 423.409 5.139 40 0 HKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1SCc1ccccc1 ZINC000224612914 568588084 /nfs/dbraw/zinc/58/80/84/568588084.db2.gz SMYVWXUCSTWYPY-UHFFFAOYSA-N 1 0 416.590 5.505 40 0 HKABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224625091 568588952 /nfs/dbraw/zinc/58/89/52/568588952.db2.gz UEYCJRSQTDHCFV-OAQYLSRUSA-N 1 0 402.991 5.123 40 0 HKABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224625137 568588889 /nfs/dbraw/zinc/58/88/89/568588889.db2.gz UEYCJRSQTDHCFV-NRFANRHFSA-N 1 0 402.991 5.123 40 0 HKABRO O=C(CCCSc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224635501 568589775 /nfs/dbraw/zinc/58/97/75/568589775.db2.gz GQTQWCZPZBMFQU-UHFFFAOYSA-N 1 0 402.991 5.125 40 0 HKABRO O=C(CSCc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224635622 568589823 /nfs/dbraw/zinc/58/98/23/568589823.db2.gz MJBDABIFLUEOCP-UHFFFAOYSA-N 1 0 423.409 5.139 40 0 HKABRO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224635690 568589779 /nfs/dbraw/zinc/58/97/79/568589779.db2.gz GHEDKPSMECXUKW-UHFFFAOYSA-N 1 0 423.409 5.139 40 0 HKABRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224636170 568589789 /nfs/dbraw/zinc/58/97/89/568589789.db2.gz CQUIDAGHUCGUFO-XMMPIXPASA-N 1 0 408.586 5.054 40 0 HKABRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224636214 568589780 /nfs/dbraw/zinc/58/97/80/568589780.db2.gz CQUIDAGHUCGUFO-DEOSSOPVSA-N 1 0 408.586 5.054 40 0 HKABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224643828 568590286 /nfs/dbraw/zinc/59/02/86/568590286.db2.gz KQPUOFOPYRUZGK-CSKARUKUSA-N 1 0 403.353 5.309 40 0 HKABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224644878 568590232 /nfs/dbraw/zinc/59/02/32/568590232.db2.gz UPGUTYOCYIPEGM-QGZVFWFLSA-N 1 0 402.991 5.123 40 0 HKABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224644923 568590295 /nfs/dbraw/zinc/59/02/95/568590295.db2.gz UPGUTYOCYIPEGM-KRWDZBQOSA-N 1 0 402.991 5.123 40 0 HKABRO O=C(CCSc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645825 568590378 /nfs/dbraw/zinc/59/03/78/568590378.db2.gz XQLYYHIGEKSOMA-UHFFFAOYSA-N 1 0 402.991 5.125 40 0 HKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)/C(=C/c1ccco1)c1ccccc1 ZINC000224646174 568590349 /nfs/dbraw/zinc/59/03/49/568590349.db2.gz LTWJDIZJJWWAIW-XIEYBQDHSA-N 1 0 400.522 5.123 40 0 HKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)/C(=C/c1ccccc1)c1ccccc1 ZINC000224647265 568590371 /nfs/dbraw/zinc/59/03/71/568590371.db2.gz VUDDXJCTWPVCAV-NHFJDJAPSA-N 1 0 410.561 5.530 40 0 HKABRO O=C(CSCc1c(F)cccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224647551 568590356 /nfs/dbraw/zinc/59/03/56/568590356.db2.gz FXVLQUQDFAKKLH-UHFFFAOYSA-N 1 0 420.981 5.015 40 0 HKABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224670298 568591704 /nfs/dbraw/zinc/59/17/04/568591704.db2.gz NMFLMWIPECOEQU-HXUWFJFHSA-N 1 0 408.586 5.054 40 0 HKABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224670342 568591665 /nfs/dbraw/zinc/59/16/65/568591665.db2.gz NMFLMWIPECOEQU-FQEVSTJZSA-N 1 0 408.586 5.054 40 0 HKABRO Cc1cc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc(C)c1Cl ZINC000224670800 568591703 /nfs/dbraw/zinc/59/17/03/568591703.db2.gz JJZBPDRUPXQBJT-IBGZPJMESA-N 1 0 414.977 5.026 40 0 HKABRO Cc1cc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc(C)c1Cl ZINC000224670843 568591708 /nfs/dbraw/zinc/59/17/08/568591708.db2.gz JJZBPDRUPXQBJT-LJQANCHMSA-N 1 0 414.977 5.026 40 0 HKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(OCc2ccccc2)c1 ZINC000224675980 568591994 /nfs/dbraw/zinc/59/19/94/568591994.db2.gz NFQLOJNNXMVYQX-UHFFFAOYSA-N 1 0 414.549 5.182 40 0 HKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1OCc1ccccc1 ZINC000224676185 568592008 /nfs/dbraw/zinc/59/20/08/568592008.db2.gz NDCPOKOKBZTZKV-UHFFFAOYSA-N 1 0 414.549 5.182 40 0 HKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1CCc1ccccc1 ZINC000224676384 568591932 /nfs/dbraw/zinc/59/19/32/568591932.db2.gz GMBFANIISUABCJ-UHFFFAOYSA-N 1 0 412.577 5.388 40 0 HKABRO O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224677891 568591953 /nfs/dbraw/zinc/59/19/53/568591953.db2.gz LHEPWCOEVHMJCZ-UHFFFAOYSA-N 1 0 412.577 5.511 40 0 HKABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683098 568592093 /nfs/dbraw/zinc/59/20/93/568592093.db2.gz MIJNBAALMOYMFL-RUZDIDTESA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683143 568592125 /nfs/dbraw/zinc/59/21/25/568592125.db2.gz MIJNBAALMOYMFL-VWLOTQADSA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683205 568592157 /nfs/dbraw/zinc/59/21/57/568592157.db2.gz PVTNGJQHKBOQSV-AREMUKBSSA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683244 568592142 /nfs/dbraw/zinc/59/21/42/568592142.db2.gz PVTNGJQHKBOQSV-SANMLTNESA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683649 568592080 /nfs/dbraw/zinc/59/20/80/568592080.db2.gz LXVPGJQXVDEZHS-JOCHJYFZSA-N 1 0 417.018 5.513 40 0 HKABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683693 568592101 /nfs/dbraw/zinc/59/21/01/568592101.db2.gz LXVPGJQXVDEZHS-QFIPXVFZSA-N 1 0 417.018 5.513 40 0 HKABRO O=C(CCCSc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224695731 568592456 /nfs/dbraw/zinc/59/24/56/568592456.db2.gz QFYULUIWBHZSNM-UHFFFAOYSA-N 1 0 417.018 5.515 40 0 HKABRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224697110 568592590 /nfs/dbraw/zinc/59/25/90/568592590.db2.gz MHYJOTOIMSIOQS-RUZDIDTESA-N 1 0 422.613 5.444 40 0 HKABRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224697155 568592578 /nfs/dbraw/zinc/59/25/78/568592578.db2.gz MHYJOTOIMSIOQS-VWLOTQADSA-N 1 0 422.613 5.444 40 0 HKABRO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224697461 568592654 /nfs/dbraw/zinc/59/26/54/568592654.db2.gz ZKPKBLMVDUWHJM-HSZRJFAPSA-N 1 0 414.977 5.108 40 0 HKABRO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224697510 568592572 /nfs/dbraw/zinc/59/25/72/568592572.db2.gz ZKPKBLMVDUWHJM-QHCPKHFHSA-N 1 0 414.977 5.108 40 0 HKABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224698821 568592787 /nfs/dbraw/zinc/59/27/87/568592787.db2.gz CTDSEKHDURAVMS-NRFANRHFSA-N 1 0 408.586 5.188 40 0 HKABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224698867 568592752 /nfs/dbraw/zinc/59/27/52/568592752.db2.gz CTDSEKHDURAVMS-OAQYLSRUSA-N 1 0 408.586 5.188 40 0 HKABRO O=C(CSCc1ccc(Cl)cc1F)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224700429 568592834 /nfs/dbraw/zinc/59/28/34/568592834.db2.gz CMAKUWDSYKLBQZ-UHFFFAOYSA-N 1 0 420.981 5.015 40 0 HKABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224703017 568592984 /nfs/dbraw/zinc/59/29/84/568592984.db2.gz CCKCHAGTOFJLGJ-UHFFFAOYSA-N 1 0 405.369 5.228 40 0 HKABRO O=C(CCc1c(Cl)cccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224703082 568592933 /nfs/dbraw/zinc/59/29/33/568592933.db2.gz ZNOXDNOHAQSFHZ-UHFFFAOYSA-N 1 0 405.369 5.228 40 0 HKABRO O=C(CCc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224703157 568592941 /nfs/dbraw/zinc/59/29/41/568592941.db2.gz ZRXOSPOVPBUNHC-UHFFFAOYSA-N 1 0 405.369 5.228 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c2ccccc2O1 ZINC000224710346 568593188 /nfs/dbraw/zinc/59/31/88/568593188.db2.gz FQMXDCMRVJRVSW-XMMPIXPASA-N 1 0 420.597 5.731 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c2ccccc2O1 ZINC000224710397 568593305 /nfs/dbraw/zinc/59/33/05/568593305.db2.gz FQMXDCMRVJRVSW-DEOSSOPVSA-N 1 0 420.597 5.731 40 0 HKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000224757754 568595544 /nfs/dbraw/zinc/59/55/44/568595544.db2.gz QSFRAYGEYIMAHK-UHFFFAOYSA-N 1 0 416.590 5.505 40 0 HKABRO O=C(CSCc1c(Cl)cccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000224758806 568595575 /nfs/dbraw/zinc/59/55/75/568595575.db2.gz UTRAEGALCSSJJE-UHFFFAOYSA-N 1 0 423.409 5.139 40 0 HKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1SCc1ccccc1 ZINC000224777693 568596389 /nfs/dbraw/zinc/59/63/89/568596389.db2.gz NNYHFQAQFIKBJY-UHFFFAOYSA-N 1 0 416.590 5.505 40 0 HKABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788541 568596801 /nfs/dbraw/zinc/59/68/01/568596801.db2.gz URGRMITYIDFORK-OAQYLSRUSA-N 1 0 402.991 5.123 40 0 HKABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788590 568596819 /nfs/dbraw/zinc/59/68/19/568596819.db2.gz URGRMITYIDFORK-NRFANRHFSA-N 1 0 402.991 5.123 40 0 HKABRO O=C(CCCSc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800031 568597127 /nfs/dbraw/zinc/59/71/27/568597127.db2.gz KFMPURXXPLEZPL-UHFFFAOYSA-N 1 0 402.991 5.125 40 0 HKABRO O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800166 568597433 /nfs/dbraw/zinc/59/74/33/568597433.db2.gz WTVMYRKWLWUEJQ-UHFFFAOYSA-N 1 0 423.409 5.139 40 0 HKABRO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800242 568597394 /nfs/dbraw/zinc/59/73/94/568597394.db2.gz UBRBUKBXSCTULZ-UHFFFAOYSA-N 1 0 423.409 5.139 40 0 HKABRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800551 568597423 /nfs/dbraw/zinc/59/74/23/568597423.db2.gz MUBDUHLXHYALMX-XMMPIXPASA-N 1 0 408.586 5.054 40 0 HKABRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800595 568597440 /nfs/dbraw/zinc/59/74/40/568597440.db2.gz MUBDUHLXHYALMX-DEOSSOPVSA-N 1 0 408.586 5.054 40 0 HKABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224806040 568597533 /nfs/dbraw/zinc/59/75/33/568597533.db2.gz LRBOHFHJFVFKDG-PKNBQFBNSA-N 1 0 403.353 5.309 40 0 HKABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224806263 568597623 /nfs/dbraw/zinc/59/76/23/568597623.db2.gz WFRFFRCYGIFGFK-QGZVFWFLSA-N 1 0 402.991 5.123 40 0 HKABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224806303 568597576 /nfs/dbraw/zinc/59/75/76/568597576.db2.gz WFRFFRCYGIFGFK-KRWDZBQOSA-N 1 0 402.991 5.123 40 0 HKABRO O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224807041 568597826 /nfs/dbraw/zinc/59/78/26/568597826.db2.gz NQBHQCBPWMCCHI-UHFFFAOYSA-N 1 0 402.991 5.125 40 0 HKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000224807426 568597880 /nfs/dbraw/zinc/59/78/80/568597880.db2.gz AZMLITQIYQHGEO-XIEYBQDHSA-N 1 0 400.522 5.123 40 0 HKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000224807783 568597761 /nfs/dbraw/zinc/59/77/61/568597761.db2.gz UUEGWHNJUFFINY-NHFJDJAPSA-N 1 0 410.561 5.530 40 0 HKABRO O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224808043 568597844 /nfs/dbraw/zinc/59/78/44/568597844.db2.gz MQQFSVNNMIVSDV-UHFFFAOYSA-N 1 0 420.981 5.015 40 0 HKABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224827598 568598802 /nfs/dbraw/zinc/59/88/02/568598802.db2.gz WDGMVMSJVHMUPD-HXUWFJFHSA-N 1 0 408.586 5.054 40 0 HKABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224827642 568598953 /nfs/dbraw/zinc/59/89/53/568598953.db2.gz WDGMVMSJVHMUPD-FQEVSTJZSA-N 1 0 408.586 5.054 40 0 HKABRO Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc(C)c1Cl ZINC000224827718 568598906 /nfs/dbraw/zinc/59/89/06/568598906.db2.gz JQKYKMFRTAAWJS-IBGZPJMESA-N 1 0 414.977 5.026 40 0 HKABRO Cc1cc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc(C)c1Cl ZINC000224827768 568598873 /nfs/dbraw/zinc/59/88/73/568598873.db2.gz JQKYKMFRTAAWJS-LJQANCHMSA-N 1 0 414.977 5.026 40 0 HKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(OCc2ccccc2)c1 ZINC000224831619 568599117 /nfs/dbraw/zinc/59/91/17/568599117.db2.gz NCILQOURXCVDRB-UHFFFAOYSA-N 1 0 414.549 5.182 40 0 HKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1OCc1ccccc1 ZINC000224831748 568599064 /nfs/dbraw/zinc/59/90/64/568599064.db2.gz IEULROJWKCIAGV-UHFFFAOYSA-N 1 0 414.549 5.182 40 0 HKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1CCc1ccccc1 ZINC000224831959 568599079 /nfs/dbraw/zinc/59/90/79/568599079.db2.gz LSVPOJPOLLOVED-UHFFFAOYSA-N 1 0 412.577 5.388 40 0 HKABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837300 568599302 /nfs/dbraw/zinc/59/93/02/568599302.db2.gz UNTCAAYUUJYGRL-RUZDIDTESA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837341 568599292 /nfs/dbraw/zinc/59/92/92/568599292.db2.gz UNTCAAYUUJYGRL-VWLOTQADSA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837410 568599276 /nfs/dbraw/zinc/59/92/76/568599276.db2.gz BOECGUMJRMVDKG-AREMUKBSSA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837455 568599273 /nfs/dbraw/zinc/59/92/73/568599273.db2.gz BOECGUMJRMVDKG-SANMLTNESA-N 1 0 416.565 5.300 40 0 HKABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837854 568599527 /nfs/dbraw/zinc/59/95/27/568599527.db2.gz NQZXVAQHURNZIA-JOCHJYFZSA-N 1 0 417.018 5.513 40 0 HKABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837907 568599531 /nfs/dbraw/zinc/59/95/31/568599531.db2.gz NQZXVAQHURNZIA-QFIPXVFZSA-N 1 0 417.018 5.513 40 0 HKABRO O=C(CCCSc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224849316 568600197 /nfs/dbraw/zinc/60/01/97/568600197.db2.gz YQHZWGRAHBLRMQ-UHFFFAOYSA-N 1 0 417.018 5.515 40 0 HKABRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224849878 568600207 /nfs/dbraw/zinc/60/02/07/568600207.db2.gz FJWBUAJYSNVIBM-RUZDIDTESA-N 1 0 422.613 5.444 40 0 HKABRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224849923 568600159 /nfs/dbraw/zinc/60/01/59/568600159.db2.gz FJWBUAJYSNVIBM-VWLOTQADSA-N 1 0 422.613 5.444 40 0 HKABRO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224850182 568600149 /nfs/dbraw/zinc/60/01/49/568600149.db2.gz DJOLVUMMFGXONW-HSZRJFAPSA-N 1 0 414.977 5.108 40 0 HKABRO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224850228 568600178 /nfs/dbraw/zinc/60/01/78/568600178.db2.gz DJOLVUMMFGXONW-QHCPKHFHSA-N 1 0 414.977 5.108 40 0 HKABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224850788 568600223 /nfs/dbraw/zinc/60/02/23/568600223.db2.gz NUPWBXFACJETHM-NRFANRHFSA-N 1 0 408.586 5.188 40 0 HKABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224850829 568600358 /nfs/dbraw/zinc/60/03/58/568600358.db2.gz NUPWBXFACJETHM-OAQYLSRUSA-N 1 0 408.586 5.188 40 0 HKABRO O=C(CSCc1ccc(Cl)cc1F)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224851846 568600424 /nfs/dbraw/zinc/60/04/24/568600424.db2.gz XSMXQYWJYOZKOD-UHFFFAOYSA-N 1 0 420.981 5.015 40 0 HKABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224853569 568600367 /nfs/dbraw/zinc/60/03/67/568600367.db2.gz UCTRVRFCJGIJNN-UHFFFAOYSA-N 1 0 405.369 5.228 40 0 HKABRO O=C(CCc1c(Cl)cccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224853636 568600447 /nfs/dbraw/zinc/60/04/47/568600447.db2.gz ODVFZNNXQYKJST-UHFFFAOYSA-N 1 0 405.369 5.228 40 0 HKABRO O=C(CCc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224853693 568600398 /nfs/dbraw/zinc/60/03/98/568600398.db2.gz TUOXNZICVNJTGS-UHFFFAOYSA-N 1 0 405.369 5.228 40 0 HKABRO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224884544 568602151 /nfs/dbraw/zinc/60/21/51/568602151.db2.gz VJIINYRSICUFRE-UHFFFAOYSA-N 1 0 412.839 5.089 40 0 HKABRO O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000224898333 568602946 /nfs/dbraw/zinc/60/29/46/568602946.db2.gz UOTRDNHZFQBGDR-UHFFFAOYSA-N 1 0 411.549 5.097 40 0 HKABRO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224968748 568606591 /nfs/dbraw/zinc/60/65/91/568606591.db2.gz GCNAMAUYXGALNA-UHFFFAOYSA-N 1 0 411.977 5.181 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c2ccccc2O1 ZINC000224981253 568607259 /nfs/dbraw/zinc/60/72/59/568607259.db2.gz OSQWEGYHQRAHQD-XMMPIXPASA-N 1 0 420.597 5.875 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c2ccccc2O1 ZINC000224981295 568607280 /nfs/dbraw/zinc/60/72/80/568607280.db2.gz OSQWEGYHQRAHQD-DEOSSOPVSA-N 1 0 420.597 5.875 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c2ccccc2O1 ZINC000224990176 568607663 /nfs/dbraw/zinc/60/76/63/568607663.db2.gz IHPUXPYBGSUASL-HYBUGGRVSA-N 1 0 420.597 5.731 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c2ccccc2O1 ZINC000224990214 568607656 /nfs/dbraw/zinc/60/76/56/568607656.db2.gz IHPUXPYBGSUASL-YKSBVNFPSA-N 1 0 420.597 5.731 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2O1 ZINC000225145336 568617693 /nfs/dbraw/zinc/61/76/93/568617693.db2.gz BUXVLOURLHHNNC-HSZRJFAPSA-N 1 0 406.570 5.485 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2O1 ZINC000225145374 568617612 /nfs/dbraw/zinc/61/76/12/568617612.db2.gz BUXVLOURLHHNNC-QHCPKHFHSA-N 1 0 406.570 5.485 40 0 HKABRO CC(C)n1c2ccc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)cc2sc1=O ZINC000225160361 568619098 /nfs/dbraw/zinc/61/90/98/568619098.db2.gz SRZNYRCZJZFOMK-UHFFFAOYSA-N 1 0 423.582 5.128 40 0 HKABRO CC(C)n1c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2sc1=O ZINC000225160413 568619115 /nfs/dbraw/zinc/61/91/15/568619115.db2.gz SWDPZUODZXAHQL-QGZVFWFLSA-N 1 0 423.582 5.128 40 0 HKABRO CC(C)n1c2ccc(NC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)cc2sc1=O ZINC000225168892 568619924 /nfs/dbraw/zinc/61/99/24/568619924.db2.gz UGBBYBFCGGSQFA-UHFFFAOYSA-N 1 0 423.582 5.272 40 0 HKABRO CCc1nc2ccc(NC(=S)NCCNc3cc(C)[nH+]c4ccccc34)cc2s1 ZINC000225229350 568624680 /nfs/dbraw/zinc/62/46/80/568624680.db2.gz GORZUAICJHMSEU-UHFFFAOYSA-N 1 0 421.595 5.114 40 0 HKABRO S=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225229825 568624779 /nfs/dbraw/zinc/62/47/79/568624779.db2.gz ZNTQZITZVWVFCG-UHFFFAOYSA-N 1 0 400.400 5.006 40 0 HKABRO S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225230312 568624820 /nfs/dbraw/zinc/62/48/20/568624820.db2.gz BRQFFQNOOSVMAU-UHFFFAOYSA-N 1 0 423.607 5.491 40 0 HKABRO S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225230363 568624886 /nfs/dbraw/zinc/62/48/86/568624886.db2.gz ASSQLQFMPIRRRG-UHFFFAOYSA-N 1 0 422.623 5.443 40 0 HKABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000225330810 568629828 /nfs/dbraw/zinc/62/98/28/568629828.db2.gz LKRLKZUTVXYBTG-IFMALSPDSA-N 1 0 414.977 5.137 40 0 HKABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000225330845 568629861 /nfs/dbraw/zinc/62/98/61/568629861.db2.gz LKRLKZUTVXYBTG-IRLDBZIGSA-N 1 0 414.977 5.137 40 0 HKABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000225338448 568630212 /nfs/dbraw/zinc/63/02/12/568630212.db2.gz MWURLBVWDYAOHW-UHFFFAOYSA-N 1 0 407.341 5.038 40 0 HKABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 ZINC000225362361 568631623 /nfs/dbraw/zinc/63/16/23/568631623.db2.gz QEILKANKQPYRBF-UHFFFAOYSA-N 1 0 407.341 5.038 40 0 HKABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000225379273 568632763 /nfs/dbraw/zinc/63/27/63/568632763.db2.gz QBHPKPYPGDTTLU-UHFFFAOYSA-N 1 0 407.341 5.038 40 0 HKABRO S=C(NCCC[NH+]1CCCCCC1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225399701 568634243 /nfs/dbraw/zinc/63/42/43/568634243.db2.gz TWEZLNCMISFESX-UHFFFAOYSA-N 1 0 413.656 5.531 40 0 HKABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)CC1 ZINC000225436096 568637885 /nfs/dbraw/zinc/63/78/85/568637885.db2.gz PTLFABGZQHGUKE-UHFFFAOYSA-N 1 0 413.656 5.387 40 0 HKABRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000225503530 568644224 /nfs/dbraw/zinc/64/42/24/568644224.db2.gz YKTVBBJXBHOMFL-UHFFFAOYSA-N 1 0 406.570 5.248 40 0 HKABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225503584 568644165 /nfs/dbraw/zinc/64/41/65/568644165.db2.gz CIJHGXXGYUNNPS-OAQYLSRUSA-N 1 0 406.570 5.248 40 0 HKABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225503619 568644173 /nfs/dbraw/zinc/64/41/73/568644173.db2.gz CIJHGXXGYUNNPS-NRFANRHFSA-N 1 0 406.570 5.248 40 0 HKABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225503667 568644133 /nfs/dbraw/zinc/64/41/33/568644133.db2.gz RXSAEZNAQPUWOU-OAQYLSRUSA-N 1 0 406.570 5.390 40 0 HKABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225503702 568644216 /nfs/dbraw/zinc/64/42/16/568644216.db2.gz RXSAEZNAQPUWOU-NRFANRHFSA-N 1 0 406.570 5.390 40 0 HKABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225503758 568644179 /nfs/dbraw/zinc/64/41/79/568644179.db2.gz XXGWLARKQLWWQF-FGZHOGPDSA-N 1 0 420.597 5.494 40 0 HKABRO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225503801 568644185 /nfs/dbraw/zinc/64/41/85/568644185.db2.gz XXGWLARKQLWWQF-SZPZYZBQSA-N 1 0 420.597 5.494 40 0 HKABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225503836 568644137 /nfs/dbraw/zinc/64/41/37/568644137.db2.gz XXGWLARKQLWWQF-VXKWHMMOSA-N 1 0 420.597 5.494 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225503874 568644128 /nfs/dbraw/zinc/64/41/28/568644128.db2.gz ZERVUFDSTZOSCG-UHFFFAOYSA-N 1 0 406.570 5.392 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225504088 568644236 /nfs/dbraw/zinc/64/42/36/568644236.db2.gz DZIAWDWAEGBIJS-UHFFFAOYSA-N 1 0 406.570 5.392 40 0 HKABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000225504183 568644229 /nfs/dbraw/zinc/64/42/29/568644229.db2.gz PKLGJKPEZQZPNZ-UHFFFAOYSA-N 1 0 420.597 5.638 40 0 HKABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225504227 568644198 /nfs/dbraw/zinc/64/41/98/568644198.db2.gz WAVJOENNRNRVGC-JOCHJYFZSA-N 1 0 420.597 5.638 40 0 HKABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225504268 568644158 /nfs/dbraw/zinc/64/41/58/568644158.db2.gz WAVJOENNRNRVGC-QFIPXVFZSA-N 1 0 420.597 5.638 40 0 HKABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225504320 568644206 /nfs/dbraw/zinc/64/42/06/568644206.db2.gz DJCNXHUTQDZCDN-JOCHJYFZSA-N 1 0 420.597 5.780 40 0 HKABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225504362 568644145 /nfs/dbraw/zinc/64/41/45/568644145.db2.gz DJCNXHUTQDZCDN-QFIPXVFZSA-N 1 0 420.597 5.780 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225504392 568644162 /nfs/dbraw/zinc/64/41/62/568644162.db2.gz CFJGOJZVRIPPBF-UHFFFAOYSA-N 1 0 420.597 5.782 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c2ccccc2O1 ZINC000225505193 568644428 /nfs/dbraw/zinc/64/44/28/568644428.db2.gz QDYOFQDVVTXAIC-XMMPIXPASA-N 1 0 420.597 5.406 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c2ccccc2O1 ZINC000225505241 568644437 /nfs/dbraw/zinc/64/44/37/568644437.db2.gz QDYOFQDVVTXAIC-DEOSSOPVSA-N 1 0 420.597 5.406 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CCCC2)c1 ZINC000225509602 568644837 /nfs/dbraw/zinc/64/48/37/568644837.db2.gz LOCDRZBSJUZWOO-UHFFFAOYSA-N 1 0 406.570 5.310 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCC(C)CC4)cc3)CCCC2)c1 ZINC000225509703 568644911 /nfs/dbraw/zinc/64/49/11/568644911.db2.gz MQBYCYWDEQWLFV-UHFFFAOYSA-N 1 0 420.597 5.556 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@@H](C)C4)cc3)CCCC2)c1 ZINC000225509749 568644914 /nfs/dbraw/zinc/64/49/14/568644914.db2.gz DULQQBKQBLOWDY-JOCHJYFZSA-N 1 0 420.597 5.556 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@@H]4C)cc3)CCCC2)c1 ZINC000225509807 568644869 /nfs/dbraw/zinc/64/48/69/568644869.db2.gz RICRTEYNGYTFLJ-QFIPXVFZSA-N 1 0 420.597 5.699 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCCC4)cc3)CCCC2)c1 ZINC000225509970 568644918 /nfs/dbraw/zinc/64/49/18/568644918.db2.gz GJIOVKBRSRUPOJ-UHFFFAOYSA-N 1 0 420.597 5.700 40 0 HKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 ZINC000225510069 568644901 /nfs/dbraw/zinc/64/49/01/568644901.db2.gz OUSHJLSAYKGQRL-UHFFFAOYSA-N 1 0 408.586 5.556 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCC4)cc3)CCCC2)c1 ZINC000225510117 568644917 /nfs/dbraw/zinc/64/49/17/568644917.db2.gz QMOGWKKCRFSMRQ-UHFFFAOYSA-N 1 0 406.570 5.310 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCCC4)cc3)CCCC2)c1 ZINC000225510162 568644875 /nfs/dbraw/zinc/64/48/75/568644875.db2.gz VQVKQEQLYQWRJL-UHFFFAOYSA-N 1 0 420.597 5.700 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CCCC2)cc1 ZINC000225512650 568645178 /nfs/dbraw/zinc/64/51/78/568645178.db2.gz GFTGNELTQKCMPA-UHFFFAOYSA-N 1 0 406.570 5.310 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCC(C)CC4)cc3)CCCC2)cc1 ZINC000225512754 568645326 /nfs/dbraw/zinc/64/53/26/568645326.db2.gz STUYZWUJQVWKMR-UHFFFAOYSA-N 1 0 420.597 5.556 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@@H](C)C4)cc3)CCCC2)cc1 ZINC000225512800 568645184 /nfs/dbraw/zinc/64/51/84/568645184.db2.gz FCOSGRDJCUTVMJ-JOCHJYFZSA-N 1 0 420.597 5.556 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@@H]4C)cc3)CCCC2)cc1 ZINC000225512863 568645203 /nfs/dbraw/zinc/64/52/03/568645203.db2.gz YAKHYHIUPBYSOY-QFIPXVFZSA-N 1 0 420.597 5.699 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCCC4)cc3)CCCC2)cc1 ZINC000225513026 568645421 /nfs/dbraw/zinc/64/54/21/568645421.db2.gz BUGOGYGMCGNXJA-UHFFFAOYSA-N 1 0 420.597 5.700 40 0 HKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000225513115 568645594 /nfs/dbraw/zinc/64/55/94/568645594.db2.gz QTUUGARKSYVROS-UHFFFAOYSA-N 1 0 408.586 5.556 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCC4)cc3)CCCC2)cc1 ZINC000225513165 568645550 /nfs/dbraw/zinc/64/55/50/568645550.db2.gz ZACQKOWCOGTFQZ-UHFFFAOYSA-N 1 0 406.570 5.310 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCCC4)cc3)CCCC2)cc1 ZINC000225513203 568645446 /nfs/dbraw/zinc/64/54/46/568645446.db2.gz YMIDTRKZICWPCX-UHFFFAOYSA-N 1 0 420.597 5.700 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccccc2F)CCCC1 ZINC000225515688 568645760 /nfs/dbraw/zinc/64/57/60/568645760.db2.gz PVPWKOBDGPSERH-UHFFFAOYSA-N 1 0 410.533 5.141 40 0 HKABRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)CC1 ZINC000225515791 568645812 /nfs/dbraw/zinc/64/58/12/568645812.db2.gz HTHVZSUOTHUFEO-UHFFFAOYSA-N 1 0 424.560 5.387 40 0 HKABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225515839 568645714 /nfs/dbraw/zinc/64/57/14/568645714.db2.gz NKQXENRTFRVPCN-HXUWFJFHSA-N 1 0 424.560 5.387 40 0 HKABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225515877 568645843 /nfs/dbraw/zinc/64/58/43/568645843.db2.gz NKQXENRTFRVPCN-FQEVSTJZSA-N 1 0 424.560 5.387 40 0 HKABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225515925 568645661 /nfs/dbraw/zinc/64/56/61/568645661.db2.gz HSQMGXIZYDELDN-HXUWFJFHSA-N 1 0 424.560 5.529 40 0 HKABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225515965 568645727 /nfs/dbraw/zinc/64/57/27/568645727.db2.gz HSQMGXIZYDELDN-FQEVSTJZSA-N 1 0 424.560 5.529 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1(c2ccccc2F)CCCC1 ZINC000225516114 568645748 /nfs/dbraw/zinc/64/57/48/568645748.db2.gz BQSFTYIFLDKMGN-UHFFFAOYSA-N 1 0 424.560 5.531 40 0 HKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225516219 568645836 /nfs/dbraw/zinc/64/58/36/568645836.db2.gz FUWOPEQELHIHBO-UHFFFAOYSA-N 1 0 412.549 5.387 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccccc2F)CCCC1 ZINC000225516271 568645789 /nfs/dbraw/zinc/64/57/89/568645789.db2.gz CILSZXGCAOSVOG-UHFFFAOYSA-N 1 0 410.533 5.141 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1(c2ccccc2F)CCCC1 ZINC000225516316 568645658 /nfs/dbraw/zinc/64/56/58/568645658.db2.gz ZTJYHZHQOGNHDD-UHFFFAOYSA-N 1 0 424.560 5.531 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000225519984 568646184 /nfs/dbraw/zinc/64/61/84/568646184.db2.gz GMNNEVZEMHSPQH-UHFFFAOYSA-N 1 0 410.533 5.141 40 0 HKABRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1 ZINC000225520084 568646151 /nfs/dbraw/zinc/64/61/51/568646151.db2.gz PJFZVRDTVNWUNX-UHFFFAOYSA-N 1 0 424.560 5.387 40 0 HKABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520135 568646198 /nfs/dbraw/zinc/64/61/98/568646198.db2.gz NQGHIDFROLVGET-HXUWFJFHSA-N 1 0 424.560 5.387 40 0 HKABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520175 568646111 /nfs/dbraw/zinc/64/61/11/568646111.db2.gz NQGHIDFROLVGET-FQEVSTJZSA-N 1 0 424.560 5.387 40 0 HKABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520223 568646363 /nfs/dbraw/zinc/64/63/63/568646363.db2.gz YSWZGBCBLCZHGB-HXUWFJFHSA-N 1 0 424.560 5.529 40 0 HKABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520265 568646461 /nfs/dbraw/zinc/64/64/61/568646461.db2.gz YSWZGBCBLCZHGB-FQEVSTJZSA-N 1 0 424.560 5.529 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000225520448 568646365 /nfs/dbraw/zinc/64/63/65/568646365.db2.gz LWMLDXVIKIDILD-UHFFFAOYSA-N 1 0 424.560 5.531 40 0 HKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520534 568646425 /nfs/dbraw/zinc/64/64/25/568646425.db2.gz GKTPHMURACVWPA-UHFFFAOYSA-N 1 0 412.549 5.387 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000225520581 568646361 /nfs/dbraw/zinc/64/63/61/568646361.db2.gz QSUUMNDHLWXXFY-UHFFFAOYSA-N 1 0 410.533 5.141 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000225520626 568646388 /nfs/dbraw/zinc/64/63/88/568646388.db2.gz PMUFNCCMUMOAHL-UHFFFAOYSA-N 1 0 424.560 5.531 40 0 HKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000225522830 568646662 /nfs/dbraw/zinc/64/66/62/568646662.db2.gz HAQIWGPULNANRB-UHFFFAOYSA-N 1 0 414.977 5.511 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225522878 568646907 /nfs/dbraw/zinc/64/69/07/568646907.db2.gz FQXJQIXUKWJIOA-UHFFFAOYSA-N 1 0 412.961 5.265 40 0 HKABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000225523376 568646836 /nfs/dbraw/zinc/64/68/36/568646836.db2.gz RDCAWFMRIOKVAJ-UHFFFAOYSA-N 1 0 400.950 5.121 40 0 HKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225525871 568647361 /nfs/dbraw/zinc/64/73/61/568647361.db2.gz NIPBXWZQUROFEL-UHFFFAOYSA-N 1 0 414.977 5.511 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccccc2Cl)CCCC1 ZINC000225525912 568647308 /nfs/dbraw/zinc/64/73/08/568647308.db2.gz YAVDRSMIEKFWHB-UHFFFAOYSA-N 1 0 412.961 5.265 40 0 HKABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225526400 568647371 /nfs/dbraw/zinc/64/73/71/568647371.db2.gz JSLWVWGGXUIJKQ-UHFFFAOYSA-N 1 0 400.950 5.121 40 0 HKABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225528755 568647462 /nfs/dbraw/zinc/64/74/62/568647462.db2.gz FXCCBPJNJXGJED-UHFFFAOYSA-N 1 0 421.368 5.384 40 0 HKABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CCCC2)cc1 ZINC000225531397 568647915 /nfs/dbraw/zinc/64/79/15/568647915.db2.gz WRTFVSACOAMIKJ-UHFFFAOYSA-N 1 0 422.569 5.010 40 0 HKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 ZINC000225531843 568647924 /nfs/dbraw/zinc/64/79/24/568647924.db2.gz JAMFAFOUNOKVMG-UHFFFAOYSA-N 1 0 424.585 5.256 40 0 HKABRO COc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCC4)cc3)CCCC2)cc1 ZINC000225531888 568647976 /nfs/dbraw/zinc/64/79/76/568647976.db2.gz OWCGCUNUCYTHGV-UHFFFAOYSA-N 1 0 422.569 5.010 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534037 568648168 /nfs/dbraw/zinc/64/81/68/568648168.db2.gz OLCBDOFGIKKXDU-UHFFFAOYSA-N 1 0 406.570 5.392 40 0 HKABRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)CC1 ZINC000225534127 568648368 /nfs/dbraw/zinc/64/83/68/568648368.db2.gz HSANONFOTDQKFW-UHFFFAOYSA-N 1 0 420.597 5.638 40 0 HKABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534172 568648269 /nfs/dbraw/zinc/64/82/69/568648269.db2.gz NCYUACLXDJQWKA-JOCHJYFZSA-N 1 0 420.597 5.638 40 0 HKABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534201 568648317 /nfs/dbraw/zinc/64/83/17/568648317.db2.gz NCYUACLXDJQWKA-QFIPXVFZSA-N 1 0 420.597 5.638 40 0 HKABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534244 568648254 /nfs/dbraw/zinc/64/82/54/568648254.db2.gz KBGJHZDKDDGRMO-JOCHJYFZSA-N 1 0 420.597 5.780 40 0 HKABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534279 568648375 /nfs/dbraw/zinc/64/83/75/568648375.db2.gz KBGJHZDKDDGRMO-QFIPXVFZSA-N 1 0 420.597 5.780 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534427 568648311 /nfs/dbraw/zinc/64/83/11/568648311.db2.gz QVLBHGIGFMBBKW-UHFFFAOYSA-N 1 0 420.597 5.782 40 0 HKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534519 568648371 /nfs/dbraw/zinc/64/83/71/568648371.db2.gz GPDNZFCRLGCGNC-UHFFFAOYSA-N 1 0 408.586 5.638 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534547 568648291 /nfs/dbraw/zinc/64/82/91/568648291.db2.gz VKAMNJAYUFUGKN-UHFFFAOYSA-N 1 0 406.570 5.392 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534577 568648340 /nfs/dbraw/zinc/64/83/40/568648340.db2.gz HDHRTWLELNQQLS-UHFFFAOYSA-N 1 0 420.597 5.782 40 0 HKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 ZINC000225539604 568648996 /nfs/dbraw/zinc/64/89/96/568648996.db2.gz AULPPOBGJHDURY-UHFFFAOYSA-N 1 0 408.586 5.556 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)CCCCC2)c1 ZINC000225539634 568648968 /nfs/dbraw/zinc/64/89/68/568648968.db2.gz DGORNLJAVCRJCP-UHFFFAOYSA-N 1 0 406.570 5.310 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CCCCC2)c1 ZINC000225539665 568649023 /nfs/dbraw/zinc/64/90/23/568649023.db2.gz BFFJYRHPACVUKO-UHFFFAOYSA-N 1 0 420.597 5.700 40 0 HKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 ZINC000225540081 568649020 /nfs/dbraw/zinc/64/90/20/568649020.db2.gz UOAMCERZAFPEMW-UHFFFAOYSA-N 1 0 422.613 5.946 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCC4)cc3)CCCCC2)c1 ZINC000225540116 568648998 /nfs/dbraw/zinc/64/89/98/568648998.db2.gz HDDBYIOUHUETAF-UHFFFAOYSA-N 1 0 420.597 5.700 40 0 HKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 ZINC000225542202 568649264 /nfs/dbraw/zinc/64/92/64/568649264.db2.gz FCTKLBUUXPMXFA-UHFFFAOYSA-N 1 0 408.586 5.556 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)CCCCC2)cc1 ZINC000225542223 568649280 /nfs/dbraw/zinc/64/92/80/568649280.db2.gz IKDYZMIODXVOHO-UHFFFAOYSA-N 1 0 406.570 5.310 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CCCCC2)cc1 ZINC000225542239 568649225 /nfs/dbraw/zinc/64/92/25/568649225.db2.gz YDFPZEXBVDHOSL-UHFFFAOYSA-N 1 0 420.597 5.700 40 0 HKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 ZINC000225542627 568649220 /nfs/dbraw/zinc/64/92/20/568649220.db2.gz QSHMEEQAPJAAFS-UHFFFAOYSA-N 1 0 422.613 5.946 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCC4)cc3)CCCCC2)cc1 ZINC000225542659 568649256 /nfs/dbraw/zinc/64/92/56/568649256.db2.gz UUJHSFZEYIOSAK-UHFFFAOYSA-N 1 0 420.597 5.700 40 0 HKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 ZINC000225544832 568649497 /nfs/dbraw/zinc/64/94/97/568649497.db2.gz HSNSXTVACBCFBR-UHFFFAOYSA-N 1 0 412.549 5.387 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccccc2F)CCCCC1 ZINC000225544868 568649517 /nfs/dbraw/zinc/64/95/17/568649517.db2.gz VMKWTTCGXWVIGG-UHFFFAOYSA-N 1 0 410.533 5.141 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccccc2F)CCCCC1 ZINC000225544894 568649536 /nfs/dbraw/zinc/64/95/36/568649536.db2.gz WBMLVHNGJXHQOU-UHFFFAOYSA-N 1 0 424.560 5.531 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccccc2F)CCCCC1 ZINC000225545436 568649701 /nfs/dbraw/zinc/64/97/01/568649701.db2.gz SBLPLMKCRUFFRS-UHFFFAOYSA-N 1 0 424.560 5.531 40 0 HKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000225547762 568649978 /nfs/dbraw/zinc/64/99/78/568649978.db2.gz YDDYDKYCCYCBBZ-UHFFFAOYSA-N 1 0 412.549 5.387 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000225547796 568649892 /nfs/dbraw/zinc/64/98/92/568649892.db2.gz MYHCGMYWNCVRBU-UHFFFAOYSA-N 1 0 410.533 5.141 40 0 HKABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000225547823 568649880 /nfs/dbraw/zinc/64/98/80/568649880.db2.gz LNGBVVMBEAEYQK-UHFFFAOYSA-N 1 0 424.560 5.531 40 0 HKABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000225548316 568649906 /nfs/dbraw/zinc/64/99/06/568649906.db2.gz QDWXJIGGAOIZCL-UHFFFAOYSA-N 1 0 424.560 5.531 40 0 HKABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225550584 568650224 /nfs/dbraw/zinc/65/02/24/568650224.db2.gz ZHNCUVBYDVGADV-UHFFFAOYSA-N 1 0 400.950 5.121 40 0 HKABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225551111 568650163 /nfs/dbraw/zinc/65/01/63/568650163.db2.gz BDNKTTJHKHXBPE-UHFFFAOYSA-N 1 0 414.977 5.511 40 0 HKABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 ZINC000225553473 568650411 /nfs/dbraw/zinc/65/04/11/568650411.db2.gz FGABPTXPYMYLTH-UHFFFAOYSA-N 1 0 400.950 5.121 40 0 HKABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 ZINC000225554025 568650554 /nfs/dbraw/zinc/65/05/54/568650554.db2.gz SNUFCIALHRVNBX-UHFFFAOYSA-N 1 0 414.977 5.511 40 0 HKABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 ZINC000225558743 568650983 /nfs/dbraw/zinc/65/09/83/568650983.db2.gz LQIQLAMRCJCUOG-UHFFFAOYSA-N 1 0 424.585 5.256 40 0 HKABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)CCCCC2)cc1 ZINC000225558765 568650966 /nfs/dbraw/zinc/65/09/66/568650966.db2.gz AUUDJZJXQUVAIL-UHFFFAOYSA-N 1 0 422.569 5.010 40 0 HKABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225581782 568654117 /nfs/dbraw/zinc/65/41/17/568654117.db2.gz RXWPFIGAEMIPQP-CQSZACIVSA-N 1 0 407.933 5.300 40 0 HKABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225581810 568654029 /nfs/dbraw/zinc/65/40/29/568654029.db2.gz RXWPFIGAEMIPQP-AWEZNQCLSA-N 1 0 407.933 5.300 40 0 HKABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225582302 568654110 /nfs/dbraw/zinc/65/41/10/568654110.db2.gz RRZNOIBJECVDHH-CQSZACIVSA-N 1 0 418.832 5.044 40 0 HKABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225582322 568653928 /nfs/dbraw/zinc/65/39/28/568653928.db2.gz RRZNOIBJECVDHH-AWEZNQCLSA-N 1 0 418.832 5.044 40 0 HKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225615297 568657259 /nfs/dbraw/zinc/65/72/59/568657259.db2.gz LPSOTWVYZLNYIX-UHFFFAOYSA-N 1 0 418.622 5.213 40 0 HKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225615343 568657217 /nfs/dbraw/zinc/65/72/17/568657217.db2.gz UEOLEYFTAPESDU-OAQYLSRUSA-N 1 0 418.622 5.213 40 0 HKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225615391 568657105 /nfs/dbraw/zinc/65/71/05/568657105.db2.gz JQOISLWDRAJYCC-NRFANRHFSA-N 1 0 418.622 5.356 40 0 HKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225615520 568657275 /nfs/dbraw/zinc/65/72/75/568657275.db2.gz WMPWOKSDEHALDM-UHFFFAOYSA-N 1 0 418.622 5.357 40 0 HKABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 ZINC000225615609 568657286 /nfs/dbraw/zinc/65/72/86/568657286.db2.gz NMSNCHMQNAEWNP-UHFFFAOYSA-N 1 0 406.611 5.213 40 0 HKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225615698 568657243 /nfs/dbraw/zinc/65/72/43/568657243.db2.gz VZXIILSYMUSDTQ-UHFFFAOYSA-N 1 0 418.622 5.357 40 0 HKABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000225623178 568658089 /nfs/dbraw/zinc/65/80/89/568658089.db2.gz JSQOHROOVKOFHC-JOCHJYFZSA-N 1 0 414.977 5.137 40 0 HKABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000225623205 568658165 /nfs/dbraw/zinc/65/81/65/568658165.db2.gz JSQOHROOVKOFHC-QFIPXVFZSA-N 1 0 414.977 5.137 40 0 HKABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225623484 568658024 /nfs/dbraw/zinc/65/80/24/568658024.db2.gz MIFXPWVRYRJKDM-XMMPIXPASA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225623519 568658015 /nfs/dbraw/zinc/65/80/15/568658015.db2.gz MIFXPWVRYRJKDM-DEOSSOPVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225623540 568658018 /nfs/dbraw/zinc/65/80/18/568658018.db2.gz FMUMRISIXVPUSY-HYBUGGRVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225623554 568658037 /nfs/dbraw/zinc/65/80/37/568658037.db2.gz FMUMRISIXVPUSY-YKSBVNFPSA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225623572 568658032 /nfs/dbraw/zinc/65/80/32/568658032.db2.gz LXMSGLSANCIWIF-GBXCKJPGSA-N 1 0 404.595 5.254 40 0 HKABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225623593 568658043 /nfs/dbraw/zinc/65/80/43/568658043.db2.gz LXMSGLSANCIWIF-RDPSFJRHSA-N 1 0 404.595 5.254 40 0 HKABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225623622 568658095 /nfs/dbraw/zinc/65/80/95/568658095.db2.gz ZAAPZTMICVYQET-XMMPIXPASA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225623651 568658052 /nfs/dbraw/zinc/65/80/52/568658052.db2.gz ZAAPZTMICVYQET-DEOSSOPVSA-N 1 0 404.595 5.255 40 0 HKABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225631716 568658795 /nfs/dbraw/zinc/65/87/95/568658795.db2.gz MAUBXGBFAZVBJD-FQEVSTJZSA-N 1 0 402.579 5.008 40 0 HKABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCCCC1 ZINC000225631758 568658724 /nfs/dbraw/zinc/65/87/24/568658724.db2.gz ZEDZCGVTSXDRJK-UHFFFAOYSA-N 1 0 402.579 5.009 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225655256 568660443 /nfs/dbraw/zinc/66/04/43/568660443.db2.gz OUSMVEHFTWLTHX-FQEVSTJZSA-N 1 0 402.579 5.008 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCC1 ZINC000225655291 568660514 /nfs/dbraw/zinc/66/05/14/568660514.db2.gz NJFLADXXSOXPDM-UHFFFAOYSA-N 1 0 402.579 5.009 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCC1 ZINC000225657159 568660795 /nfs/dbraw/zinc/66/07/95/568660795.db2.gz AVHIXTJSEXEUJC-FQEVSTJZSA-N 1 0 402.579 5.008 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCC1 ZINC000225657210 568660790 /nfs/dbraw/zinc/66/07/90/568660790.db2.gz GPKIKXAIFHIWIX-OYRHEFFESA-N 1 0 416.606 5.111 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCCCC1 ZINC000225657241 568660674 /nfs/dbraw/zinc/66/06/74/568660674.db2.gz GPKIKXAIFHIWIX-NHCUHLMSSA-N 1 0 416.606 5.111 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCCCC1 ZINC000225657269 568660647 /nfs/dbraw/zinc/66/06/47/568660647.db2.gz GPKIKXAIFHIWIX-SFTDATJTSA-N 1 0 416.606 5.111 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000225657306 568660720 /nfs/dbraw/zinc/66/07/20/568660720.db2.gz HHLWDAQLHBPXER-UHFFFAOYSA-N 1 0 402.579 5.009 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000225657434 568660702 /nfs/dbraw/zinc/66/07/02/568660702.db2.gz AONSTEFTBDXYGN-UHFFFAOYSA-N 1 0 402.579 5.009 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCCCC1 ZINC000225657521 568660759 /nfs/dbraw/zinc/66/07/59/568660759.db2.gz BQTMYZZXVCOBMZ-UHFFFAOYSA-N 1 0 416.606 5.255 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCC1 ZINC000225657553 568660884 /nfs/dbraw/zinc/66/08/84/568660884.db2.gz XJLXJMRJSUAKJQ-OAQYLSRUSA-N 1 0 416.606 5.255 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCC1 ZINC000225657601 568660891 /nfs/dbraw/zinc/66/08/91/568660891.db2.gz TZYVWCFXTXHMEU-NRFANRHFSA-N 1 0 416.606 5.398 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000225657630 568660903 /nfs/dbraw/zinc/66/09/03/568660903.db2.gz APMPIFQQWVSTHS-UHFFFAOYSA-N 1 0 416.606 5.400 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCCCC1 ZINC000225659346 568660978 /nfs/dbraw/zinc/66/09/78/568660978.db2.gz OVODJHQEHJGPJL-UHFFFAOYSA-N 1 0 402.579 5.009 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCCCCC1 ZINC000225659396 568661157 /nfs/dbraw/zinc/66/11/57/568661157.db2.gz ZVKZPJPZXXLDGW-UHFFFAOYSA-N 1 0 416.606 5.255 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225659427 568661143 /nfs/dbraw/zinc/66/11/43/568661143.db2.gz LQFSJUQKGAKSJR-OAQYLSRUSA-N 1 0 416.606 5.255 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225659461 568661127 /nfs/dbraw/zinc/66/11/27/568661127.db2.gz OSEDLCMJMAFEEX-NRFANRHFSA-N 1 0 416.606 5.398 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCCCC1 ZINC000225659584 568661179 /nfs/dbraw/zinc/66/11/79/568661179.db2.gz HGYIUVOZOJXZMO-UHFFFAOYSA-N 1 0 416.606 5.400 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCCCCC1 ZINC000225659649 568661133 /nfs/dbraw/zinc/66/11/33/568661133.db2.gz GYMPLKVLBNSAPC-UHFFFAOYSA-N 1 0 404.595 5.255 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCCCC1 ZINC000225659679 568661125 /nfs/dbraw/zinc/66/11/25/568661125.db2.gz DWEZJZXRXUJLFM-UHFFFAOYSA-N 1 0 402.579 5.009 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCCCC1 ZINC000225659712 568661181 /nfs/dbraw/zinc/66/11/81/568661181.db2.gz UXBUXQGUIGHECH-UHFFFAOYSA-N 1 0 416.606 5.400 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225662994 568661379 /nfs/dbraw/zinc/66/13/79/568661379.db2.gz CTUQLVQALNQYIH-BWKNWUBXSA-N 1 0 416.606 5.111 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225663016 568661619 /nfs/dbraw/zinc/66/16/19/568661619.db2.gz CTUQLVQALNQYIH-PXDATVDWSA-N 1 0 416.606 5.111 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225663045 568661603 /nfs/dbraw/zinc/66/16/03/568661603.db2.gz CTUQLVQALNQYIH-OFVILXPXSA-N 1 0 416.606 5.111 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225663074 568661656 /nfs/dbraw/zinc/66/16/56/568661656.db2.gz CTUQLVQALNQYIH-SQJMNOBHSA-N 1 0 416.606 5.111 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225663117 568661642 /nfs/dbraw/zinc/66/16/42/568661642.db2.gz IOWJIHRAIYEEDN-OTPAQWSUSA-N 1 0 416.606 5.111 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225663151 568661600 /nfs/dbraw/zinc/66/16/00/568661600.db2.gz IOWJIHRAIYEEDN-DNRQZRRGSA-N 1 0 416.606 5.111 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225663199 568661622 /nfs/dbraw/zinc/66/16/22/568661622.db2.gz KIZABORJMJDYAW-CZSZKKDXSA-N 1 0 416.606 5.254 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225663226 568661647 /nfs/dbraw/zinc/66/16/47/568661647.db2.gz KIZABORJMJDYAW-TYBLODHISA-N 1 0 416.606 5.254 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225663394 568661626 /nfs/dbraw/zinc/66/16/26/568661626.db2.gz XZMQUOUHDWTXES-BWKNWUBXSA-N 1 0 416.606 5.255 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225663422 568661661 /nfs/dbraw/zinc/66/16/61/568661661.db2.gz XZMQUOUHDWTXES-PXDATVDWSA-N 1 0 416.606 5.255 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225663452 568661607 /nfs/dbraw/zinc/66/16/07/568661607.db2.gz XZMQUOUHDWTXES-OFVILXPXSA-N 1 0 416.606 5.255 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225663479 520290276 /nfs/dbraw/zinc/29/02/76/520290276.db2.gz XZMQUOUHDWTXES-SQJMNOBHSA-N 1 0 416.606 5.255 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCC[C@@H](C)C1 ZINC000225663648 520277039 /nfs/dbraw/zinc/27/70/39/520277039.db2.gz DCMNOCLNCQNAIT-YKSBVNFPSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCC[C@@H](C)C1 ZINC000225663671 520289067 /nfs/dbraw/zinc/28/90/67/520289067.db2.gz DCMNOCLNCQNAIT-HYBUGGRVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCC[C@H](C)C1 ZINC000225663697 568661611 /nfs/dbraw/zinc/66/16/11/568661611.db2.gz DCMNOCLNCQNAIT-RDPSFJRHSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCC[C@H](C)C1 ZINC000225663722 568661653 /nfs/dbraw/zinc/66/16/53/568661653.db2.gz DCMNOCLNCQNAIT-GBXCKJPGSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225663896 568661615 /nfs/dbraw/zinc/66/16/15/568661615.db2.gz VACMZFWGDKPIKW-BWKNWUBXSA-N 1 0 416.606 5.255 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225663926 568661631 /nfs/dbraw/zinc/66/16/31/568661631.db2.gz VACMZFWGDKPIKW-PXDATVDWSA-N 1 0 416.606 5.255 40 0 HKABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225663950 568661637 /nfs/dbraw/zinc/66/16/37/568661637.db2.gz VACMZFWGDKPIKW-OFVILXPXSA-N 1 0 416.606 5.255 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225663977 568661646 /nfs/dbraw/zinc/66/16/46/568661646.db2.gz VACMZFWGDKPIKW-SQJMNOBHSA-N 1 0 416.606 5.255 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC(C)CC1 ZINC000225668628 568662235 /nfs/dbraw/zinc/66/22/35/568662235.db2.gz CTFAUPBERXCXOZ-UHFFFAOYSA-N 1 0 416.606 5.111 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225668673 568662214 /nfs/dbraw/zinc/66/22/14/568662214.db2.gz ZXVQFDSPLULYNX-YOOZRZFBSA-N 1 0 416.606 5.111 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225668722 568662311 /nfs/dbraw/zinc/66/23/11/568662311.db2.gz KKFNYMWOAOVDKT-JQJXBVGUSA-N 1 0 416.606 5.254 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC(C)CC1 ZINC000225668890 568662291 /nfs/dbraw/zinc/66/22/91/568662291.db2.gz JCXAVRULRCZROO-UHFFFAOYSA-N 1 0 416.606 5.255 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCC(C)CC1 ZINC000225668972 568662222 /nfs/dbraw/zinc/66/22/22/568662222.db2.gz ZVQKFNBBWXPXNF-UHFFFAOYSA-N 1 0 404.595 5.111 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC(C)CC1 ZINC000225669050 568662302 /nfs/dbraw/zinc/66/23/02/568662302.db2.gz NLNBFLSKOJLVNJ-UHFFFAOYSA-N 1 0 416.606 5.255 40 0 HKABRO CCc1ccc(CC)c(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000225678090 568663339 /nfs/dbraw/zinc/66/33/39/568663339.db2.gz AGAFBMCLKJRRKX-UHFFFAOYSA-N 1 0 412.577 5.300 40 0 HKABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225689502 568664680 /nfs/dbraw/zinc/66/46/80/568664680.db2.gz AZYIGLLFSDGIJG-RDPSFJRHSA-N 1 0 404.595 5.110 40 0 HKABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225689521 568664644 /nfs/dbraw/zinc/66/46/44/568664644.db2.gz AZYIGLLFSDGIJG-GBXCKJPGSA-N 1 0 404.595 5.110 40 0 HKABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225689548 568664577 /nfs/dbraw/zinc/66/45/77/568664577.db2.gz JLMBQBYIZMTGKO-DEOSSOPVSA-N 1 0 404.595 5.111 40 0 HKABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225689573 568664679 /nfs/dbraw/zinc/66/46/79/568664679.db2.gz JLMBQBYIZMTGKO-XMMPIXPASA-N 1 0 404.595 5.111 40 0 HKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225695941 568665219 /nfs/dbraw/zinc/66/52/19/568665219.db2.gz IHIKEDNLCNQEBP-UHFFFAOYSA-N 1 0 406.611 5.213 40 0 HKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225696011 568665318 /nfs/dbraw/zinc/66/53/18/568665318.db2.gz NHONHQRSHOLUBL-UHFFFAOYSA-N 1 0 418.622 5.357 40 0 HKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225696371 568665349 /nfs/dbraw/zinc/66/53/49/568665349.db2.gz KKDPENBXTHINPJ-UHFFFAOYSA-N 1 0 420.638 5.603 40 0 HKABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225696403 521628769 /nfs/dbraw/zinc/62/87/69/521628769.db2.gz NVALBUCMGTZEFF-UHFFFAOYSA-N 1 0 418.622 5.357 40 0 HKABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225699762 568665692 /nfs/dbraw/zinc/66/56/92/568665692.db2.gz DAZZGIQXOSAANL-XMMPIXPASA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225699790 568665736 /nfs/dbraw/zinc/66/57/36/568665736.db2.gz DAZZGIQXOSAANL-DEOSSOPVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225699828 521119814 /nfs/dbraw/zinc/11/98/14/521119814.db2.gz PMABKURIJQUDRM-HYBUGGRVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225699856 568665745 /nfs/dbraw/zinc/66/57/45/568665745.db2.gz PMABKURIJQUDRM-YKSBVNFPSA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225699897 568665724 /nfs/dbraw/zinc/66/57/24/568665724.db2.gz BKFREOASLTYGHN-GBXCKJPGSA-N 1 0 404.595 5.254 40 0 HKABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225699925 568665814 /nfs/dbraw/zinc/66/58/14/568665814.db2.gz BKFREOASLTYGHN-RDPSFJRHSA-N 1 0 404.595 5.254 40 0 HKABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225699952 568665679 /nfs/dbraw/zinc/66/56/79/568665679.db2.gz XSEINKZZCBANDR-XMMPIXPASA-N 1 0 404.595 5.255 40 0 HKABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225699979 568665819 /nfs/dbraw/zinc/66/58/19/568665819.db2.gz XSEINKZZCBANDR-DEOSSOPVSA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225703116 568665929 /nfs/dbraw/zinc/66/59/29/568665929.db2.gz RXKSOCLGYCTIAO-XMMPIXPASA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225703144 568666084 /nfs/dbraw/zinc/66/60/84/568666084.db2.gz RXKSOCLGYCTIAO-DEOSSOPVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225703185 568666106 /nfs/dbraw/zinc/66/61/06/568666106.db2.gz VPWMWOZJYURSRM-HYBUGGRVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225703208 568666098 /nfs/dbraw/zinc/66/60/98/568666098.db2.gz VPWMWOZJYURSRM-YKSBVNFPSA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225703248 568666025 /nfs/dbraw/zinc/66/60/25/568666025.db2.gz PTUWNONDOSOZEY-GBXCKJPGSA-N 1 0 404.595 5.254 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225703281 568666011 /nfs/dbraw/zinc/66/60/11/568666011.db2.gz PTUWNONDOSOZEY-RDPSFJRHSA-N 1 0 404.595 5.254 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225703326 568665968 /nfs/dbraw/zinc/66/59/68/568665968.db2.gz QYVDIFAKPIWDKW-TYBLODHISA-N 1 0 418.622 5.357 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225703353 520316833 /nfs/dbraw/zinc/31/68/33/520316833.db2.gz QYVDIFAKPIWDKW-BKSPAHHJSA-N 1 0 418.622 5.357 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225703379 568666041 /nfs/dbraw/zinc/66/60/41/568666041.db2.gz QYVDIFAKPIWDKW-DNRQZRRGSA-N 1 0 418.622 5.357 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225703409 568666089 /nfs/dbraw/zinc/66/60/89/568666089.db2.gz QYVDIFAKPIWDKW-OTPAQWSUSA-N 1 0 418.622 5.357 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225703441 520297479 /nfs/dbraw/zinc/29/74/79/520297479.db2.gz DQUKBRSWNMMQOT-XMMPIXPASA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225703471 568665934 /nfs/dbraw/zinc/66/59/34/568665934.db2.gz DQUKBRSWNMMQOT-DEOSSOPVSA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225703700 520296203 /nfs/dbraw/zinc/29/62/03/520296203.db2.gz SDPFIPAOMJTCKZ-XMMPIXPASA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225703727 520316671 /nfs/dbraw/zinc/31/66/71/520316671.db2.gz SDPFIPAOMJTCKZ-DEOSSOPVSA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225703831 568666079 /nfs/dbraw/zinc/66/60/79/568666079.db2.gz NPGPROKHZSHRDF-RUZDIDTESA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225703857 520316977 /nfs/dbraw/zinc/31/69/77/520316977.db2.gz NPGPROKHZSHRDF-VWLOTQADSA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225703898 568665996 /nfs/dbraw/zinc/66/59/96/568665996.db2.gz YJSYRUXMQKOADK-PXDATVDWSA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225703929 568665911 /nfs/dbraw/zinc/66/59/11/568665911.db2.gz YJSYRUXMQKOADK-BWKNWUBXSA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225703967 568666061 /nfs/dbraw/zinc/66/60/61/568666061.db2.gz SADJLLNGLYXYGC-SQJMNOBHSA-N 1 0 418.622 5.644 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225703999 568665946 /nfs/dbraw/zinc/66/59/46/568665946.db2.gz SADJLLNGLYXYGC-OFVILXPXSA-N 1 0 418.622 5.644 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225704027 568666077 /nfs/dbraw/zinc/66/60/77/568666077.db2.gz RRWVYQLWGYZGGN-RUZDIDTESA-N 1 0 418.622 5.646 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225704056 520316709 /nfs/dbraw/zinc/31/67/09/520316709.db2.gz RRWVYQLWGYZGGN-VWLOTQADSA-N 1 0 418.622 5.646 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCC1 ZINC000225709621 568666609 /nfs/dbraw/zinc/66/66/09/568666609.db2.gz HRJQDEUSAHATLO-FQEVSTJZSA-N 1 0 402.579 5.008 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000225709651 568666638 /nfs/dbraw/zinc/66/66/38/568666638.db2.gz OSADBBCJXWHSHS-UHFFFAOYSA-N 1 0 402.579 5.009 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225711302 521634073 /nfs/dbraw/zinc/63/40/73/521634073.db2.gz PXJHODXPTRCRNN-FQEVSTJZSA-N 1 0 402.579 5.008 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCCC1 ZINC000225711337 568666896 /nfs/dbraw/zinc/66/68/96/568666896.db2.gz ITZAQOKKFJBDSV-OYRHEFFESA-N 1 0 416.606 5.111 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCCCCC1 ZINC000225711359 568666891 /nfs/dbraw/zinc/66/68/91/568666891.db2.gz ITZAQOKKFJBDSV-NHCUHLMSSA-N 1 0 416.606 5.111 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCCCCC1 ZINC000225711380 521634658 /nfs/dbraw/zinc/63/46/58/521634658.db2.gz ITZAQOKKFJBDSV-SFTDATJTSA-N 1 0 416.606 5.111 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCCCC1 ZINC000225711404 568666845 /nfs/dbraw/zinc/66/68/45/568666845.db2.gz BBLJENSZOWTAQE-UHFFFAOYSA-N 1 0 402.579 5.009 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCCCC1 ZINC000225711500 521633806 /nfs/dbraw/zinc/63/38/06/521633806.db2.gz NPABEWFLYIZURJ-UHFFFAOYSA-N 1 0 402.579 5.009 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCCCCC1 ZINC000225711579 521633844 /nfs/dbraw/zinc/63/38/44/521633844.db2.gz VJUSYBBCSVREQK-UHFFFAOYSA-N 1 0 416.606 5.255 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225711604 568666823 /nfs/dbraw/zinc/66/68/23/568666823.db2.gz QMSZOYJHAHQGAX-OAQYLSRUSA-N 1 0 416.606 5.255 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225711643 568666889 /nfs/dbraw/zinc/66/68/89/568666889.db2.gz MESYLMDKPRJZFP-NRFANRHFSA-N 1 0 416.606 5.398 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCCCC1 ZINC000225711679 521634609 /nfs/dbraw/zinc/63/46/09/521634609.db2.gz RTHATYDXCNEXNX-UHFFFAOYSA-N 1 0 416.606 5.400 40 0 HKABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225716179 568667246 /nfs/dbraw/zinc/66/72/46/568667246.db2.gz BUHRMUPLMATFAI-BWKNWUBXSA-N 1 0 416.606 5.111 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225716211 568667273 /nfs/dbraw/zinc/66/72/73/568667273.db2.gz BUHRMUPLMATFAI-PXDATVDWSA-N 1 0 416.606 5.111 40 0 HKABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225716241 568667374 /nfs/dbraw/zinc/66/73/74/568667374.db2.gz BUHRMUPLMATFAI-OFVILXPXSA-N 1 0 416.606 5.111 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225716271 568667278 /nfs/dbraw/zinc/66/72/78/568667278.db2.gz BUHRMUPLMATFAI-SQJMNOBHSA-N 1 0 416.606 5.111 40 0 HKABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225716316 568667286 /nfs/dbraw/zinc/66/72/86/568667286.db2.gz HXZRBLHJDVOPBD-OTPAQWSUSA-N 1 0 416.606 5.111 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225716343 568667297 /nfs/dbraw/zinc/66/72/97/568667297.db2.gz HXZRBLHJDVOPBD-DNRQZRRGSA-N 1 0 416.606 5.111 40 0 HKABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225716396 568667262 /nfs/dbraw/zinc/66/72/62/568667262.db2.gz QQAIJZWRFPQGSN-CZSZKKDXSA-N 1 0 416.606 5.254 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225716430 568667221 /nfs/dbraw/zinc/66/72/21/568667221.db2.gz QQAIJZWRFPQGSN-TYBLODHISA-N 1 0 416.606 5.254 40 0 HKABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225716458 568667177 /nfs/dbraw/zinc/66/71/77/568667177.db2.gz BZKKHYFAPQQPEG-BWKNWUBXSA-N 1 0 416.606 5.255 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225716488 568667323 /nfs/dbraw/zinc/66/73/23/568667323.db2.gz BZKKHYFAPQQPEG-PXDATVDWSA-N 1 0 416.606 5.255 40 0 HKABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225716519 520456782 /nfs/dbraw/zinc/45/67/82/520456782.db2.gz BZKKHYFAPQQPEG-OFVILXPXSA-N 1 0 416.606 5.255 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225716548 568667363 /nfs/dbraw/zinc/66/73/63/568667363.db2.gz BZKKHYFAPQQPEG-SQJMNOBHSA-N 1 0 416.606 5.255 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC(C)CC1 ZINC000225720689 568667824 /nfs/dbraw/zinc/66/78/24/568667824.db2.gz AGILNFURPFDIKN-UHFFFAOYSA-N 1 0 416.606 5.111 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225720724 568667770 /nfs/dbraw/zinc/66/77/70/568667770.db2.gz UKIHROCSYJEUPP-YOOZRZFBSA-N 1 0 416.606 5.111 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225720769 568667750 /nfs/dbraw/zinc/66/77/50/568667750.db2.gz HMUHJAGFGCYDRA-JQJXBVGUSA-N 1 0 416.606 5.254 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC(C)CC1 ZINC000225720799 568667692 /nfs/dbraw/zinc/66/76/92/568667692.db2.gz PLNNFDJLALFEDF-UHFFFAOYSA-N 1 0 416.606 5.255 40 0 HKABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225728280 568668533 /nfs/dbraw/zinc/66/85/33/568668533.db2.gz IHFGLLGJMWRUNV-CHWSQXEVSA-N 1 0 407.933 5.013 40 0 HKABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225728304 568668509 /nfs/dbraw/zinc/66/85/09/568668509.db2.gz IHFGLLGJMWRUNV-BETUJISGSA-N 1 0 407.933 5.013 40 0 HKABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225728330 568668434 /nfs/dbraw/zinc/66/84/34/568668434.db2.gz IHFGLLGJMWRUNV-STQMWFEESA-N 1 0 407.933 5.013 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225734664 568669289 /nfs/dbraw/zinc/66/92/89/568669289.db2.gz RESNLXHLNWNLGN-RDPSFJRHSA-N 1 0 404.595 5.110 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225734699 568669423 /nfs/dbraw/zinc/66/94/23/568669423.db2.gz RESNLXHLNWNLGN-GBXCKJPGSA-N 1 0 404.595 5.110 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225734736 568669266 /nfs/dbraw/zinc/66/92/66/568669266.db2.gz WBKAZQBLMDNYLQ-BKSPAHHJSA-N 1 0 418.622 5.213 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225734765 568669297 /nfs/dbraw/zinc/66/92/97/568669297.db2.gz WBKAZQBLMDNYLQ-TYBLODHISA-N 1 0 418.622 5.213 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225734794 520277656 /nfs/dbraw/zinc/27/76/56/520277656.db2.gz WBKAZQBLMDNYLQ-OTPAQWSUSA-N 1 0 418.622 5.213 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225734819 520288469 /nfs/dbraw/zinc/28/84/69/520288469.db2.gz WBKAZQBLMDNYLQ-DNRQZRRGSA-N 1 0 418.622 5.213 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225734848 568669487 /nfs/dbraw/zinc/66/94/87/568669487.db2.gz DNYVPEBEPBJWLP-DEOSSOPVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225734879 568669303 /nfs/dbraw/zinc/66/93/03/568669303.db2.gz DNYVPEBEPBJWLP-XMMPIXPASA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225735107 568669375 /nfs/dbraw/zinc/66/93/75/568669375.db2.gz MCINQRBINYADGG-DEOSSOPVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225735136 568669493 /nfs/dbraw/zinc/66/94/93/568669493.db2.gz MCINQRBINYADGG-XMMPIXPASA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225735253 568669365 /nfs/dbraw/zinc/66/93/65/568669365.db2.gz KICKKGYEGFDKHT-VWLOTQADSA-N 1 0 418.622 5.357 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225735280 568669428 /nfs/dbraw/zinc/66/94/28/568669428.db2.gz KICKKGYEGFDKHT-RUZDIDTESA-N 1 0 418.622 5.357 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225735316 568669320 /nfs/dbraw/zinc/66/93/20/568669320.db2.gz UMKUXPGPQHRTGM-BWKNWUBXSA-N 1 0 418.622 5.357 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225735345 568669281 /nfs/dbraw/zinc/66/92/81/568669281.db2.gz UMKUXPGPQHRTGM-PXDATVDWSA-N 1 0 418.622 5.357 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225735383 568669312 /nfs/dbraw/zinc/66/93/12/568669312.db2.gz RKNOXLGCMMAZAD-OFVILXPXSA-N 1 0 418.622 5.500 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225735410 568669481 /nfs/dbraw/zinc/66/94/81/568669481.db2.gz RKNOXLGCMMAZAD-SQJMNOBHSA-N 1 0 418.622 5.500 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225735436 520277359 /nfs/dbraw/zinc/27/73/59/520277359.db2.gz RIIBGSXKYIFXSJ-VWLOTQADSA-N 1 0 418.622 5.501 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225735467 568669485 /nfs/dbraw/zinc/66/94/85/568669485.db2.gz RIIBGSXKYIFXSJ-RUZDIDTESA-N 1 0 418.622 5.501 40 0 HKABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 ZINC000225736426 568669384 /nfs/dbraw/zinc/66/93/84/568669384.db2.gz FOTDEVJYPQICMW-LJQANCHMSA-N 1 0 413.656 5.387 40 0 HKABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 ZINC000225736454 568669332 /nfs/dbraw/zinc/66/93/32/568669332.db2.gz FOTDEVJYPQICMW-IBGZPJMESA-N 1 0 413.656 5.387 40 0 HKABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225739268 520276975 /nfs/dbraw/zinc/27/69/75/520276975.db2.gz NMXYNXSXRRAURL-DEOSSOPVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225739296 568669982 /nfs/dbraw/zinc/66/99/82/568669982.db2.gz NMXYNXSXRRAURL-XMMPIXPASA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225739340 568669879 /nfs/dbraw/zinc/66/98/79/568669879.db2.gz KAMVYTHOCWZQRY-YKSBVNFPSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225739364 520290569 /nfs/dbraw/zinc/29/05/69/520290569.db2.gz KAMVYTHOCWZQRY-HYBUGGRVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225739413 568669866 /nfs/dbraw/zinc/66/98/66/568669866.db2.gz OIWNDTWEBBBVDP-RDPSFJRHSA-N 1 0 404.595 5.254 40 0 HKABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225739437 568669848 /nfs/dbraw/zinc/66/98/48/568669848.db2.gz OIWNDTWEBBBVDP-GBXCKJPGSA-N 1 0 404.595 5.254 40 0 HKABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225739470 568669871 /nfs/dbraw/zinc/66/98/71/568669871.db2.gz ORCVTPWNOUSAOK-DEOSSOPVSA-N 1 0 404.595 5.255 40 0 HKABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225739501 568669927 /nfs/dbraw/zinc/66/99/27/568669927.db2.gz ORCVTPWNOUSAOK-XMMPIXPASA-N 1 0 404.595 5.255 40 0 HKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225741981 568670108 /nfs/dbraw/zinc/67/01/08/568670108.db2.gz ZKJWMYJUGDHYQP-UHFFFAOYSA-N 1 0 420.638 5.603 40 0 HKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225742016 568670176 /nfs/dbraw/zinc/67/01/76/568670176.db2.gz GZEMPTMTWIKZDT-UHFFFAOYSA-N 1 0 418.622 5.357 40 0 HKABRO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225742376 520227622 /nfs/dbraw/zinc/22/76/22/520227622.db2.gz HPBBTUBIOOAMLU-UHFFFAOYSA-N 1 0 406.611 5.213 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225744993 568670883 /nfs/dbraw/zinc/67/08/83/568670883.db2.gz KJVWBEXQRZASNL-XMMPIXPASA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225745018 568670776 /nfs/dbraw/zinc/67/07/76/568670776.db2.gz KJVWBEXQRZASNL-DEOSSOPVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225745055 568670679 /nfs/dbraw/zinc/67/06/79/568670679.db2.gz UKOKJOCKLRONSK-HYBUGGRVSA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225745087 568670733 /nfs/dbraw/zinc/67/07/33/568670733.db2.gz UKOKJOCKLRONSK-YKSBVNFPSA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225745126 568670815 /nfs/dbraw/zinc/67/08/15/568670815.db2.gz SLESWSKNIAROBD-GBXCKJPGSA-N 1 0 404.595 5.254 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225745160 568670863 /nfs/dbraw/zinc/67/08/63/568670863.db2.gz SLESWSKNIAROBD-RDPSFJRHSA-N 1 0 404.595 5.254 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225745197 568670839 /nfs/dbraw/zinc/67/08/39/568670839.db2.gz MLMODSNKIRNXCC-TYBLODHISA-N 1 0 418.622 5.357 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225745228 568670847 /nfs/dbraw/zinc/67/08/47/568670847.db2.gz MLMODSNKIRNXCC-BKSPAHHJSA-N 1 0 418.622 5.357 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225745252 568670729 /nfs/dbraw/zinc/67/07/29/568670729.db2.gz MLMODSNKIRNXCC-DNRQZRRGSA-N 1 0 418.622 5.357 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225745280 568670664 /nfs/dbraw/zinc/67/06/64/568670664.db2.gz MLMODSNKIRNXCC-OTPAQWSUSA-N 1 0 418.622 5.357 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225745314 521121205 /nfs/dbraw/zinc/12/12/05/521121205.db2.gz HEANBACKXWOYCM-XMMPIXPASA-N 1 0 404.595 5.255 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225745349 568670658 /nfs/dbraw/zinc/67/06/58/568670658.db2.gz HEANBACKXWOYCM-DEOSSOPVSA-N 1 0 404.595 5.255 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225745563 521120975 /nfs/dbraw/zinc/12/09/75/521120975.db2.gz GGMLYXANWDLVRV-XMMPIXPASA-N 1 0 404.595 5.255 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225745586 568670671 /nfs/dbraw/zinc/67/06/71/568670671.db2.gz GGMLYXANWDLVRV-DEOSSOPVSA-N 1 0 404.595 5.255 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225745683 568670811 /nfs/dbraw/zinc/67/08/11/568670811.db2.gz NXRQOOMIFULTDG-RUZDIDTESA-N 1 0 418.622 5.501 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225745703 568670667 /nfs/dbraw/zinc/67/06/67/568670667.db2.gz NXRQOOMIFULTDG-VWLOTQADSA-N 1 0 418.622 5.501 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225745730 568670785 /nfs/dbraw/zinc/67/07/85/568670785.db2.gz DXZVBTNARMVXHV-PXDATVDWSA-N 1 0 418.622 5.501 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225745754 568670792 /nfs/dbraw/zinc/67/07/92/568670792.db2.gz DXZVBTNARMVXHV-BWKNWUBXSA-N 1 0 418.622 5.501 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225745776 568670830 /nfs/dbraw/zinc/67/08/30/568670830.db2.gz LKZSARKEWIKOOG-SQJMNOBHSA-N 1 0 418.622 5.644 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225745801 568670713 /nfs/dbraw/zinc/67/07/13/568670713.db2.gz LKZSARKEWIKOOG-OFVILXPXSA-N 1 0 418.622 5.644 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225745823 521121087 /nfs/dbraw/zinc/12/10/87/521121087.db2.gz OTHPPDKLXMDEJM-RUZDIDTESA-N 1 0 418.622 5.646 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225745849 568670697 /nfs/dbraw/zinc/67/06/97/568670697.db2.gz OTHPPDKLXMDEJM-VWLOTQADSA-N 1 0 418.622 5.646 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225749593 568670954 /nfs/dbraw/zinc/67/09/54/568670954.db2.gz YAYBTPVYIVLTIO-XMMPIXPASA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225749619 568671098 /nfs/dbraw/zinc/67/10/98/568671098.db2.gz YAYBTPVYIVLTIO-DEOSSOPVSA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225749729 568671050 /nfs/dbraw/zinc/67/10/50/568671050.db2.gz GSQSOXFZBQNNMD-RUZDIDTESA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225749759 568670935 /nfs/dbraw/zinc/67/09/35/568670935.db2.gz GSQSOXFZBQNNMD-VWLOTQADSA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225749802 568671088 /nfs/dbraw/zinc/67/10/88/568671088.db2.gz WQTXITUSWDIYKN-PXDATVDWSA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225749831 568670967 /nfs/dbraw/zinc/67/09/67/568670967.db2.gz WQTXITUSWDIYKN-BWKNWUBXSA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225749874 568670928 /nfs/dbraw/zinc/67/09/28/568670928.db2.gz UDSSAGQUWUAAQZ-SQJMNOBHSA-N 1 0 418.622 5.644 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225749900 568671058 /nfs/dbraw/zinc/67/10/58/568671058.db2.gz UDSSAGQUWUAAQZ-OFVILXPXSA-N 1 0 418.622 5.644 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225750054 520296243 /nfs/dbraw/zinc/29/62/43/520296243.db2.gz OYBGIGNKRTWBHT-RUZDIDTESA-N 1 0 418.622 5.646 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225750080 520317525 /nfs/dbraw/zinc/31/75/25/520317525.db2.gz OYBGIGNKRTWBHT-VWLOTQADSA-N 1 0 418.622 5.646 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225750188 568671047 /nfs/dbraw/zinc/67/10/47/568671047.db2.gz LRRJWPQPRKNHOU-XMMPIXPASA-N 1 0 406.611 5.501 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225750205 568671327 /nfs/dbraw/zinc/67/13/27/568671327.db2.gz LRRJWPQPRKNHOU-DEOSSOPVSA-N 1 0 406.611 5.501 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225750247 568671200 /nfs/dbraw/zinc/67/12/00/568671200.db2.gz RIFJOMYYNQYCLJ-XMMPIXPASA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225750277 568671204 /nfs/dbraw/zinc/67/12/04/568671204.db2.gz RIFJOMYYNQYCLJ-DEOSSOPVSA-N 1 0 404.595 5.255 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225750307 568671211 /nfs/dbraw/zinc/67/12/11/568671211.db2.gz RWFCKOMORBZJCL-RUZDIDTESA-N 1 0 418.622 5.646 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225750332 568671296 /nfs/dbraw/zinc/67/12/96/568671296.db2.gz RWFCKOMORBZJCL-VWLOTQADSA-N 1 0 418.622 5.646 40 0 HKABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225779300 568674156 /nfs/dbraw/zinc/67/41/56/568674156.db2.gz FGKYHJBMGHUMSW-OAQYLSRUSA-N 1 0 414.977 5.303 40 0 HKABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225779320 568674198 /nfs/dbraw/zinc/67/41/98/568674198.db2.gz FGKYHJBMGHUMSW-NRFANRHFSA-N 1 0 414.977 5.303 40 0 HKABRO CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906615 568684785 /nfs/dbraw/zinc/68/47/85/568684785.db2.gz MIHJQOKSOQGUQJ-QGZVFWFLSA-N 1 0 409.332 5.003 40 0 HKABRO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906635 568684853 /nfs/dbraw/zinc/68/48/53/568684853.db2.gz MIHJQOKSOQGUQJ-KRWDZBQOSA-N 1 0 409.332 5.003 40 0 HKABRO Cc1ccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000225907742 568685066 /nfs/dbraw/zinc/68/50/66/568685066.db2.gz YVBBHZLXWCGWME-GOSISDBHSA-N 1 0 405.369 5.485 40 0 HKABRO Cc1ccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000225907762 568685125 /nfs/dbraw/zinc/68/51/25/568685125.db2.gz YVBBHZLXWCGWME-SFHVURJKSA-N 1 0 405.369 5.485 40 0 HKABRO CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909620 568685420 /nfs/dbraw/zinc/68/54/20/568685420.db2.gz HQCXLNNBETZGIQ-MRXNPFEDSA-N 1 0 409.332 5.003 40 0 HKABRO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909637 568685516 /nfs/dbraw/zinc/68/55/16/568685516.db2.gz HQCXLNNBETZGIQ-INIZCTEOSA-N 1 0 409.332 5.003 40 0 HKABRO Cc1ccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000225910797 568685472 /nfs/dbraw/zinc/68/54/72/568685472.db2.gz VSRYJWUFYJZNNF-QGZVFWFLSA-N 1 0 405.369 5.485 40 0 HKABRO Cc1ccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000225910817 568685461 /nfs/dbraw/zinc/68/54/61/568685461.db2.gz VSRYJWUFYJZNNF-KRWDZBQOSA-N 1 0 405.369 5.485 40 0 HKABRO C[N@H+](C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 ZINC000226069666 559272740 /nfs/dbraw/zinc/27/27/40/559272740.db2.gz LCIWUYFHXJRBEI-HSZRJFAPSA-N 1 0 419.650 5.421 40 0 HKABRO C[N@H+](C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 ZINC000226069682 559272751 /nfs/dbraw/zinc/27/27/51/559272751.db2.gz LCIWUYFHXJRBEI-QHCPKHFHSA-N 1 0 419.650 5.421 40 0 HKABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000226069701 559272801 /nfs/dbraw/zinc/27/28/01/559272801.db2.gz LZMSFENOCCKTTA-MQSCRBSSSA-N 1 0 419.650 5.420 40 0 HKABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000226069712 559272753 /nfs/dbraw/zinc/27/27/53/559272753.db2.gz LZMSFENOCCKTTA-FUPPJEDESA-N 1 0 419.650 5.420 40 0 HKABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 ZINC000226069976 559272749 /nfs/dbraw/zinc/27/27/49/559272749.db2.gz DKQZZSIPHROKMK-MQSCRBSSSA-N 1 0 419.650 5.135 40 0 HKABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 ZINC000226069983 559272756 /nfs/dbraw/zinc/27/27/56/559272756.db2.gz DKQZZSIPHROKMK-FUPPJEDESA-N 1 0 419.650 5.135 40 0 HKABRO C[N@H+](C[C@@H](O)COCCOc1ccc(C(C)(C)C)cc1C(C)(C)C)C1CCCCC1 ZINC000226070415 559272779 /nfs/dbraw/zinc/27/27/79/559272779.db2.gz PEEJTEDVLCAULH-JOCHJYFZSA-N 1 0 419.650 5.302 40 0 HKABRO C[N@H+](C[C@H](O)COCCOc1ccc(C(C)(C)C)cc1C(C)(C)C)C1CCCCC1 ZINC000226070425 559272763 /nfs/dbraw/zinc/27/27/63/559272763.db2.gz PEEJTEDVLCAULH-QFIPXVFZSA-N 1 0 419.650 5.302 40 0 HKABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 ZINC000226070631 559272739 /nfs/dbraw/zinc/27/27/39/559272739.db2.gz OVAHSFANFACHDY-KCZVDYSFSA-N 1 0 419.650 5.016 40 0 HKABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 ZINC000226070642 559272792 /nfs/dbraw/zinc/27/27/92/559272792.db2.gz OVAHSFANFACHDY-RZUBCFFCSA-N 1 0 419.650 5.016 40 0 HKABRO Fc1ccccc1C[n+]1cc(Br)cc(-c2nc3ccccc3s2)c1 ZINC000226308033 559273088 /nfs/dbraw/zinc/27/30/88/559273088.db2.gz YRYKDOHGYYCROK-UHFFFAOYSA-N 1 0 400.296 5.201 40 0 HKABRO CCc1ccc2oc(-c3cc(Br)c[n+](Cc4ccccc4F)c3)nc2c1 ZINC000226308070 559273127 /nfs/dbraw/zinc/27/31/27/559273127.db2.gz HPDSWRLRGPTOFD-UHFFFAOYSA-N 1 0 412.282 5.295 40 0 HKABRO Cc1cc2nc(-c3cc(Br)c[n+](Cc4ccccc4F)c3)oc2cc1C ZINC000226308078 559273113 /nfs/dbraw/zinc/27/31/13/559273113.db2.gz ZAQXZLCXQNFSCH-UHFFFAOYSA-N 1 0 412.282 5.349 40 0 HKABRO Cc1cc2nc(-c3cc(Br)c[n+](Cc4ccccc4F)c3)oc2c(C)c1 ZINC000226308088 559273091 /nfs/dbraw/zinc/27/30/91/559273091.db2.gz SIGIMHKAFWIWGC-UHFFFAOYSA-N 1 0 412.282 5.349 40 0 HKABRO CCc1ccc2oc(-c3cc(Br)c[n+](Cc4cccc(F)c4)c3)nc2c1 ZINC000226308157 559273093 /nfs/dbraw/zinc/27/30/93/559273093.db2.gz VZTBOAKTLSPREG-UHFFFAOYSA-N 1 0 412.282 5.295 40 0 HKABRO Cc1cc2nc(-c3cc(Br)c[n+](Cc4cccc(F)c4)c3)oc2cc1C ZINC000226308164 559273096 /nfs/dbraw/zinc/27/30/96/559273096.db2.gz WUIDDKSWKHKARH-UHFFFAOYSA-N 1 0 412.282 5.349 40 0 HKABRO Cc1cc2nc(-c3cc(Br)c[n+](Cc4cccc(F)c4)c3)oc2c(C)c1 ZINC000226308173 559273123 /nfs/dbraw/zinc/27/31/23/559273123.db2.gz XDOJVMJSRVLZDJ-UHFFFAOYSA-N 1 0 412.282 5.349 40 0 HKABRO Fc1cccc(C[n+]2cc(Br)cc(-c3nc4ccccc4s3)c2)c1 ZINC000226308181 559273136 /nfs/dbraw/zinc/27/31/36/559273136.db2.gz XESOKXMEQKEXOZ-UHFFFAOYSA-N 1 0 400.296 5.201 40 0 HKABRO Fc1ccc(C[n+]2cc(Br)cc(-c3nc4ccccc4s3)c2)cc1 ZINC000226308349 559273092 /nfs/dbraw/zinc/27/30/92/559273092.db2.gz BGQACFMGMQNUSN-UHFFFAOYSA-N 1 0 400.296 5.201 40 0 HKABRO CCc1ccc2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4)c3)nc2c1 ZINC000226308385 559273239 /nfs/dbraw/zinc/27/32/39/559273239.db2.gz LDNSIJCHDMWFOG-UHFFFAOYSA-N 1 0 412.282 5.295 40 0 HKABRO Cc1cc2nc(-c3cc(Br)c[n+](Cc4ccc(F)cc4)c3)oc2c(C)c1 ZINC000226308395 559273236 /nfs/dbraw/zinc/27/32/36/559273236.db2.gz ALVYLFXOSFUKHQ-UHFFFAOYSA-N 1 0 412.282 5.349 40 0 HKABRO Cc1cc2nc(-c3cc(Br)c[n+](Cc4ccc(F)cc4)c3)oc2cc1C ZINC000226308407 559273218 /nfs/dbraw/zinc/27/32/18/559273218.db2.gz ALVNSKYMGIENAU-UHFFFAOYSA-N 1 0 412.282 5.349 40 0 HKABRO Fc1ccc(C[n+]2cc(Br)cc(-c3nc4ccccc4o3)c2)c(Cl)c1 ZINC000226308443 559273255 /nfs/dbraw/zinc/27/32/55/559273255.db2.gz AFWFTLXRWRNNLY-UHFFFAOYSA-N 1 0 418.673 5.386 40 0 HKABRO Fc1ccc(C[n+]2cccc(-c3nc4cc(-c5ccccc5)ccc4o3)c2)c(Cl)c1 ZINC000226308555 559273201 /nfs/dbraw/zinc/27/32/01/559273201.db2.gz IUXSKOQOHJOZES-UHFFFAOYSA-N 1 0 415.875 6.290 40 0 HKABRO CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)ccc1O ZINC000226420628 559273810 /nfs/dbraw/zinc/27/38/10/559273810.db2.gz XGYONAAGJOZHRO-XHEQKNDOSA-N 1 0 407.554 5.172 40 0 HKABRO O[C@@H]1CCCC[C@@H]1[N@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 ZINC000226644153 568696828 /nfs/dbraw/zinc/69/68/28/568696828.db2.gz TYXBYAIWRNBADF-URLMMPGGSA-N 1 0 424.588 5.995 40 0 HKABRO O[C@@H]1CCCC[C@H]1[N@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 ZINC000226644165 568696993 /nfs/dbraw/zinc/69/69/93/568696993.db2.gz TYXBYAIWRNBADF-FQLXRVMXSA-N 1 0 424.588 5.995 40 0 HKABRO CCC[n+]1cc(Br)cc(-c2nc3ccc(Br)cc3s2)c1 ZINC000226776758 569279389 /nfs/dbraw/zinc/27/93/89/569279389.db2.gz VGKPYHANYIOLGL-UHFFFAOYSA-N 1 0 413.158 5.186 40 0 HKABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000231432705 569356738 /nfs/dbraw/zinc/35/67/38/569356738.db2.gz LZMSFENOCCKTTA-XJUOHMSHSA-N 1 0 419.650 5.420 40 0 HKABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000231432760 569356782 /nfs/dbraw/zinc/35/67/82/569356782.db2.gz LZMSFENOCCKTTA-XPNTWCBSSA-N 1 0 419.650 5.420 40 0 HKABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 ZINC000231432816 569356791 /nfs/dbraw/zinc/35/67/91/569356791.db2.gz DKQZZSIPHROKMK-XJUOHMSHSA-N 1 0 419.650 5.135 40 0 HKABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 ZINC000231432874 569356729 /nfs/dbraw/zinc/35/67/29/569356729.db2.gz DKQZZSIPHROKMK-XPNTWCBSSA-N 1 0 419.650 5.135 40 0 HKABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 ZINC000231433004 569356734 /nfs/dbraw/zinc/35/67/34/569356734.db2.gz OVAHSFANFACHDY-VWPQPMDRSA-N 1 0 419.650 5.016 40 0 HKABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 ZINC000231433062 569356736 /nfs/dbraw/zinc/35/67/36/569356736.db2.gz OVAHSFANFACHDY-SJBKTWHCSA-N 1 0 419.650 5.016 40 0 HKABRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000245227207 569370224 /nfs/dbraw/zinc/37/02/24/569370224.db2.gz GACVFXYUDRVNOK-JWQCQUIFSA-N 1 0 419.496 5.289 40 0 HKABRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000245227208 569370235 /nfs/dbraw/zinc/37/02/35/569370235.db2.gz GACVFXYUDRVNOK-LOSJGSFVSA-N 1 0 419.496 5.289 40 0 HKABRO CCOc1ccc([C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000245227432 569370254 /nfs/dbraw/zinc/37/02/54/569370254.db2.gz MENHDFSNXLOASS-KAYWLYCHSA-N 1 0 400.566 5.233 40 0 HKABRO CCOc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000245227433 569370246 /nfs/dbraw/zinc/37/02/46/569370246.db2.gz MENHDFSNXLOASS-RRPNLBNLSA-N 1 0 400.566 5.233 40 0 HKABRO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccco1)[N@@H+]2Cc1ccccc1 ZINC000245227939 569370271 /nfs/dbraw/zinc/37/02/71/569370271.db2.gz ZHLJKTQAWJWBRF-AXJZPPOTSA-N 1 0 417.505 5.034 40 0 HKABRO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccco1)[N@@H+]2Cc1ccccc1 ZINC000245227940 569370267 /nfs/dbraw/zinc/37/02/67/569370267.db2.gz ZHLJKTQAWJWBRF-NCAYHCJHSA-N 1 0 417.505 5.034 40 0 HKABRO C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@H]1C[C@H](C[NH+]1CCCCC1)C2=O ZINC000245241163 569370477 /nfs/dbraw/zinc/37/04/77/569370477.db2.gz YHCZRFRDIZKNKD-UTYCNODKSA-N 1 0 401.635 5.061 40 0 HKABRO Cc1cc(Oc2ccc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000248123310 569371162 /nfs/dbraw/zinc/37/11/62/569371162.db2.gz WBNPUCPODDVVIU-FIDNPTQWSA-N 1 0 405.542 5.024 40 0 HKABRO C[C@H](CC[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000248243686 569371633 /nfs/dbraw/zinc/37/16/33/569371633.db2.gz PLPUHLFQJZSMBX-BKULYWANSA-N 1 0 407.602 5.191 40 0 HKABRO C[C@H](CC[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000248243689 569371670 /nfs/dbraw/zinc/37/16/70/569371670.db2.gz PLPUHLFQJZSMBX-JCTONOIOSA-N 1 0 407.602 5.191 40 0 HKABRO CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@@H]2C ZINC000252162824 291273916 /nfs/dbraw/zinc/27/39/16/291273916.db2.gz QASFUMOKHFSJGL-AQSYITRHSA-N 1 0 411.630 5.002 40 0 biogenic,in-vitro HKABRO CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@H]2C ZINC000252162825 291273939 /nfs/dbraw/zinc/27/39/39/291273939.db2.gz QASFUMOKHFSJGL-MHRNSSLYSA-N 1 0 411.630 5.002 40 0 biogenic,in-vitro HKABRO CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000252162826 291273908 /nfs/dbraw/zinc/27/39/08/291273908.db2.gz QASFUMOKHFSJGL-PGKHQSRWSA-N 1 0 411.630 5.002 40 0 biogenic,in-vitro HKABRO CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@@H]2C ZINC000252162827 291273943 /nfs/dbraw/zinc/27/39/43/291273943.db2.gz QASFUMOKHFSJGL-WESAVMKZSA-N 1 0 411.630 5.002 40 0 biogenic,in-vitro HKABRO C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1C[C@@H](C[NH+]1CCCCC1)C2=O ZINC000253617611 569374420 /nfs/dbraw/zinc/37/44/20/569374420.db2.gz YHCZRFRDIZKNKD-CBOXQINNSA-N 1 0 401.635 5.061 40 0 HKABRO C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1C[C@H](C[NH+]1CCCCC1)C2=O ZINC000253617612 569374385 /nfs/dbraw/zinc/37/43/85/569374385.db2.gz YHCZRFRDIZKNKD-DQDZBENBSA-N 1 0 401.635 5.061 40 0 HKABRO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)cc21 ZINC000257198784 569376613 /nfs/dbraw/zinc/37/66/13/569376613.db2.gz IFQVDHKHKVDYQC-CONSUNNSSA-N 1 0 417.597 5.257 40 0 HKABRO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC000257198785 569376626 /nfs/dbraw/zinc/37/66/26/569376626.db2.gz IFQVDHKHKVDYQC-POMLREGLSA-N 1 0 417.597 5.257 40 0 HKABRO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)cc21 ZINC000257198786 569376618 /nfs/dbraw/zinc/37/66/18/569376618.db2.gz IFQVDHKHKVDYQC-UHCVVMIDSA-N 1 0 417.597 5.257 40 0 HKABRO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)cc21 ZINC000257198787 569376635 /nfs/dbraw/zinc/37/66/35/569376635.db2.gz IFQVDHKHKVDYQC-WSKLTFMVSA-N 1 0 417.597 5.257 40 0 HKABRO COc1ccc(CC[N@@H+]2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 ZINC000257199985 569376624 /nfs/dbraw/zinc/37/66/24/569376624.db2.gz ABNQHQAHTNFOBC-HSZRJFAPSA-N 1 0 404.529 5.242 40 0 HKABRO COc1ccc(CC[N@@H+]2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 ZINC000257199986 569376592 /nfs/dbraw/zinc/37/65/92/569376592.db2.gz ABNQHQAHTNFOBC-QHCPKHFHSA-N 1 0 404.529 5.242 40 0 HKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)[NH2+][C@H]2c2ccc(Cl)cc2)n1 ZINC000257204145 569376732 /nfs/dbraw/zinc/37/67/32/569376732.db2.gz ATFGFYHBTDIYNK-BVSLBCMMSA-N 1 0 422.960 5.117 40 0 HKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)[NH2+][C@H]2c2ccc(Cl)cc2)n1 ZINC000257204146 569376697 /nfs/dbraw/zinc/37/66/97/569376697.db2.gz ATFGFYHBTDIYNK-HJNYFJLDSA-N 1 0 422.960 5.117 40 0 HKABRO O=C(CCc1ccccc1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000257206924 569376764 /nfs/dbraw/zinc/37/67/64/569376764.db2.gz BFMPNEIKSPEAAD-DNQXCXABSA-N 1 0 410.989 5.318 40 0 HKABRO COc1ccc(Cc2ccc(C3CC[NH+](Cc4ccc(C)cc4OC)CC3)nc2)cc1 ZINC000257207193 569376784 /nfs/dbraw/zinc/37/67/84/569376784.db2.gz BGSQBBFBLWMYJG-UHFFFAOYSA-N 1 0 416.565 5.378 40 0 HKABRO CC(C)n1cc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc21 ZINC000257208913 569376779 /nfs/dbraw/zinc/37/67/79/569376779.db2.gz BOBCUECKGMMZJQ-KRWDZBQOSA-N 1 0 417.578 5.525 40 0 HKABRO CC(C)n1cc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc21 ZINC000257208914 569376787 /nfs/dbraw/zinc/37/67/87/569376787.db2.gz BOBCUECKGMMZJQ-QGZVFWFLSA-N 1 0 417.578 5.525 40 0 HKABRO Cc1cccc(Nc2ccc([C@H]3CCCC[N@@H+]3Cc3ccc4nccnc4c3)cn2)n1 ZINC000257209596 569376759 /nfs/dbraw/zinc/37/67/59/569376759.db2.gz BQZPHIVXDSHRAQ-HSZRJFAPSA-N 1 0 410.525 5.199 40 0 HKABRO Cc1cccc(Nc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccc4nccnc4c3)cn2)n1 ZINC000257209597 569376755 /nfs/dbraw/zinc/37/67/55/569376755.db2.gz BQZPHIVXDSHRAQ-QHCPKHFHSA-N 1 0 410.525 5.199 40 0 HKABRO COc1cccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)cn2)c1 ZINC000257211372 569376705 /nfs/dbraw/zinc/37/67/05/569376705.db2.gz BYPYHUPTPIIPIZ-AREMUKBSSA-N 1 0 415.537 5.443 40 0 HKABRO COc1cccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)cn2)c1 ZINC000257211373 569376751 /nfs/dbraw/zinc/37/67/51/569376751.db2.gz BYPYHUPTPIIPIZ-SANMLTNESA-N 1 0 415.537 5.443 40 0 HKABRO COc1ccc(CC[N@@H+]2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 ZINC000257213161 569376728 /nfs/dbraw/zinc/37/67/28/569376728.db2.gz CGKNGGUNYZBLNS-HSZRJFAPSA-N 1 0 420.984 5.757 40 0 HKABRO COc1ccc(CC[N@@H+]2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 ZINC000257213162 569376768 /nfs/dbraw/zinc/37/67/68/569376768.db2.gz CGKNGGUNYZBLNS-QHCPKHFHSA-N 1 0 420.984 5.757 40 0 HKABRO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+]3Cc3cn(C)c4ccccc34)nc2)c1 ZINC000257214234 569376774 /nfs/dbraw/zinc/37/67/74/569376774.db2.gz CLDQKHJSBZAZPX-HHHXNRCGSA-N 1 0 411.549 5.510 40 0 HKABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+]3Cc3cn(C)c4ccccc34)nc2)c1 ZINC000257214235 569376872 /nfs/dbraw/zinc/37/68/72/569376872.db2.gz CLDQKHJSBZAZPX-MHZLTWQESA-N 1 0 411.549 5.510 40 0 HKABRO COc1ccc(CCCNc2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cc1 ZINC000257215763 569376840 /nfs/dbraw/zinc/37/68/40/569376840.db2.gz CROCJQSNLMRTOD-JOCHJYFZSA-N 1 0 407.602 5.647 40 0 HKABRO COc1ccc(CCCNc2cccc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cc1 ZINC000257215764 569376886 /nfs/dbraw/zinc/37/68/86/569376886.db2.gz CROCJQSNLMRTOD-QFIPXVFZSA-N 1 0 407.602 5.647 40 0 HKABRO CC(C)C[C@H]1C[N@H+](Cc2ccc(N3CCCC3=O)cc2)CC[C@H]1Nc1cccc(F)c1 ZINC000257215802 569376901 /nfs/dbraw/zinc/37/69/01/569376901.db2.gz CRSKIPSLVGTDDT-SQJMNOBHSA-N 1 0 423.576 5.301 40 0 HKABRO Cc1ccc(Oc2ccccc2O[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccc3)[C@H]2O)cc1 ZINC000257221689 569376856 /nfs/dbraw/zinc/37/68/56/569376856.db2.gz DQCOWENYVZGCLL-XSBVVTFOSA-N 1 0 417.549 5.580 40 0 HKABRO FC(F)(F)c1ccc(Cc2ccc(C3CC[NH+](CCc4ccccc4)CC3)nc2)cc1 ZINC000257221694 569376889 /nfs/dbraw/zinc/37/68/89/569376889.db2.gz DQCQEROTOITBKK-UHFFFAOYSA-N 1 0 424.510 6.113 40 0 HKABRO CCCC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCC3)CC2)C1 ZINC000257226917 569376971 /nfs/dbraw/zinc/37/69/71/569376971.db2.gz FMSSQXCWNMAUAT-UHFFFAOYSA-N 1 0 412.618 5.401 40 0 HKABRO Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3)[C@H]2O)cc1 ZINC000257227154 569377046 /nfs/dbraw/zinc/37/70/46/569377046.db2.gz FNYBMYVOKSGEPJ-VDKIKQQVSA-N 1 0 421.512 5.377 40 0 HKABRO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2cc(F)ccc2Oc2ccccc2)[C@@H]1O ZINC000257228630 569377035 /nfs/dbraw/zinc/37/70/35/569377035.db2.gz FUPVCNIQLYAMBB-QIGHUWCUSA-N 1 0 421.512 5.411 40 0 HKABRO COc1ccc(OCCNc2cccc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cc1 ZINC000257229691 569377010 /nfs/dbraw/zinc/37/70/10/569377010.db2.gz FZDVERMHOFTTGY-FQEVSTJZSA-N 1 0 409.574 5.093 40 0 HKABRO COc1ccc(OCCNc2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cc1 ZINC000257229692 569377005 /nfs/dbraw/zinc/37/70/05/569377005.db2.gz FZDVERMHOFTTGY-HXUWFJFHSA-N 1 0 409.574 5.093 40 0 HKABRO C[N@H+](CC1CCCCC1)C1CCC2(CC1)CN(C(=O)C1CCC1)Cc1ccccc1O2 ZINC000257229865 569377007 /nfs/dbraw/zinc/37/70/07/569377007.db2.gz FZTSBFLAXSLVOD-UHFFFAOYSA-N 1 0 424.629 5.401 40 0 HKABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1 ZINC000257231460 569377015 /nfs/dbraw/zinc/37/70/15/569377015.db2.gz GGTYLKLJVZWBDA-NRFANRHFSA-N 1 0 417.553 5.270 40 0 HKABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1 ZINC000257231461 569377023 /nfs/dbraw/zinc/37/70/23/569377023.db2.gz GGTYLKLJVZWBDA-OAQYLSRUSA-N 1 0 417.553 5.270 40 0 HKABRO CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](CC2CCCCC2)CC1 ZINC000257231787 569377002 /nfs/dbraw/zinc/37/70/02/569377002.db2.gz GIFWQVGBBAAXAZ-UHFFFAOYSA-N 1 0 419.613 5.042 40 0 HKABRO CC[C@@H](C)C[NH+]1CCC(COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000257232752 569376998 /nfs/dbraw/zinc/37/69/98/569376998.db2.gz GMGGHJVAUPJZHN-HSZRJFAPSA-N 1 0 422.613 5.242 40 0 HKABRO CC[C@H](C)C[NH+]1CCC(COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000257232753 569377032 /nfs/dbraw/zinc/37/70/32/569377032.db2.gz GMGGHJVAUPJZHN-QHCPKHFHSA-N 1 0 422.613 5.242 40 0 HKABRO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000257233639 569377155 /nfs/dbraw/zinc/37/71/55/569377155.db2.gz GQBRJDWBBGEWTN-MZKUHISZSA-N 1 0 402.538 5.305 40 0 HKABRO COc1ccccc1CCC[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257236987 569377160 /nfs/dbraw/zinc/37/71/60/569377160.db2.gz HESIBJPYLNGVLW-UHFFFAOYSA-N 1 0 402.542 5.041 40 0 HKABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)no1 ZINC000257238151 569377114 /nfs/dbraw/zinc/37/71/14/569377114.db2.gz HJUQFZYXQRCILV-JOCHJYFZSA-N 1 0 417.553 5.270 40 0 HKABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)no1 ZINC000257238152 569377162 /nfs/dbraw/zinc/37/71/62/569377162.db2.gz HJUQFZYXQRCILV-QFIPXVFZSA-N 1 0 417.553 5.270 40 0 HKABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2ccccc2F)N1 ZINC000257241196 569377105 /nfs/dbraw/zinc/37/71/05/569377105.db2.gz HXBOGSGTFJMPQJ-RPLLCQBOSA-N 1 0 414.524 5.131 40 0 HKABRO CC(C)C[C@H]1C[N@H+](Cc2ccc(N3CCCC3=O)cc2)CC[C@H]1Nc1ccccc1 ZINC000257249965 569377310 /nfs/dbraw/zinc/37/73/10/569377310.db2.gz JKLATANSRZDDHN-WIOPSUGQSA-N 1 0 405.586 5.162 40 0 HKABRO Cc1cc(Nc2nccs2)cc([C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)n1 ZINC000257252211 569377285 /nfs/dbraw/zinc/37/72/85/569377285.db2.gz JTYGOCKXFBXRLZ-GOSISDBHSA-N 1 0 401.539 5.128 40 0 HKABRO Cc1cc(Nc2nccs2)cc([C@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)n1 ZINC000257252212 569377297 /nfs/dbraw/zinc/37/72/97/569377297.db2.gz JTYGOCKXFBXRLZ-SFHVURJKSA-N 1 0 401.539 5.128 40 0 HKABRO CC(C)n1c2ccccc2nc1C[NH+]1CCC(c2ccc(Cc3ccccc3)cn2)CC1 ZINC000257254248 569377266 /nfs/dbraw/zinc/37/72/66/569377266.db2.gz KCIBKLMQOOSGPB-UHFFFAOYSA-N 1 0 424.592 5.983 40 0 HKABRO C[N@H+](CC1CCCCC1)C1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 ZINC000257256264 569377410 /nfs/dbraw/zinc/37/74/10/569377410.db2.gz KKSOVRKJCZWYQN-UHFFFAOYSA-N 1 0 410.602 5.011 40 0 HKABRO O=C1[C@H]2[C@H](C[C@H](c3ccc(F)cc3)[N@H+]2Cc2ccccc2)CCN1c1ccccc1 ZINC000257256353 569377407 /nfs/dbraw/zinc/37/74/07/569377407.db2.gz KLBUOOGRRUJOHM-FTBPSBKWSA-N 1 0 400.497 5.194 40 0 HKABRO CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](CC2CCCCC2)CC1 ZINC000257257473 569377368 /nfs/dbraw/zinc/37/73/68/569377368.db2.gz KPSCLLCXHPZJPC-UHFFFAOYSA-N 1 0 419.613 5.090 40 0 HKABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cc2ccccc2o1 ZINC000257258133 569377444 /nfs/dbraw/zinc/37/74/44/569377444.db2.gz KSMMJCJFWZBGAC-XDDUCGQKSA-N 1 0 414.549 5.179 40 0 HKABRO Cc1nc(Nc2cncc(C3CC[NH+](Cc4ccccc4Cl)CC3)n2)sc1C ZINC000257261681 569377425 /nfs/dbraw/zinc/37/74/25/569377425.db2.gz LIJZPLDCFMYONV-UHFFFAOYSA-N 1 0 413.978 5.327 40 0 HKABRO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000257262400 569377374 /nfs/dbraw/zinc/37/73/74/569377374.db2.gz LLFOURXPEYLPHQ-GOSISDBHSA-N 1 0 415.562 5.141 40 0 HKABRO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000257262401 569377420 /nfs/dbraw/zinc/37/74/20/569377420.db2.gz LLFOURXPEYLPHQ-SFHVURJKSA-N 1 0 415.562 5.141 40 0 HKABRO Cc1cccnc1Nc1ccc([C@H]2CCCC[N@@H+]2Cc2ccc3nccnc3c2)cn1 ZINC000257263242 569377413 /nfs/dbraw/zinc/37/74/13/569377413.db2.gz LOZWIEAPNFUMAI-HSZRJFAPSA-N 1 0 410.525 5.199 40 0 HKABRO Cc1cccnc1Nc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc3nccnc3c2)cn1 ZINC000257263243 569377361 /nfs/dbraw/zinc/37/73/61/569377361.db2.gz LOZWIEAPNFUMAI-QHCPKHFHSA-N 1 0 410.525 5.199 40 0 HKABRO CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(C[NH2+]Cc3cccs3)cc12 ZINC000257270494 569397913 /nfs/dbraw/zinc/39/79/13/569397913.db2.gz MULWUMRVIZQMGC-UHFFFAOYSA-N 1 0 410.974 5.723 40 0 HKABRO Cc1ccc2c(c1)oc1c2CC(C)(C)[C@H]2CC3(CC[NH+](C4CCOCC4)CC3)CO[C@H]12 ZINC000257271870 569377538 /nfs/dbraw/zinc/37/75/38/569377538.db2.gz NADHJTJROCSZTF-DHLKQENFSA-N 1 0 423.597 5.662 40 0 HKABRO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Nc2cccc(Oc3ccccc3)c2)[C@@H]1O ZINC000257275353 569377493 /nfs/dbraw/zinc/37/74/93/569377493.db2.gz NOZDMJIQBGCZMK-CYXNTTPDSA-N 1 0 402.538 5.305 40 0 HKABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)n1 ZINC000257275552 569377545 /nfs/dbraw/zinc/37/75/45/569377545.db2.gz NPWCPBCWXKGPGI-NRFANRHFSA-N 1 0 408.977 5.230 40 0 HKABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)n1 ZINC000257275553 569377525 /nfs/dbraw/zinc/37/75/25/569377525.db2.gz NPWCPBCWXKGPGI-OAQYLSRUSA-N 1 0 408.977 5.230 40 0 HKABRO Cc1ccnc(Nc2cc([C@H]3CCC[N@H+](Cc4c[nH]c5ccccc45)C3)nc(C)n2)c1 ZINC000257275972 569377497 /nfs/dbraw/zinc/37/74/97/569377497.db2.gz NRUSEGFKOBNTOZ-IBGZPJMESA-N 1 0 412.541 5.093 40 0 HKABRO Cc1ccnc(Nc2cc([C@@H]3CCC[N@H+](Cc4c[nH]c5ccccc45)C3)nc(C)n2)c1 ZINC000257275973 569377551 /nfs/dbraw/zinc/37/75/51/569377551.db2.gz NRUSEGFKOBNTOZ-LJQANCHMSA-N 1 0 412.541 5.093 40 0 HKABRO COc1cc(C[N@H+](Cc2ccccc2)Cc2ccccc2CO)ccc1OC(C)C ZINC000257279904 569377558 /nfs/dbraw/zinc/37/75/58/569377558.db2.gz OIQGUNRYCWMKES-UHFFFAOYSA-N 1 0 405.538 5.177 40 0 HKABRO CCN1CC2(CCC([N@H+](C)CC3CCCCCCC3)CC2)Oc2ccccc2C1=O ZINC000257281126 569377642 /nfs/dbraw/zinc/37/76/42/569377642.db2.gz ONTBEYONDLFSFS-UHFFFAOYSA-N 1 0 412.618 5.515 40 0 HKABRO C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)c(C[NH+]3CCCC3)cc1OC2(C)C ZINC000257283043 569377650 /nfs/dbraw/zinc/37/76/50/569377650.db2.gz OWOGENKQGODQSG-RTGAMMJTSA-N 1 0 421.581 5.889 40 0 HKABRO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(-c4ccccc4)c3)C[C@H]2c2ccccc2F)N1 ZINC000257284637 569377680 /nfs/dbraw/zinc/37/76/80/569377680.db2.gz PDOXKSAMJZNTFN-RPLLCQBOSA-N 1 0 414.524 5.131 40 0 HKABRO CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(C[NH2+]Cc3ccccc3)cc12 ZINC000257285307 569397806 /nfs/dbraw/zinc/39/78/06/569397806.db2.gz PGNVFEONVBCOTC-UHFFFAOYSA-N 1 0 404.945 5.661 40 0 HKABRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)C[N@@H+]2Cc1ccccc1 ZINC000257286869 569377638 /nfs/dbraw/zinc/37/76/38/569377638.db2.gz PNJQYGCAEAVVKK-VABKMULXSA-N 1 0 410.533 5.051 40 0 HKABRO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCC[C@H]1Oc1ccccc1Oc1cccc(Cl)c1 ZINC000257288289 569377704 /nfs/dbraw/zinc/37/77/04/569377704.db2.gz PTPSVFCJFIRPBM-NQHRYMMQSA-N 1 0 423.940 5.583 40 0 HKABRO FC(F)(F)c1ccc(Cc2ccc(C3CC[NH+](CC4CCCCC4)CC3)nc2)cc1 ZINC000257288931 569377703 /nfs/dbraw/zinc/37/77/03/569377703.db2.gz PWHHHFCVIKGSHP-UHFFFAOYSA-N 1 0 416.531 6.451 40 0 HKABRO FC(F)(F)c1cccc(Cc2ccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)nc2)c1 ZINC000257291903 569377821 /nfs/dbraw/zinc/37/78/21/569377821.db2.gz QJEPVYFFMZDZER-HSZRJFAPSA-N 1 0 424.510 6.113 40 0 HKABRO FC(F)(F)c1cccc(Cc2ccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)nc2)c1 ZINC000257291904 569377829 /nfs/dbraw/zinc/37/78/29/569377829.db2.gz QJEPVYFFMZDZER-QHCPKHFHSA-N 1 0 424.510 6.113 40 0 HKABRO CC(C)C(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCC3)CC2)C1 ZINC000257294900 569377842 /nfs/dbraw/zinc/37/78/42/569377842.db2.gz QWESQXMQBHYFMV-UHFFFAOYSA-N 1 0 412.618 5.257 40 0 HKABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257295338 569377847 /nfs/dbraw/zinc/37/78/47/569377847.db2.gz QXXXGGRBNRTNES-HSZRJFAPSA-N 1 0 424.510 6.379 40 0 HKABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257295339 569377801 /nfs/dbraw/zinc/37/78/01/569377801.db2.gz QXXXGGRBNRTNES-QHCPKHFHSA-N 1 0 424.510 6.379 40 0 HKABRO O=C(Cc1cccc(Cl)c1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000257296815 569377849 /nfs/dbraw/zinc/37/78/49/569377849.db2.gz REMVWBYMLWKFEU-ISKFKSNPSA-N 1 0 423.000 5.176 40 0 HKABRO O=C(Cc1cccc(Cl)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000257296816 569377844 /nfs/dbraw/zinc/37/78/44/569377844.db2.gz REMVWBYMLWKFEU-LADGPHEKSA-N 1 0 423.000 5.176 40 0 HKABRO O=C(Cc1cccc(Cl)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000257296817 569377834 /nfs/dbraw/zinc/37/78/34/569377834.db2.gz REMVWBYMLWKFEU-UPVQGACJSA-N 1 0 423.000 5.176 40 0 HKABRO O=C(Cc1cccc(Cl)c1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000257296818 569377838 /nfs/dbraw/zinc/37/78/38/569377838.db2.gz REMVWBYMLWKFEU-VWNXMTODSA-N 1 0 423.000 5.176 40 0 HKABRO COc1cccc([C@H]2C[C@@H]3CCN(c4ccccc4)C(=O)[C@@H]3[N@@H+]2Cc2ccccc2)c1 ZINC000257299404 569377812 /nfs/dbraw/zinc/37/78/12/569377812.db2.gz RPYJNLLWJPVBSQ-HDYLNDSGSA-N 1 0 412.533 5.064 40 0 HKABRO C[C@H](CC[N@@H+]1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299481 569377733 /nfs/dbraw/zinc/37/77/33/569377733.db2.gz RQGPYPBCJMDQSU-CTNGQTDRSA-N 1 0 409.574 5.110 40 0 HKABRO C[C@@H](CC[N@@H+]1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299482 569377767 /nfs/dbraw/zinc/37/77/67/569377767.db2.gz RQGPYPBCJMDQSU-FPOVZHCZSA-N 1 0 409.574 5.110 40 0 HKABRO C[C@@H](CC[N@@H+]1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299483 569377754 /nfs/dbraw/zinc/37/77/54/569377754.db2.gz RQGPYPBCJMDQSU-PZJWPPBQSA-N 1 0 409.574 5.110 40 0 HKABRO C[C@H](CC[N@@H+]1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299484 569377824 /nfs/dbraw/zinc/37/78/24/569377824.db2.gz RQGPYPBCJMDQSU-TZIWHRDSSA-N 1 0 409.574 5.110 40 0 HKABRO CC(C)(C)OC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000257304069 569377943 /nfs/dbraw/zinc/37/79/43/569377943.db2.gz SJYCAEIBBFHZTE-NRFANRHFSA-N 1 0 424.589 5.177 40 0 HKABRO CC(C)(C)OC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000257304070 569377990 /nfs/dbraw/zinc/37/79/90/569377990.db2.gz SJYCAEIBBFHZTE-OAQYLSRUSA-N 1 0 424.589 5.177 40 0 HKABRO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCC[C@H]1Oc1cc(F)ccc1Oc1ccccc1 ZINC000257306822 569377956 /nfs/dbraw/zinc/37/79/56/569377956.db2.gz SWCLFTSJKWEOSL-GZGNHOFSSA-N 1 0 407.485 5.069 40 0 HKABRO Cc1ccc(Oc2ccccc2O[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3)[C@H]2O)cc1 ZINC000257313375 569378081 /nfs/dbraw/zinc/37/80/81/569378081.db2.gz USCWVRZHUKATDL-DNRSQYFGSA-N 1 0 403.522 5.238 40 0 HKABRO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1CCOc1ccccc1Cl ZINC000257313555 569378035 /nfs/dbraw/zinc/37/80/35/569378035.db2.gz UTDLVDPIUXPMOS-JOCHJYFZSA-N 1 0 423.022 5.056 40 0 HKABRO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1CCOc1ccccc1Cl ZINC000257313556 569378069 /nfs/dbraw/zinc/37/80/69/569378069.db2.gz UTDLVDPIUXPMOS-QFIPXVFZSA-N 1 0 423.022 5.056 40 0 HKABRO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000257317020 569378125 /nfs/dbraw/zinc/37/81/25/569378125.db2.gz VIAISEZDPXDNRI-DNRSQYFGSA-N 1 0 403.522 5.272 40 0 HKABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257317488 569378043 /nfs/dbraw/zinc/37/80/43/569378043.db2.gz VJXYLIOVPOCFGU-UHFFFAOYSA-N 1 0 412.618 5.401 40 0 HKABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)c(C)c1C ZINC000257324841 569378145 /nfs/dbraw/zinc/37/81/45/569378145.db2.gz WQKLAFHPKKCNNM-JOCHJYFZSA-N 1 0 417.557 5.195 40 0 HKABRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)c(C)c1C ZINC000257324842 569378160 /nfs/dbraw/zinc/37/81/60/569378160.db2.gz WQKLAFHPKKCNNM-QFIPXVFZSA-N 1 0 417.557 5.195 40 0 HKABRO CC[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCC[C@@H]21 ZINC000257324879 569378156 /nfs/dbraw/zinc/37/81/56/569378156.db2.gz WQONNACJWVCRMA-LDVJMBRRSA-N 1 0 403.488 6.226 40 0 HKABRO CCC[N@@H+]1CC[C@@H]2[C@H]([C@@H](c3ccccc3)C1)N(c1ccccc1)C(=O)N2CC(C)C ZINC000257328613 569378217 /nfs/dbraw/zinc/37/82/17/569378217.db2.gz XGKOVYDLRAMZDF-SDHSZQHLSA-N 1 0 405.586 5.221 40 0 HKABRO COc1ccc(CC[N@@H+]2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)cc1 ZINC000257328738 569378151 /nfs/dbraw/zinc/37/81/51/569378151.db2.gz XGWZUZQBCPBDOP-NRFANRHFSA-N 1 0 422.519 5.381 40 0 HKABRO COc1ccc(CC[N@@H+]2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)cc1 ZINC000257328739 569378251 /nfs/dbraw/zinc/37/82/51/569378251.db2.gz XGWZUZQBCPBDOP-OAQYLSRUSA-N 1 0 422.519 5.381 40 0 HKABRO Fc1cccc(Cc2ccc([C@@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)nc2)c1 ZINC000257334808 569378254 /nfs/dbraw/zinc/37/82/54/569378254.db2.gz YHLFNRUQFSGOPK-HSZRJFAPSA-N 1 0 411.524 5.739 40 0 HKABRO Fc1cccc(Cc2ccc([C@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)nc2)c1 ZINC000257334809 569378176 /nfs/dbraw/zinc/37/81/76/569378176.db2.gz YHLFNRUQFSGOPK-QHCPKHFHSA-N 1 0 411.524 5.739 40 0 HKABRO COc1cc(C)ccc1C[NH+]1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 ZINC000257337533 569378379 /nfs/dbraw/zinc/37/83/79/569378379.db2.gz YTEKIOBUZCPBQY-UHFFFAOYSA-N 1 0 420.984 6.022 40 0 HKABRO Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000257337755 569378290 /nfs/dbraw/zinc/37/82/90/569378290.db2.gz YUFGHBNCTTUHSN-HSZRJFAPSA-N 1 0 414.446 6.167 40 0 HKABRO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000257337756 569378365 /nfs/dbraw/zinc/37/83/65/569378365.db2.gz YUFGHBNCTTUHSN-QHCPKHFHSA-N 1 0 414.446 6.167 40 0 HKABRO NC(=O)c1ccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3ccc4ncccc4c3)cn2)cc1 ZINC000257338541 569378271 /nfs/dbraw/zinc/37/82/71/569378271.db2.gz YXWWZEZXPPRGCL-AREMUKBSSA-N 1 0 422.532 5.123 40 0 HKABRO NC(=O)c1ccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccc4ncccc4c3)cn2)cc1 ZINC000257338542 569378312 /nfs/dbraw/zinc/37/83/12/569378312.db2.gz YXWWZEZXPPRGCL-SANMLTNESA-N 1 0 422.532 5.123 40 0 HKABRO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2cccc(F)c2Oc2ccccc2)[C@@H]1O ZINC000257339978 569378371 /nfs/dbraw/zinc/37/83/71/569378371.db2.gz ZDZSTXZEOQHCGR-VDKIKQQVSA-N 1 0 421.512 5.411 40 0 HKABRO CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350318 569379000 /nfs/dbraw/zinc/37/90/00/569379000.db2.gz WHZUCKVXGABTPN-QNATVPHSSA-N 1 0 413.734 7.958 40 0 HKABRO CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257350319 569378966 /nfs/dbraw/zinc/37/89/66/569378966.db2.gz WHZUCKVXGABTPN-UOCHIZNBSA-N 1 0 413.734 7.958 40 0 HKABRO CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H]([NH+](C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257350320 569378971 /nfs/dbraw/zinc/37/89/71/569378971.db2.gz WHZUCKVXGABTPN-XCPVWVGESA-N 1 0 413.734 7.958 40 0 HKABRO CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H]([NH+](C)C)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257350321 569378997 /nfs/dbraw/zinc/37/89/97/569378997.db2.gz WHZUCKVXGABTPN-YUDVVNNISA-N 1 0 413.734 7.958 40 0 HKABRO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260492704 569379552 /nfs/dbraw/zinc/37/95/52/569379552.db2.gz MQACNSIEWQLTOA-NBGIEHNGSA-N 1 0 408.586 5.444 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c2ccccc2O1 ZINC000260762376 569379872 /nfs/dbraw/zinc/37/98/72/569379872.db2.gz IHPUXPYBGSUASL-GBXCKJPGSA-N 1 0 420.597 5.731 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c2ccccc2O1 ZINC000260762380 569379844 /nfs/dbraw/zinc/37/98/44/569379844.db2.gz IHPUXPYBGSUASL-RDPSFJRHSA-N 1 0 420.597 5.731 40 0 HKABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000260764704 569379821 /nfs/dbraw/zinc/37/98/21/569379821.db2.gz LKRLKZUTVXYBTG-RBBKRZOGSA-N 1 0 414.977 5.137 40 0 HKABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000260764706 569379849 /nfs/dbraw/zinc/37/98/49/569379849.db2.gz LKRLKZUTVXYBTG-UNMCSNQZSA-N 1 0 414.977 5.137 40 0 HKABRO CCC1(CC)C[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000260810758 569380206 /nfs/dbraw/zinc/38/02/06/569380206.db2.gz JYZQIPSFXPXTNJ-NZQKXSOJSA-N 1 0 424.560 5.237 40 0 HKABRO CCC1(CC)C[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000260810766 569380266 /nfs/dbraw/zinc/38/02/66/569380266.db2.gz JYZQIPSFXPXTNJ-REWPJTCUSA-N 1 0 424.560 5.237 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260812366 569380158 /nfs/dbraw/zinc/38/01/58/569380158.db2.gz AVHIXTJSEXEUJC-HXUWFJFHSA-N 1 0 402.579 5.008 40 0 HKABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812384 569380138 /nfs/dbraw/zinc/38/01/38/569380138.db2.gz AZYIGLLFSDGIJG-HYBUGGRVSA-N 1 0 404.595 5.110 40 0 HKABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812389 569380192 /nfs/dbraw/zinc/38/01/92/569380192.db2.gz AZYIGLLFSDGIJG-YKSBVNFPSA-N 1 0 404.595 5.110 40 0 HKABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812431 569380237 /nfs/dbraw/zinc/38/02/37/569380237.db2.gz BKFREOASLTYGHN-HYBUGGRVSA-N 1 0 404.595 5.254 40 0 HKABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812435 569380196 /nfs/dbraw/zinc/38/01/96/569380196.db2.gz BKFREOASLTYGHN-YKSBVNFPSA-N 1 0 404.595 5.254 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@H](C)C4)cc3)CCCC2)c1 ZINC000260812518 569380257 /nfs/dbraw/zinc/38/02/57/569380257.db2.gz DULQQBKQBLOWDY-QFIPXVFZSA-N 1 0 420.597 5.556 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812521 569380246 /nfs/dbraw/zinc/38/02/46/569380246.db2.gz DXZVBTNARMVXHV-OFVILXPXSA-N 1 0 418.622 5.501 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812522 569380186 /nfs/dbraw/zinc/38/01/86/569380186.db2.gz DXZVBTNARMVXHV-SQJMNOBHSA-N 1 0 418.622 5.501 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@H](C)C4)cc3)CCCC2)cc1 ZINC000260812523 569380114 /nfs/dbraw/zinc/38/01/14/569380114.db2.gz FCOSGRDJCUTVMJ-QFIPXVFZSA-N 1 0 420.597 5.556 40 0 HKABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812532 569380230 /nfs/dbraw/zinc/38/02/30/569380230.db2.gz FMUMRISIXVPUSY-GBXCKJPGSA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812535 569380261 /nfs/dbraw/zinc/38/02/61/569380261.db2.gz FMUMRISIXVPUSY-RDPSFJRHSA-N 1 0 404.595 5.111 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260812596 569380242 /nfs/dbraw/zinc/38/02/42/569380242.db2.gz HMUHJAGFGCYDRA-YOOZRZFBSA-N 1 0 416.606 5.254 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260812612 569380165 /nfs/dbraw/zinc/38/01/65/569380165.db2.gz HRJQDEUSAHATLO-HXUWFJFHSA-N 1 0 402.579 5.008 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812617 569380269 /nfs/dbraw/zinc/38/02/69/569380269.db2.gz HXZRBLHJDVOPBD-BPYKYCOYSA-N 1 0 416.606 5.111 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812622 569380252 /nfs/dbraw/zinc/38/02/52/569380252.db2.gz HXZRBLHJDVOPBD-STWLZBDKSA-N 1 0 416.606 5.111 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260812625 569380200 /nfs/dbraw/zinc/38/02/00/569380200.db2.gz HXZRBLHJDVOPBD-TYBLODHISA-N 1 0 416.606 5.111 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814459 569380122 /nfs/dbraw/zinc/38/01/22/569380122.db2.gz IOWJIHRAIYEEDN-BPYKYCOYSA-N 1 0 416.606 5.111 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814460 569380255 /nfs/dbraw/zinc/38/02/55/569380255.db2.gz IOWJIHRAIYEEDN-STWLZBDKSA-N 1 0 416.606 5.111 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260814461 569380148 /nfs/dbraw/zinc/38/01/48/569380148.db2.gz IOWJIHRAIYEEDN-TYBLODHISA-N 1 0 416.606 5.111 40 0 HKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814496 569380179 /nfs/dbraw/zinc/38/01/79/569380179.db2.gz JQOISLWDRAJYCC-OAQYLSRUSA-N 1 0 418.622 5.356 40 0 HKABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814507 569380119 /nfs/dbraw/zinc/38/01/19/569380119.db2.gz KAMVYTHOCWZQRY-GBXCKJPGSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814510 569380152 /nfs/dbraw/zinc/38/01/52/569380152.db2.gz KAMVYTHOCWZQRY-RDPSFJRHSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260814526 569380142 /nfs/dbraw/zinc/38/01/42/569380142.db2.gz KIZABORJMJDYAW-BPYKYCOYSA-N 1 0 416.606 5.254 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260814532 569380263 /nfs/dbraw/zinc/38/02/63/569380263.db2.gz KIZABORJMJDYAW-DNRQZRRGSA-N 1 0 416.606 5.254 40 0 HKABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260814536 569380227 /nfs/dbraw/zinc/38/02/27/569380227.db2.gz KIZABORJMJDYAW-STWLZBDKSA-N 1 0 416.606 5.254 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260814539 569380127 /nfs/dbraw/zinc/38/01/27/569380127.db2.gz KKFNYMWOAOVDKT-YOOZRZFBSA-N 1 0 416.606 5.254 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814610 569380130 /nfs/dbraw/zinc/38/01/30/569380130.db2.gz LKZSARKEWIKOOG-BWKNWUBXSA-N 1 0 418.622 5.644 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814617 569380213 /nfs/dbraw/zinc/38/02/13/569380213.db2.gz LKZSARKEWIKOOG-PXDATVDWSA-N 1 0 418.622 5.644 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260814630 569380134 /nfs/dbraw/zinc/38/01/34/569380134.db2.gz LQFSJUQKGAKSJR-NRFANRHFSA-N 1 0 416.606 5.255 40 0 HKABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814641 569380259 /nfs/dbraw/zinc/38/02/59/569380259.db2.gz LXMSGLSANCIWIF-HYBUGGRVSA-N 1 0 404.595 5.254 40 0 HKABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814646 569380219 /nfs/dbraw/zinc/38/02/19/569380219.db2.gz LXMSGLSANCIWIF-YKSBVNFPSA-N 1 0 404.595 5.254 40 0 HKABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260814653 569380176 /nfs/dbraw/zinc/38/01/76/569380176.db2.gz MAUBXGBFAZVBJD-HXUWFJFHSA-N 1 0 402.579 5.008 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260814668 569380168 /nfs/dbraw/zinc/38/01/68/569380168.db2.gz MESYLMDKPRJZFP-OAQYLSRUSA-N 1 0 416.606 5.398 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260814702 569380420 /nfs/dbraw/zinc/38/04/20/569380420.db2.gz MLMODSNKIRNXCC-WATLYSKOSA-N 1 0 418.622 5.357 40 0 HKABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816723 569380372 /nfs/dbraw/zinc/38/03/72/569380372.db2.gz OIWNDTWEBBBVDP-HYBUGGRVSA-N 1 0 404.595 5.254 40 0 HKABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816724 569380275 /nfs/dbraw/zinc/38/02/75/569380275.db2.gz OIWNDTWEBBBVDP-YKSBVNFPSA-N 1 0 404.595 5.254 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260816727 569380293 /nfs/dbraw/zinc/38/02/93/569380293.db2.gz OSEDLCMJMAFEEX-OAQYLSRUSA-N 1 0 416.606 5.398 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260816728 569380308 /nfs/dbraw/zinc/38/03/08/569380308.db2.gz OUSMVEHFTWLTHX-HXUWFJFHSA-N 1 0 402.579 5.008 40 0 HKABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816742 569380398 /nfs/dbraw/zinc/38/03/98/569380398.db2.gz PMABKURIJQUDRM-GBXCKJPGSA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816744 569380368 /nfs/dbraw/zinc/38/03/68/569380368.db2.gz PMABKURIJQUDRM-RDPSFJRHSA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816760 569380291 /nfs/dbraw/zinc/38/02/91/569380291.db2.gz PTUWNONDOSOZEY-HYBUGGRVSA-N 1 0 404.595 5.254 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816764 569380382 /nfs/dbraw/zinc/38/03/82/569380382.db2.gz PTUWNONDOSOZEY-YKSBVNFPSA-N 1 0 404.595 5.254 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260816768 569380436 /nfs/dbraw/zinc/38/04/36/569380436.db2.gz PXJHODXPTRCRNN-HXUWFJFHSA-N 1 0 402.579 5.008 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260816807 569380279 /nfs/dbraw/zinc/38/02/79/569380279.db2.gz QMSZOYJHAHQGAX-NRFANRHFSA-N 1 0 416.606 5.255 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260816811 569380349 /nfs/dbraw/zinc/38/03/49/569380349.db2.gz QQAIJZWRFPQGSN-BPYKYCOYSA-N 1 0 416.606 5.254 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260816815 569380337 /nfs/dbraw/zinc/38/03/37/569380337.db2.gz QQAIJZWRFPQGSN-DNRQZRRGSA-N 1 0 416.606 5.254 40 0 HKABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260816818 569380402 /nfs/dbraw/zinc/38/04/02/569380402.db2.gz QQAIJZWRFPQGSN-STWLZBDKSA-N 1 0 416.606 5.254 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260816832 569380422 /nfs/dbraw/zinc/38/04/22/569380422.db2.gz QYVDIFAKPIWDKW-WATLYSKOSA-N 1 0 418.622 5.357 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816851 569380298 /nfs/dbraw/zinc/38/02/98/569380298.db2.gz RESNLXHLNWNLGN-HYBUGGRVSA-N 1 0 404.595 5.110 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816855 569380424 /nfs/dbraw/zinc/38/04/24/569380424.db2.gz RESNLXHLNWNLGN-YKSBVNFPSA-N 1 0 404.595 5.110 40 0 HKABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@H]4C)cc3)CCCC2)c1 ZINC000260816865 569380434 /nfs/dbraw/zinc/38/04/34/569380434.db2.gz RICRTEYNGYTFLJ-JOCHJYFZSA-N 1 0 420.597 5.699 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816869 569380416 /nfs/dbraw/zinc/38/04/16/569380416.db2.gz RKNOXLGCMMAZAD-BWKNWUBXSA-N 1 0 418.622 5.500 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816873 569380391 /nfs/dbraw/zinc/38/03/91/569380391.db2.gz RKNOXLGCMMAZAD-PXDATVDWSA-N 1 0 418.622 5.500 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816911 569380304 /nfs/dbraw/zinc/38/03/04/569380304.db2.gz SADJLLNGLYXYGC-BWKNWUBXSA-N 1 0 418.622 5.644 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816915 569380374 /nfs/dbraw/zinc/38/03/74/569380374.db2.gz SADJLLNGLYXYGC-PXDATVDWSA-N 1 0 418.622 5.644 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816946 569380334 /nfs/dbraw/zinc/38/03/34/569380334.db2.gz SLESWSKNIAROBD-HYBUGGRVSA-N 1 0 404.595 5.254 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816951 569380406 /nfs/dbraw/zinc/38/04/06/569380406.db2.gz SLESWSKNIAROBD-YKSBVNFPSA-N 1 0 404.595 5.254 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260816990 569380283 /nfs/dbraw/zinc/38/02/83/569380283.db2.gz TZYVWCFXTXHMEU-OAQYLSRUSA-N 1 0 416.606 5.398 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816994 569380394 /nfs/dbraw/zinc/38/03/94/569380394.db2.gz UDSSAGQUWUAAQZ-BWKNWUBXSA-N 1 0 418.622 5.644 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816997 569380327 /nfs/dbraw/zinc/38/03/27/569380327.db2.gz UDSSAGQUWUAAQZ-PXDATVDWSA-N 1 0 418.622 5.644 40 0 HKABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260817003 569380428 /nfs/dbraw/zinc/38/04/28/569380428.db2.gz UEOLEYFTAPESDU-NRFANRHFSA-N 1 0 418.622 5.213 40 0 HKABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260817006 569380438 /nfs/dbraw/zinc/38/04/38/569380438.db2.gz UKIHROCSYJEUPP-JQJXBVGUSA-N 1 0 416.606 5.111 40 0 HKABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260817010 569380316 /nfs/dbraw/zinc/38/03/16/569380316.db2.gz UKOKJOCKLRONSK-GBXCKJPGSA-N 1 0 404.595 5.111 40 0 HKABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260817015 569380409 /nfs/dbraw/zinc/38/04/09/569380409.db2.gz UKOKJOCKLRONSK-RDPSFJRHSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260817027 569380378 /nfs/dbraw/zinc/38/03/78/569380378.db2.gz UMKUXPGPQHRTGM-OFVILXPXSA-N 1 0 418.622 5.357 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260817031 569380341 /nfs/dbraw/zinc/38/03/41/569380341.db2.gz UMKUXPGPQHRTGM-SQJMNOBHSA-N 1 0 418.622 5.357 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260817047 569380365 /nfs/dbraw/zinc/38/03/65/569380365.db2.gz VPWMWOZJYURSRM-GBXCKJPGSA-N 1 0 404.595 5.111 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260817049 569380287 /nfs/dbraw/zinc/38/02/87/569380287.db2.gz VPWMWOZJYURSRM-RDPSFJRHSA-N 1 0 404.595 5.111 40 0 HKABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260818161 569380344 /nfs/dbraw/zinc/38/03/44/569380344.db2.gz WBKAZQBLMDNYLQ-STWLZBDKSA-N 1 0 418.622 5.213 40 0 HKABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818175 569380312 /nfs/dbraw/zinc/38/03/12/569380312.db2.gz WQTXITUSWDIYKN-OFVILXPXSA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818178 569380361 /nfs/dbraw/zinc/38/03/61/569380361.db2.gz WQTXITUSWDIYKN-SQJMNOBHSA-N 1 0 418.622 5.501 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCC1 ZINC000260818196 569380323 /nfs/dbraw/zinc/38/03/23/569380323.db2.gz XJLXJMRJSUAKJQ-NRFANRHFSA-N 1 0 416.606 5.255 40 0 HKABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@H]4C)cc3)CCCC2)cc1 ZINC000260818219 569380352 /nfs/dbraw/zinc/38/03/52/569380352.db2.gz YAKHYHIUPBYSOY-JOCHJYFZSA-N 1 0 420.597 5.699 40 0 HKABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818232 569380320 /nfs/dbraw/zinc/38/03/20/569380320.db2.gz YJSYRUXMQKOADK-OFVILXPXSA-N 1 0 418.622 5.501 40 0 HKABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818233 569380386 /nfs/dbraw/zinc/38/03/86/569380386.db2.gz YJSYRUXMQKOADK-SQJMNOBHSA-N 1 0 418.622 5.501 40 0 HKABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260818243 569380357 /nfs/dbraw/zinc/38/03/57/569380357.db2.gz ZXVQFDSPLULYNX-JQJXBVGUSA-N 1 0 416.606 5.111 40 0 HKABRO CC(C)n1c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc2sc1=O ZINC000260902598 569380472 /nfs/dbraw/zinc/38/04/72/569380472.db2.gz SWDPZUODZXAHQL-KRWDZBQOSA-N 1 0 423.582 5.128 40 0 HKABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260917316 569380493 /nfs/dbraw/zinc/38/04/93/569380493.db2.gz CYOSFXFDJUIMNR-JPYJTQIMSA-N 1 0 410.989 5.308 40 0 HKABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260917320 569380522 /nfs/dbraw/zinc/38/05/22/569380522.db2.gz CYOSFXFDJUIMNR-MBSDFSHPSA-N 1 0 410.989 5.308 40 0 HKABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260924524 569380560 /nfs/dbraw/zinc/38/05/60/569380560.db2.gz IFNYCQWQHPRAOO-UKILVPOCSA-N 1 0 408.561 5.184 40 0 HKABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260924526 569380595 /nfs/dbraw/zinc/38/05/95/569380595.db2.gz IFNYCQWQHPRAOO-ZCYQVOJMSA-N 1 0 408.561 5.184 40 0 HKABRO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1C(C)C ZINC000260941214 569380456 /nfs/dbraw/zinc/38/04/56/569380456.db2.gz RRSWGAIHAOTNGJ-FPOVZHCZSA-N 1 0 422.613 5.850 40 0 HKABRO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1C(C)C ZINC000260941216 569380518 /nfs/dbraw/zinc/38/05/18/569380518.db2.gz RRSWGAIHAOTNGJ-PZJWPPBQSA-N 1 0 422.613 5.850 40 0 HKABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000260951624 569380478 /nfs/dbraw/zinc/38/04/78/569380478.db2.gz YRIHJJINHCOHCJ-FNZWTVRRSA-N 1 0 404.598 5.678 40 0 HKABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000260951628 569380468 /nfs/dbraw/zinc/38/04/68/569380468.db2.gz YRIHJJINHCOHCJ-RXFWQSSRSA-N 1 0 404.598 5.678 40 0 HKABRO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NC2CCCC2)[nH+]1 ZINC000328962561 569384335 /nfs/dbraw/zinc/38/43/35/569384335.db2.gz BIXRBQUBUSHIJF-UHFFFAOYSA-N 1 0 420.479 5.416 40 0 HKABRO CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C(C)C)[nH+]1 ZINC000328972607 569384343 /nfs/dbraw/zinc/38/43/43/569384343.db2.gz DVTSJSKUKFBZTA-AWEZNQCLSA-N 1 0 408.468 5.272 40 0 HKABRO CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C(C)C)[nH+]1 ZINC000328972608 569384437 /nfs/dbraw/zinc/38/44/37/569384437.db2.gz DVTSJSKUKFBZTA-CQSZACIVSA-N 1 0 408.468 5.272 40 0 HKABRO CC(C)c1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000328973639 569384378 /nfs/dbraw/zinc/38/43/78/569384378.db2.gz FBVSCUXXLLAQIZ-UHFFFAOYSA-N 1 0 408.590 5.135 40 0 HKABRO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(NC2CCCC2)[nH+]1 ZINC000328977367 569384531 /nfs/dbraw/zinc/38/45/31/569384531.db2.gz FTNOBMMCTRTVSS-UHFFFAOYSA-N 1 0 415.379 5.280 40 0 HKABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328988200 569384602 /nfs/dbraw/zinc/38/46/02/569384602.db2.gz IELYRNFTPPXEHO-UHFFFAOYSA-N 1 0 415.379 5.109 40 0 HKABRO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000328994453 569384510 /nfs/dbraw/zinc/38/45/10/569384510.db2.gz JEAKVGQPETUQRI-UHFFFAOYSA-N 1 0 420.479 5.416 40 0 HKABRO CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329008082 569384734 /nfs/dbraw/zinc/38/47/34/569384734.db2.gz LOPSAHINJBDMBL-AWEZNQCLSA-N 1 0 403.368 5.136 40 0 HKABRO CC[C@@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329008083 569384751 /nfs/dbraw/zinc/38/47/51/569384751.db2.gz LOPSAHINJBDMBL-CQSZACIVSA-N 1 0 403.368 5.136 40 0 HKABRO Cc1cc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)ccc1C(C)C ZINC000329021232 571307593 /nfs/dbraw/zinc/30/75/93/571307593.db2.gz OFDUBRHHERLDSX-UHFFFAOYSA-N 1 0 403.574 5.683 40 0 HKABRO CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329023997 569384669 /nfs/dbraw/zinc/38/46/69/569384669.db2.gz OXWKAHTUEAUNRT-UHFFFAOYSA-N 1 0 420.479 5.245 40 0 HKABRO CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329026549 569384650 /nfs/dbraw/zinc/38/46/50/569384650.db2.gz PMWHPDOXEQEHNU-UHFFFAOYSA-N 1 0 420.479 5.245 40 0 HKABRO CC(C)c1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000329032788 569384626 /nfs/dbraw/zinc/38/46/26/569384626.db2.gz QPYLKSNQOXSCHZ-UHFFFAOYSA-N 1 0 416.569 5.002 40 0 HKABRO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329043639 569384888 /nfs/dbraw/zinc/38/48/88/569384888.db2.gz STAMKCBQKQVAKE-UHFFFAOYSA-N 1 0 415.379 5.280 40 0 HKABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329045577 569384874 /nfs/dbraw/zinc/38/48/74/569384874.db2.gz TXAOOGOMTSAHRX-UHFFFAOYSA-N 1 0 415.379 5.109 40 0 HKABRO CC[C@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C(C)C)[nH+]1 ZINC000329056128 569384857 /nfs/dbraw/zinc/38/48/57/569384857.db2.gz VRKNOVUOWPGPPD-AWEZNQCLSA-N 1 0 403.368 5.136 40 0 HKABRO CC[C@@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C(C)C)[nH+]1 ZINC000329056129 569384880 /nfs/dbraw/zinc/38/48/80/569384880.db2.gz VRKNOVUOWPGPPD-CQSZACIVSA-N 1 0 403.368 5.136 40 0 HKABRO CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329064390 569384966 /nfs/dbraw/zinc/38/49/66/569384966.db2.gz XJSMQFFNVCNPAI-AWEZNQCLSA-N 1 0 408.468 5.272 40 0 HKABRO CC[C@@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329064393 569385032 /nfs/dbraw/zinc/38/50/32/569385032.db2.gz XJSMQFFNVCNPAI-CQSZACIVSA-N 1 0 408.468 5.272 40 0 HKABRO CC(C)Oc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000408575616 557479140 /nfs/dbraw/zinc/47/91/40/557479140.db2.gz OCUJECNOHQKJIN-UHFFFAOYSA-N 1 0 400.522 5.284 40 0 HKABRO CC(C)Oc1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000408577241 558514840 /nfs/dbraw/zinc/51/48/40/558514840.db2.gz XKZVEXFIZTWFOO-UHFFFAOYSA-N 1 0 400.522 5.284 40 0 HKABRO O=C(Nc1c(Cl)cccc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000408580569 558516043 /nfs/dbraw/zinc/51/60/43/558516043.db2.gz RHHGYSXIVJRFMN-UHFFFAOYSA-N 1 0 411.332 5.804 40 0 HKABRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000408580578 557485226 /nfs/dbraw/zinc/48/52/26/557485226.db2.gz CPJPQOQOCALOLI-UHFFFAOYSA-N 1 0 420.619 5.448 40 0 HKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000408581148 558516039 /nfs/dbraw/zinc/51/60/39/558516039.db2.gz GSCSVEQLABMJGV-UHFFFAOYSA-N 1 0 420.622 6.783 40 0 HKABRO COC(=O)c1ccc(Cl)c(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)c1 ZINC000408582021 558516328 /nfs/dbraw/zinc/51/63/28/558516328.db2.gz LDIVRKGXNALVAO-UHFFFAOYSA-N 1 0 406.954 5.033 40 0 HKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408582340 558516293 /nfs/dbraw/zinc/51/62/93/558516293.db2.gz NAXVMQGGYFUAQT-UHFFFAOYSA-N 1 0 416.915 6.265 40 0 HKABRO O=C(N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000408602994 558538653 /nfs/dbraw/zinc/53/86/53/558538653.db2.gz ACLJDCNKNCMNJP-UHFFFAOYSA-N 1 0 406.614 5.108 40 0 HKABRO O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408603243 557523643 /nfs/dbraw/zinc/52/36/43/557523643.db2.gz BQUYAWRWDYZBFD-UHFFFAOYSA-N 1 0 424.588 5.872 40 0 HKABRO CCCCOc1ccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000408608158 557531984 /nfs/dbraw/zinc/53/19/84/557531984.db2.gz MUBKDVNMIQKQSN-UHFFFAOYSA-N 1 0 420.597 5.384 40 0 HKABRO CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000408609171 557532414 /nfs/dbraw/zinc/53/24/14/557532414.db2.gz OLLSMMXLCXXOEI-UHFFFAOYSA-N 1 0 404.598 5.503 40 0 HKABRO O=C(c1ccc(Cl)cc1Cl)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408609915 557533294 /nfs/dbraw/zinc/53/32/94/557533294.db2.gz PKSKJSHSURJTQG-UHFFFAOYSA-N 1 0 417.380 5.512 40 0 HKABRO O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408612491 557530444 /nfs/dbraw/zinc/53/04/44/557530444.db2.gz WFHDDWCOJKGGQK-UHFFFAOYSA-N 1 0 424.588 5.872 40 0 HKABRO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000408725053 558587593 /nfs/dbraw/zinc/58/75/93/558587593.db2.gz IQFVJLLVDWVSDW-GZTJUZNOSA-N 1 0 415.386 5.889 40 0 HKABRO CN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408774973 560639478 /nfs/dbraw/zinc/63/94/78/560639478.db2.gz DVJWTUISSLLJLO-UHFFFAOYSA-N 1 0 412.577 5.414 40 0 HKABRO Clc1ccc(NC([NH2+]C2CCCCC2)=C(c2ccccc2)c2ccccc2)cc1 ZINC000408822731 560645233 /nfs/dbraw/zinc/64/52/33/560645233.db2.gz UUKAOYXLLZENGA-UHFFFAOYSA-N 1 0 402.969 7.091 40 0 HKABRO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408830299 558663973 /nfs/dbraw/zinc/66/39/73/558663973.db2.gz MAMXDGKMJHGJAR-UHFFFAOYSA-N 1 0 419.956 5.223 40 0 HKABRO Cc1c(Cl)cccc1NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408875248 558707196 /nfs/dbraw/zinc/70/71/96/558707196.db2.gz ICOFTFSTXIYEEP-UHFFFAOYSA-N 1 0 419.956 5.223 40 0 HKABRO C=C1[NH+]=C(SCc2ccc(Cl)cc2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408988178 560661972 /nfs/dbraw/zinc/66/19/72/560661972.db2.gz HKDNRIFYSJAWHI-IBGZPJMESA-N 1 0 400.931 5.111 40 0 HKABRO C=C1[NH+]=C(SCc2ccc(Cl)cc2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408988180 560661950 /nfs/dbraw/zinc/66/19/50/560661950.db2.gz HKDNRIFYSJAWHI-LJQANCHMSA-N 1 0 400.931 5.111 40 0 HKABRO C=C1[NH+]=C(SCc2cccc3ccccc32)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408992282 558852073 /nfs/dbraw/zinc/85/20/73/558852073.db2.gz SSSCBFBQAFUROU-HSZRJFAPSA-N 1 0 416.546 5.611 40 0 HKABRO C=C1[NH+]=C(SCc2cccc3ccccc32)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408992284 558852029 /nfs/dbraw/zinc/85/20/29/558852029.db2.gz SSSCBFBQAFUROU-QHCPKHFHSA-N 1 0 416.546 5.611 40 0 HKABRO Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409146278 560684671 /nfs/dbraw/zinc/68/46/71/560684671.db2.gz SHLLWOBGQRMRJS-CJLVFECKSA-N 1 0 417.534 5.158 40 0 HKABRO Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409192471 559015076 /nfs/dbraw/zinc/01/50/76/559015076.db2.gz DATHXEZKUGZQIE-XDHOZWIPSA-N 1 0 409.898 5.383 40 0 HKABRO Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409202237 560693263 /nfs/dbraw/zinc/69/32/63/560693263.db2.gz QQCPLJAPNCOGDU-YBFXNURJSA-N 1 0 409.898 5.383 40 0 HKABRO Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409230898 559036347 /nfs/dbraw/zinc/03/63/47/559036347.db2.gz HDWWGJQWVYRBOT-UDWIEESQSA-N 1 0 423.925 5.379 40 0 HKABRO C[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000584566806 560880048 /nfs/dbraw/zinc/88/00/48/560880048.db2.gz KWVISVAMQJWJSZ-DWJZITEYSA-N 1 0 413.646 5.287 40 0 HKABRO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@@H+](Cc2ccc(C(C)C)cc2)CC3)cc1 ZINC000585100020 569029864 /nfs/dbraw/zinc/02/98/64/569029864.db2.gz CKSKXLCMPDZMRE-HHHXNRCGSA-N 1 0 404.598 5.666 40 0 HKABRO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@@H+](Cc2ccc(C(C)C)cc2)CC3)cc1 ZINC000585100021 559023726 /nfs/dbraw/zinc/02/37/26/559023726.db2.gz CKSKXLCMPDZMRE-MHZLTWQESA-N 1 0 404.598 5.666 40 0 HKABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)cc1 ZINC000585100096 569029819 /nfs/dbraw/zinc/02/98/19/569029819.db2.gz FSMUSEATWBGJPP-AREMUKBSSA-N 1 0 408.561 5.496 40 0 HKABRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)cc1 ZINC000585100097 569029828 /nfs/dbraw/zinc/02/98/28/569029828.db2.gz FSMUSEATWBGJPP-SANMLTNESA-N 1 0 408.561 5.496 40 0 HKABRO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100408 569029869 /nfs/dbraw/zinc/02/98/69/569029869.db2.gz QZCHTGIBWSQTFR-HSZRJFAPSA-N 1 0 418.915 5.279 40 0 HKABRO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100409 569029815 /nfs/dbraw/zinc/02/98/15/569029815.db2.gz QZCHTGIBWSQTFR-QHCPKHFHSA-N 1 0 418.915 5.279 40 0 HKABRO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100430 569029855 /nfs/dbraw/zinc/02/98/55/569029855.db2.gz WSVHWELGLWQAAV-HSZRJFAPSA-N 1 0 418.915 5.279 40 0 HKABRO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100431 569029873 /nfs/dbraw/zinc/02/98/73/569029873.db2.gz WSVHWELGLWQAAV-QHCPKHFHSA-N 1 0 418.915 5.279 40 0 HKABRO Cc1cc(C)nc(NC2CC3(C2)CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC3)n1 ZINC000585103183 569029860 /nfs/dbraw/zinc/02/98/60/569029860.db2.gz LVTYJTZXCUFHEY-UHFFFAOYSA-N 1 0 422.470 5.108 40 0 HKABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4ccc(C(C)C)cc4)C[C@@H]32)o1 ZINC000585109720 569029822 /nfs/dbraw/zinc/02/98/22/569029822.db2.gz LKMMSCCEJCIKFO-KYPHJKQUSA-N 1 0 414.549 5.412 40 0 HKABRO CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CC[NH+](CC2CC2)CC1 ZINC000585166464 569029889 /nfs/dbraw/zinc/02/98/89/569029889.db2.gz JZBNJOCWXDYZBI-UHFFFAOYSA-N 1 0 408.561 5.052 40 0 HKABRO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1N(Cc1ccccc1)Cc1ccccc1Cl ZINC000585261192 569030054 /nfs/dbraw/zinc/03/00/54/569030054.db2.gz BTGRSLFUNMPQFJ-TWJOJJKGSA-N 1 0 420.984 5.024 40 0 HKABRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000585262227 569030042 /nfs/dbraw/zinc/03/00/42/569030042.db2.gz KKDDRZSHFSMTBH-RPLLCQBOSA-N 1 0 413.565 5.190 40 0 HKABRO Cc1cnc(Nc2cccc(C3CC[NH+](Cc4cccc5ncccc45)CC3)n2)s1 ZINC000585262528 569030011 /nfs/dbraw/zinc/03/00/11/569030011.db2.gz CZLYFKQYDRLWPA-UHFFFAOYSA-N 1 0 415.566 5.518 40 0 HKABRO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCC[C@H]1Oc1ccccc1Oc1cccc(F)c1 ZINC000585263199 569029982 /nfs/dbraw/zinc/02/99/82/569029982.db2.gz JWFNDCDUTBUVMH-NQHRYMMQSA-N 1 0 407.485 5.069 40 0 HKABRO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCC[C@H]1Oc1cccc(F)c1Oc1ccccc1 ZINC000585263206 569030049 /nfs/dbraw/zinc/03/00/49/569030049.db2.gz MVROIDVSMCFROA-CQOQZXRMSA-N 1 0 407.485 5.069 40 0 HKABRO C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2cccc(F)c2)[C@@H]1O ZINC000585263278 569030012 /nfs/dbraw/zinc/03/00/12/569030012.db2.gz UNGSXMLPRAFONJ-DNRSQYFGSA-N 1 0 421.512 5.411 40 0 HKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585270742 569030243 /nfs/dbraw/zinc/03/02/43/569030243.db2.gz PURJQGPTTFWIIX-UHFFFAOYSA-N 1 0 419.352 5.535 40 0 HKABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000585270972 569030241 /nfs/dbraw/zinc/03/02/41/569030241.db2.gz DBJIDIHZRCBUDW-DEOSSOPVSA-N 1 0 401.978 5.568 40 0 HKABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000585270974 569030260 /nfs/dbraw/zinc/03/02/60/569030260.db2.gz DBJIDIHZRCBUDW-XMMPIXPASA-N 1 0 401.978 5.568 40 0 HKABRO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271153 569030200 /nfs/dbraw/zinc/03/02/00/569030200.db2.gz SCFNIKPWFNSFDL-JOCHJYFZSA-N 1 0 419.352 5.271 40 0 HKABRO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271154 569030193 /nfs/dbraw/zinc/03/01/93/569030193.db2.gz SCFNIKPWFNSFDL-QFIPXVFZSA-N 1 0 419.352 5.271 40 0 HKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](C2CCC(C)(C)CC2)CC1 ZINC000585281517 569030264 /nfs/dbraw/zinc/03/02/64/569030264.db2.gz KVGKHPHTHTUCAJ-UHFFFAOYSA-N 1 0 400.390 5.822 40 0 HKABRO COC1(COc2cccc(Cl)c2)CC[NH+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CC1 ZINC000585285080 559121395 /nfs/dbraw/zinc/12/13/95/559121395.db2.gz CEFGSMKTMYYGEZ-OKDJAKQTSA-N 1 0 424.025 5.167 40 0 HKABRO CC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2Cl)[C@@H]1Cc1cccc(Cl)c1 ZINC000585285435 569030282 /nfs/dbraw/zinc/03/02/82/569030282.db2.gz JTAPWMXCUTVPSR-VXKWHMMOSA-N 1 0 405.369 5.014 40 0 HKABRO COC1(COc2ccc(C)cc2C)CC[NH+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CC1 ZINC000585287834 569030249 /nfs/dbraw/zinc/03/02/49/569030249.db2.gz SXQIDWCGTCXODR-WZJNIGMMSA-N 1 0 417.634 5.131 40 0 HKABRO CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCC[NH+](C)C)cc1 ZINC000585292444 569030231 /nfs/dbraw/zinc/03/02/31/569030231.db2.gz MJKYUSOVPCLFTA-OYDLWJJNSA-N 1 0 401.978 5.798 40 0 HKABRO CC(C)[C@@H]1C[C@H](c2cccc(Cl)c2)CO[C@H]1c1ccc(OCC[NH+](C)C)cc1 ZINC000585292537 569030262 /nfs/dbraw/zinc/03/02/62/569030262.db2.gz OGGQBFJGWXVYFU-OYDLWJJNSA-N 1 0 401.978 5.798 40 0 HKABRO CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCCC[NH+](C)C)cc1 ZINC000585292691 569030280 /nfs/dbraw/zinc/03/02/80/569030280.db2.gz QYGPCQJRSLLBNV-TUSQITKMSA-N 1 0 416.005 6.188 40 0 HKABRO Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)c2)n1 ZINC000585292732 569030270 /nfs/dbraw/zinc/03/02/70/569030270.db2.gz RYIPYPJVUNXBJX-DGXIYAMASA-N 1 0 412.537 5.256 40 0 HKABRO Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)c2)n1 ZINC000585292733 569030237 /nfs/dbraw/zinc/03/02/37/569030237.db2.gz RYIPYPJVUNXBJX-TWLJRWAQSA-N 1 0 412.537 5.256 40 0 HKABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)[nH+]1 ZINC000585293186 569030255 /nfs/dbraw/zinc/03/02/55/569030255.db2.gz RVJDNPCKCGFJQZ-CHHLAKQQSA-N 1 0 412.537 5.256 40 0 HKABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)[nH+]1 ZINC000585293187 569030289 /nfs/dbraw/zinc/03/02/89/569030289.db2.gz RVJDNPCKCGFJQZ-GNNUASRNSA-N 1 0 412.537 5.256 40 0 HKABRO