smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CC2=C(C[C@H]1[C@@H]1OC[C@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000004005771 210098596 /nfs/dbraw/zinc/09/85/96/210098596.db2.gz GWNYATQURCVOGA-XFIJJGBISA-N 1 0 347.543 4.767 40 0 EJABRO CC(C)[NH+](C[C@H](c1ccccc1)[C@](C)(O)c1ccccc1)C(C)C ZINC000001670730 209779731 /nfs/dbraw/zinc/77/97/31/209779731.db2.gz PKBJERGOXGFAOR-FGZHOGPDSA-N 1 0 325.496 4.797 40 0 EJABRO CC[NH+](CC)C[C@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000001628145 209769661 /nfs/dbraw/zinc/76/96/61/209769661.db2.gz COKMQJYIYARAML-XJDXJNMNSA-N 1 0 329.871 4.886 40 0 EJABRO C=Cn1cc(C[NH+]2CCC(c3cc4c(C)cccc4cn3)CC2)c(C)n1 ZINC000019236696 202001753 /nfs/dbraw/zinc/00/17/53/202001753.db2.gz BAXWCGGJXYOKAU-UHFFFAOYSA-N 1 0 346.478 4.528 40 0 EJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)C1 ZINC000038833791 213228899 /nfs/dbraw/zinc/22/88/99/213228899.db2.gz HICJEOXRMIMZOQ-OAHLLOKOSA-N 1 0 342.870 4.824 40 0 EJABRO O[C@H](c1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000031923891 202212910 /nfs/dbraw/zinc/21/29/10/202212910.db2.gz ZRLBPOAWKPNOPZ-XZOQPEGZSA-N 1 0 329.443 4.520 40 0 EJABRO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000035446680 213028740 /nfs/dbraw/zinc/02/87/40/213028740.db2.gz QHKQYFIJBOOTJW-LBPRGKRZSA-N 1 0 337.389 4.704 40 0 biogenic,in-vitro EJABRO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000072358332 216165580 /nfs/dbraw/zinc/16/55/80/216165580.db2.gz WARDIGCXGGAHAL-QGZVFWFLSA-N 1 0 339.458 4.795 40 0 EJABRO Fc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072357678 216163427 /nfs/dbraw/zinc/16/34/27/216163427.db2.gz ZGFRJZOABJARIB-JOCHJYFZSA-N 1 0 347.437 4.544 40 0 EJABRO COc1ccc([C@@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393731 216192573 /nfs/dbraw/zinc/19/25/73/216192573.db2.gz SRVDLGNPZROZRJ-OAHLLOKOSA-N 1 0 337.467 4.888 40 0 EJABRO CCC[C@@](O)(c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000027241985 212550670 /nfs/dbraw/zinc/55/06/70/212550670.db2.gz FZFRYOBRYWNHTG-XZOQPEGZSA-N 1 0 337.507 4.944 40 0 EJABRO CC[NH+](CC)CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022076524 212276893 /nfs/dbraw/zinc/27/68/93/212276893.db2.gz IPIKJQNIAVTUPQ-UHFFFAOYSA-N 1 0 341.282 4.685 40 0 EJABRO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000215937978 241157413 /nfs/dbraw/zinc/15/74/13/241157413.db2.gz VOQPZMDYLYAFEW-QZTJIDSGSA-N 1 0 348.490 4.510 40 0 EJABRO CCC[n+]1cc(Br)cc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000226774878 242115749 /nfs/dbraw/zinc/11/57/49/242115749.db2.gz WBNSOMBKVMZTFQ-UHFFFAOYSA-N 1 0 346.248 4.572 40 0 EJABRO Fc1ccccc1C[n+]1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226308017 242096718 /nfs/dbraw/zinc/09/67/18/242096718.db2.gz AIBMGJAYOKJWHI-UHFFFAOYSA-N 1 0 339.777 4.623 40 0 EJABRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000230018707 242225014 /nfs/dbraw/zinc/22/50/14/242225014.db2.gz WPSGCUBUKCRVEC-KZNAEPCWSA-N 1 0 336.479 4.659 40 0 EJABRO CCO[C@@H](C[NH+](CC)CC)c1ccc(CCc2ccccc2)cc1 ZINC000006382420 201680972 /nfs/dbraw/zinc/68/09/72/201680972.db2.gz LNHBDBUKNFBEPP-QFIPXVFZSA-N 1 0 325.496 4.891 40 0 EJABRO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1C ZINC000020493044 212139232 /nfs/dbraw/zinc/13/92/32/212139232.db2.gz MHPARQMMZMRWSC-INIZCTEOSA-N 1 0 336.479 4.788 40 0 EJABRO Fc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000072358348 203205601 /nfs/dbraw/zinc/20/56/01/203205601.db2.gz HLQZGTYIAFFION-IBGZPJMESA-N 1 0 347.437 4.662 40 0 EJABRO C[C@@H](C[N@H+](C)Cc1c2cccnc2[nH]c1[C@H]1CCCO1)c1ccccc1 ZINC000019455977 212030078 /nfs/dbraw/zinc/03/00/78/212030078.db2.gz ISYWFVNUMGRPOM-OXJNMPFZSA-N 1 0 349.478 4.650 40 0 EJABRO Cc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(Cl)cc3)[C@H]3CCCC[C@@H]32)cn1 ZINC000019287281 212010499 /nfs/dbraw/zinc/01/04/99/212010499.db2.gz NGCQAPOEQAJGRR-MUGJNUQGSA-N 1 0 341.886 4.500 40 0 EJABRO Fc1ccccc1C1([NH2+]Cc2c[nH]nc2-c2cccs2)CCCC1 ZINC000012116973 211296749 /nfs/dbraw/zinc/29/67/49/211296749.db2.gz GPHQPIGVEFSXQP-UHFFFAOYSA-N 1 0 341.455 4.836 40 0 EJABRO COc1ccccc1C1([NH2+]Cc2c(C)nc3cc(C)ccn32)CCCC1 ZINC000012116979 211295211 /nfs/dbraw/zinc/29/52/11/211295211.db2.gz XRHVFFREWJVNJE-UHFFFAOYSA-N 1 0 349.478 4.519 40 0 EJABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OC ZINC000008253646 210920090 /nfs/dbraw/zinc/92/00/90/210920090.db2.gz CHIVEFCDJPVISA-UHFFFAOYSA-N 1 0 349.902 4.662 40 0 EJABRO CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000007261675 210775126 /nfs/dbraw/zinc/77/51/26/210775126.db2.gz YZASACWDKVPGEX-UHFFFAOYSA-N 1 0 333.859 4.817 40 0 EJABRO C[C@@H]([NH3+])[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930500 221205063 /nfs/dbraw/zinc/20/50/63/221205063.db2.gz XIWYUYGZLTUXIP-RIADUWDLSA-N 1 0 331.544 4.520 40 0 EJABRO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000328979564 257908167 /nfs/dbraw/zinc/90/81/67/257908167.db2.gz GGDWQVXOSKPXSW-HZPDHXFCSA-N 1 0 338.499 4.762 40 0 EJABRO FC(F)(F)c1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000000001039 563211376 /nfs/dbraw/zinc/21/13/76/563211376.db2.gz FOCUKKUAGZPPCU-UHFFFAOYSA-N 1 0 335.369 4.847 40 0 in-man EJABRO O[C@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccccc1 ZINC000001615789 563396807 /nfs/dbraw/zinc/39/68/07/563396807.db2.gz XDYVJGDBZXTCFA-UBVWURDFSA-N 1 0 349.518 4.629 40 0 EJABRO CC[C@@H](C)[N@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001687283 563403353 /nfs/dbraw/zinc/40/33/53/563403353.db2.gz WHPDJWYEVDVBJH-QGZVFWFLSA-N 1 0 343.515 4.802 40 0 EJABRO CC[NH+](CC)[C@@H]1CCC[C@H](Nc2ccnc3cc(Cl)ccc32)C1 ZINC000001733781 563408251 /nfs/dbraw/zinc/40/82/51/563408251.db2.gz ZODDUWYUOSRZLF-JKSUJKDBSA-N 1 0 331.891 4.953 40 0 EJABRO CCC[C@@H](C(=O)OCC[N@@H+]1CCCC12CCCCC2)C1CCCC1 ZINC000001843287 563414227 /nfs/dbraw/zinc/41/42/27/563414227.db2.gz VXWHBMILFDTMFQ-LJQANCHMSA-N 1 0 335.532 4.935 40 0 EJABRO CCCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000002042437 563419090 /nfs/dbraw/zinc/41/90/90/563419090.db2.gz XCJDGUPOJRRALG-HXUWFJFHSA-N 1 0 347.886 4.684 40 0 EJABRO CC[n+]1c(/C=C/c2ccc(O)c3ncccc23)ccc2cc(C)ccc21 ZINC000005049323 563519890 /nfs/dbraw/zinc/51/98/90/563519890.db2.gz FMOLZQHQNATYIU-UHFFFAOYSA-O 1 0 341.434 4.880 40 0 EJABRO C=C[NH2+]CCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000005235849 563524036 /nfs/dbraw/zinc/52/40/36/563524036.db2.gz YADHPVXALDBIGE-UHFFFAOYSA-N 1 0 346.261 4.667 40 0 EJABRO CC(C)CCC(CCC(C)C)[NH2+]C[C@@H](C)OC(=O)c1ccc(N)cc1 ZINC000005834643 563551881 /nfs/dbraw/zinc/55/18/81/563551881.db2.gz TWVTWCBIIFGPRH-QGZVFWFLSA-N 1 0 348.531 4.645 40 0 EJABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+](CC)C1CCCCC1 ZINC000006356059 563565922 /nfs/dbraw/zinc/56/59/22/563565922.db2.gz HUHCJNJBZMWXPS-HKUYNNGSSA-N 1 0 333.516 4.594 40 0 EJABRO O[C@](CC[NH+]1CCCCC1)(Cc1ccccc1)c1cccc(Cl)c1 ZINC000006580878 563573472 /nfs/dbraw/zinc/57/34/72/563573472.db2.gz SFCOPAFRKWVMLA-OAQYLSRUSA-N 1 0 343.898 4.646 40 0 EJABRO CCCC[NH+](CCCC)CCCNC(=O)Nc1cccc(Cl)c1 ZINC000006756768 563585702 /nfs/dbraw/zinc/58/57/02/563585702.db2.gz SDSGOJOSCBWTJF-UHFFFAOYSA-N 1 0 339.911 4.754 40 0 EJABRO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccccc1 ZINC000006882512 563590597 /nfs/dbraw/zinc/59/05/97/563590597.db2.gz RGPJITHJWMCMDQ-UHFFFAOYSA-N 1 0 333.859 4.816 40 0 EJABRO CCCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000007261285 563598355 /nfs/dbraw/zinc/59/83/55/563598355.db2.gz VEQVUJQPTWJJSN-UHFFFAOYSA-N 1 0 327.468 4.862 40 0 EJABRO CCOc1c(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC ZINC000008253375 563624734 /nfs/dbraw/zinc/62/47/34/563624734.db2.gz SPNHIKOXEAWMDH-UHFFFAOYSA-N 1 0 349.902 4.662 40 0 EJABRO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008325959 563626522 /nfs/dbraw/zinc/62/65/22/563626522.db2.gz GWAIGRZRAAYPKR-CQSZACIVSA-N 1 0 333.859 4.816 40 0 EJABRO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000008326782 563626940 /nfs/dbraw/zinc/62/69/40/563626940.db2.gz PQXZFTYFTVVGHO-AWEZNQCLSA-N 1 0 333.859 4.816 40 0 EJABRO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccccc1 ZINC000008470335 563630897 /nfs/dbraw/zinc/63/08/97/563630897.db2.gz ZVQIBONSJTUSLH-UHFFFAOYSA-N 1 0 345.870 4.960 40 0 EJABRO COc1cccc(C[NH2+]C2CCCC2)c1OCc1ccccc1Cl ZINC000008495566 563631151 /nfs/dbraw/zinc/63/11/51/563631151.db2.gz PTWRQVYWTRVYGQ-UHFFFAOYSA-N 1 0 345.870 4.960 40 0 EJABRO COc1ccc(C2([NH2+]Cc3c(C)nc4cc(C)ccn43)CCCC2)cc1 ZINC000012147589 563655156 /nfs/dbraw/zinc/65/51/56/563655156.db2.gz LKSNTLYOYHEHBQ-UHFFFAOYSA-N 1 0 349.478 4.519 40 0 EJABRO Fc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1 ZINC000016450076 563812022 /nfs/dbraw/zinc/81/20/22/563812022.db2.gz FBVZQXIOZHEQJV-UHFFFAOYSA-N 1 0 339.385 4.834 40 0 EJABRO CC1CC[NH+](Cc2ccc(C(=O)NC3CCCCCCC3)cc2)CC1 ZINC000030944114 563911849 /nfs/dbraw/zinc/91/18/49/563911849.db2.gz FNCNORNEVYYOIM-UHFFFAOYSA-N 1 0 342.527 4.761 40 0 EJABRO C[NH2+][C@@H]1C(c2ccc(C)cc2)=NN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000031638242 563912901 /nfs/dbraw/zinc/91/29/01/563912901.db2.gz HDSOFYVWMRYEQH-DHIUTWEWSA-N 1 0 341.458 4.549 40 0 EJABRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](C2CCCCCCCCCC2)N1 ZINC000054363787 563932936 /nfs/dbraw/zinc/93/29/36/563932936.db2.gz NNXUGAQFGWAHOL-SFHVURJKSA-N 1 0 339.487 4.615 40 0 EJABRO CO[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccc(C)cc21 ZINC000096100186 563979182 /nfs/dbraw/zinc/97/91/82/563979182.db2.gz GDLUJQUMHPMSLY-LJQANCHMSA-N 1 0 327.493 4.682 40 0 EJABRO CC(C)[NH+]1CCC2(CN(Cc3ccccc3)c3ccc(F)cc32)CC1 ZINC000096261814 563980686 /nfs/dbraw/zinc/98/06/86/563980686.db2.gz CSQRUNOBNTZZSS-UHFFFAOYSA-N 1 0 338.470 4.588 40 0 EJABRO Clc1cccc(C[C@@H]2[NH2+]CCC[C@@H]2Nc2cccc(Cl)c2)c1 ZINC000585262272 563980843 /nfs/dbraw/zinc/98/08/43/563980843.db2.gz OZVNECHGDTYBHM-ROUUACIJSA-N 1 0 335.278 4.769 40 0 EJABRO C[N@@H+]1CCC[C@H](COc2ccccc2Oc2ccc(Cl)cc2)C1 ZINC000585266175 563981147 /nfs/dbraw/zinc/98/11/47/563981147.db2.gz FFBAAGIQURPOSY-HNNXBMFYSA-N 1 0 331.843 4.853 40 0 EJABRO Clc1cccc(Oc2ccccc2OCC[NH+]2CCCCC2)c1 ZINC000585265714 563981167 /nfs/dbraw/zinc/98/11/67/563981167.db2.gz ZGZOJHMMIAXEET-UHFFFAOYSA-N 1 0 331.843 4.997 40 0 EJABRO C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215607 563984380 /nfs/dbraw/zinc/98/43/80/563984380.db2.gz BXKINAIMQVLGAJ-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO c1ccc(COc2ncccc2[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000072212068 563984435 /nfs/dbraw/zinc/98/44/35/563984435.db2.gz NTGTUBVPDQVGBS-JOCHJYFZSA-N 1 0 344.458 4.998 40 0 EJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214522 563984789 /nfs/dbraw/zinc/98/47/89/563984789.db2.gz PHWHFBXKHRRUPD-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072214694 563984880 /nfs/dbraw/zinc/98/48/80/563984880.db2.gz NVGHZYPQVGZKLW-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072215212 563985126 /nfs/dbraw/zinc/98/51/26/563985126.db2.gz QMLMGOLARUOWJV-RDJZCZTQSA-N 1 0 347.503 4.778 40 0 EJABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072215253 563985176 /nfs/dbraw/zinc/98/51/76/563985176.db2.gz AYUZVIXLECWNNY-WBVHZDCISA-N 1 0 347.503 4.778 40 0 EJABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215383 563985236 /nfs/dbraw/zinc/98/52/36/563985236.db2.gz SWHUKGBUQJKKHC-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215433 563985316 /nfs/dbraw/zinc/98/53/16/563985316.db2.gz OMIWARQJOVQPLL-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216631 563985497 /nfs/dbraw/zinc/98/54/97/563985497.db2.gz QVJYCXWAFZLMSU-OAQYLSRUSA-N 1 0 335.495 4.799 40 0 EJABRO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218826 563985667 /nfs/dbraw/zinc/98/56/67/563985667.db2.gz QSFPFLFQKYVMHE-NRFANRHFSA-N 1 0 335.495 4.717 40 0 EJABRO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218827 563985674 /nfs/dbraw/zinc/98/56/74/563985674.db2.gz QSFPFLFQKYVMHE-OAQYLSRUSA-N 1 0 335.495 4.717 40 0 EJABRO Cc1nc(N2CCCC2)ccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218947 563985711 /nfs/dbraw/zinc/98/57/11/563985711.db2.gz BZCWEIFEUZEXTL-OAQYLSRUSA-N 1 0 335.495 4.717 40 0 EJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000000568240 564012766 /nfs/dbraw/zinc/01/27/66/564012766.db2.gz JWYYIDRXGWKSCX-UHFFFAOYSA-N 1 0 332.447 4.934 40 0 EJABRO C[NH+](C)CCC/N=c1/cc(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000102714384 564013414 /nfs/dbraw/zinc/01/34/14/564013414.db2.gz AXNJKVXDLMYBNG-PYCFMQQDSA-N 1 0 340.854 4.606 40 0 EJABRO CCCCCC[NH2+]Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000007261054 564015413 /nfs/dbraw/zinc/01/54/13/564015413.db2.gz QPBOHJXFGPRQFH-UHFFFAOYSA-N 1 0 329.440 4.793 40 0 EJABRO CCCC[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000007261646 564015443 /nfs/dbraw/zinc/01/54/43/564015443.db2.gz CEXQDJYMCSKFFJ-UHFFFAOYSA-N 1 0 339.888 4.879 40 0 EJABRO C[C@H]([NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022076595 564034225 /nfs/dbraw/zinc/03/42/25/564034225.db2.gz VZRPVBFYVPJKMO-XOBRGWDASA-N 1 0 341.838 4.812 40 0 EJABRO COc1ccc2[nH]cc([C@H]3CC[N@H+](Cc4ccccc4Cl)C3)c2c1 ZINC000057744980 564035007 /nfs/dbraw/zinc/03/50/07/564035007.db2.gz HCOHGEBGCABSNC-AWEZNQCLSA-N 1 0 340.854 4.819 40 0 EJABRO CC[C@@H]([NH2+]CC(C)C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000222637156 564037275 /nfs/dbraw/zinc/03/72/75/564037275.db2.gz ZWOFDTZYXKXWOB-LJQANCHMSA-N 1 0 327.468 4.971 40 0 EJABRO CC(C)(C)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224095506 564041658 /nfs/dbraw/zinc/04/16/58/564041658.db2.gz LOHOFMMOSQABRG-UHFFFAOYSA-N 1 0 330.516 4.617 40 0 EJABRO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000224530506 564043028 /nfs/dbraw/zinc/04/30/28/564043028.db2.gz UEIUOSXNSMJRRL-LJQANCHMSA-N 1 0 344.543 4.540 40 0 EJABRO Cc1cccc(C[NH+]2CCC(C(=O)NC(C)(C)CC(C)(C)C)CC2)c1 ZINC000224528276 564043058 /nfs/dbraw/zinc/04/30/58/564043058.db2.gz ADQFVLTWAKNHIG-UHFFFAOYSA-N 1 0 344.543 4.538 40 0 EJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C(C)C)cc1 ZINC000225580374 564048022 /nfs/dbraw/zinc/04/80/22/564048022.db2.gz RUWKCMRVRGNFLA-LJQANCHMSA-N 1 0 347.572 4.751 40 0 EJABRO O=C(c1ccc(F)cc1)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000001542568 564065579 /nfs/dbraw/zinc/06/55/79/564065579.db2.gz FTJXZACAQRDRNT-UHFFFAOYSA-N 1 0 339.454 4.743 40 0 in-vitro EJABRO CCc1ccc2oc(C3=CC[N@H+](Cc4ccc(C)cc4)CC3)nc2c1 ZINC000226251245 564117260 /nfs/dbraw/zinc/11/72/60/564117260.db2.gz VNAJZZPLOYQBNA-UHFFFAOYSA-N 1 0 332.447 4.988 40 0 EJABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(C)c(Br)c1 ZINC000001718269 209787165 /nfs/dbraw/zinc/78/71/65/209787165.db2.gz KXKDEORXASPZRH-KRWDZBQOSA-N 1 0 342.321 4.693 40 0 EJABRO C[C@@H](C[NH+]1CCCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698659 209783700 /nfs/dbraw/zinc/78/37/00/209783700.db2.gz MEHPGVGVBWKTJB-UWJYYQICSA-N 1 0 343.898 4.502 40 0 EJABRO COc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nc(C)cs2)cc1 ZINC000019240085 202000641 /nfs/dbraw/zinc/00/06/41/202000641.db2.gz KXTFFCYTZAVEDK-KRWDZBQOSA-N 1 0 344.505 4.595 40 0 EJABRO CCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000038835373 213228387 /nfs/dbraw/zinc/22/83/87/213228387.db2.gz XRNBRQNVZWSCES-KRWDZBQOSA-N 1 0 336.479 4.733 40 0 EJABRO CC1CC[NH+](Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1 ZINC000038852447 213228355 /nfs/dbraw/zinc/22/83/55/213228355.db2.gz SXDJQMFGPOYURR-UHFFFAOYSA-N 1 0 340.511 4.539 40 0 EJABRO Cc1cc(C)cc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038833563 213227963 /nfs/dbraw/zinc/22/79/63/213227963.db2.gz OALNMMPQVXIGTI-MRXNPFEDSA-N 1 0 336.479 4.788 40 0 EJABRO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000072358345 216165875 /nfs/dbraw/zinc/16/58/75/216165875.db2.gz ATUAVQMDCVJLMD-LJQANCHMSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072358335 216166001 /nfs/dbraw/zinc/16/60/01/216166001.db2.gz MBUJQHPJSMHKPQ-INIZCTEOSA-N 1 0 339.458 4.795 40 0 EJABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359298 216166289 /nfs/dbraw/zinc/16/62/89/216166289.db2.gz MQJAKPTUTFTZPN-HNNXBMFYSA-N 1 0 349.400 4.750 40 0 EJABRO Fc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348835 216160812 /nfs/dbraw/zinc/16/08/12/216160812.db2.gz YMOCWUUGHXYCNJ-IBGZPJMESA-N 1 0 347.437 4.662 40 0 EJABRO Fc1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1 ZINC000022076497 212276823 /nfs/dbraw/zinc/27/68/23/212276823.db2.gz GVLHUAUAALQGHY-UHFFFAOYSA-N 1 0 334.394 4.899 40 0 EJABRO CC[n+]1cc(Br)cc(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000226774830 242115184 /nfs/dbraw/zinc/11/51/84/242115184.db2.gz OQTXSDDJKCUGBC-UHFFFAOYSA-N 1 0 346.248 4.688 40 0 EJABRO Cc1cc2nc(-c3ccc[n+](Cc4cccc(F)c4)c3)oc2c(C)c1 ZINC000226308213 242096848 /nfs/dbraw/zinc/09/68/48/242096848.db2.gz QZFHNMZRGOZZPQ-UHFFFAOYSA-N 1 0 333.386 4.587 40 0 EJABRO [NH3+][C@H](COc1cccc(F)c1Oc1ccccc1)Cc1ccccc1 ZINC000257249398 244265190 /nfs/dbraw/zinc/26/51/90/244265190.db2.gz JIDMVHDNOHYCFS-KRWDZBQOSA-N 1 0 337.394 4.567 40 0 EJABRO CCc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020042338 212096945 /nfs/dbraw/zinc/09/69/45/212096945.db2.gz ISWUHTNGCWEPPX-UHFFFAOYSA-N 1 0 336.479 4.733 40 0 EJABRO Cc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000019932548 212086253 /nfs/dbraw/zinc/08/62/53/212086253.db2.gz KSCNRTGORJULMH-MRXNPFEDSA-N 1 0 336.479 4.788 40 0 EJABRO Cc1nn(C(C)C)c(C)c1C[NH2+]C1(c2ccccc2F)CCCC1 ZINC000019577482 212045204 /nfs/dbraw/zinc/04/52/04/212045204.db2.gz SBWXLEYANPVVCX-UHFFFAOYSA-N 1 0 329.463 4.779 40 0 EJABRO C[C@H](C[NH2+][C@H](Cc1ccsc1)c1nccs1)c1ccccc1 ZINC000019456524 212029233 /nfs/dbraw/zinc/02/92/33/212029233.db2.gz NNNZEKCJZYVZOT-RHSMWYFYSA-N 1 0 328.506 4.882 40 0 EJABRO Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000019336291 212017436 /nfs/dbraw/zinc/01/74/36/212017436.db2.gz WBTAPMSKJUVVQP-YRPNKDGESA-N 1 0 326.871 4.797 40 0 EJABRO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccc(OC(C)C)cc2)on1 ZINC000019120273 212000904 /nfs/dbraw/zinc/00/09/04/212000904.db2.gz LXHREPMXNYPQRV-LJQANCHMSA-N 1 0 328.456 4.888 40 0 EJABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1Cl ZINC000012342218 211353075 /nfs/dbraw/zinc/35/30/75/211353075.db2.gz ZJSORPWYRKFLDQ-AVGNSLFASA-N 1 0 344.282 4.802 40 0 EJABRO CCn1nc(C)c(C[N@@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000012228196 211325454 /nfs/dbraw/zinc/32/54/54/211325454.db2.gz XHSUFUPOHKMCQJ-OAQYLSRUSA-N 1 0 337.511 4.680 40 0 EJABRO O=C(Nc1ccc(F)c(Cl)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010338736 257860956 /nfs/dbraw/zinc/86/09/56/257860956.db2.gz UTBJPASBOJXBEO-UHFFFAOYSA-N 1 0 346.833 4.717 40 0 EJABRO C[N@H+]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@@H](O)C[C@H]1c1ccccc1 ZINC000245380447 524031258 /nfs/dbraw/zinc/03/12/58/524031258.db2.gz ZIIZMWKPNMCHTR-XQUALCHDSA-N 1 0 343.470 4.949 40 0 EJABRO CCC(C)(C)[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000001666875 563401035 /nfs/dbraw/zinc/40/10/35/563401035.db2.gz XDRINNYGTWOXIX-UHFFFAOYSA-N 1 0 329.488 4.604 40 0 EJABRO CC[NH+](CC)C[C@@H](C)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698639 563404174 /nfs/dbraw/zinc/40/41/74/563404174.db2.gz RUSRLRVPPPZXLK-DYESRHJHSA-N 1 0 345.914 4.748 40 0 EJABRO C[C@H](C[NH+]1CCCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698652 563404591 /nfs/dbraw/zinc/40/45/91/563404591.db2.gz SYKZFXRPVKSEHD-OXQOHEQNSA-N 1 0 335.919 4.840 40 0 EJABRO O=C(OCc1ccccc1C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000001716148 563406484 /nfs/dbraw/zinc/40/64/84/563406484.db2.gz NHRSYQTYZCPTML-UHFFFAOYSA-N 1 0 343.854 4.683 40 0 EJABRO C[NH+](C)CCOc1ccc(Cc2ccccc2)cc1Cc1ccccc1 ZINC000001718677 563406921 /nfs/dbraw/zinc/40/69/21/563406921.db2.gz PFPURQNLXHBEEL-UHFFFAOYSA-N 1 0 345.486 4.809 40 0 EJABRO CCCC[N@H+](CC)C[C@H](CC)Nc1cc(OC)cc2cccnc21 ZINC000002042618 563418972 /nfs/dbraw/zinc/41/89/72/563418972.db2.gz MSAOVUPSUJPSAC-KRWDZBQOSA-N 1 0 329.488 4.556 40 0 EJABRO CC(=O)Nc1ccc2c(c1)[C@H]([NH+]1CC3CCC(CC3)C1)c1ccccc1-2 ZINC000004913759 563515472 /nfs/dbraw/zinc/51/54/72/563515472.db2.gz XINRDXSLRJXVSV-PVWAMWICSA-N 1 0 346.474 4.837 40 0 EJABRO O[C@@](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)C1CCCCC1 ZINC000004934831 563515569 /nfs/dbraw/zinc/51/55/69/563515569.db2.gz YTKGWTCAIJTXJU-JTAQYXEDSA-N 1 0 341.539 4.967 40 0 EJABRO CCC[NH+](CCC)C[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000006380174 563566609 /nfs/dbraw/zinc/56/66/09/563566609.db2.gz URSHEVDCYDQDGO-JOCHJYFZSA-N 1 0 325.496 4.874 40 0 EJABRO C[NH+](C)[C@H]1CCc2c3ccccc3ccc2[C@@H]1OC(=O)c1ccccc1 ZINC000006437269 563567951 /nfs/dbraw/zinc/56/79/51/563567951.db2.gz MABOKCQFSCINST-VXKWHMMOSA-N 1 0 345.442 4.614 40 0 EJABRO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccccc1 ZINC000006883542 563590568 /nfs/dbraw/zinc/59/05/68/563590568.db2.gz LTSZJKIRYYOKDP-UHFFFAOYSA-N 1 0 333.859 4.673 40 0 EJABRO CCCCC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007261276 563598345 /nfs/dbraw/zinc/59/83/45/563598345.db2.gz KAXVUJPVYPJSLS-UHFFFAOYSA-N 1 0 327.468 4.597 40 0 EJABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC ZINC000008253643 563624684 /nfs/dbraw/zinc/62/46/84/563624684.db2.gz UGNCWZANQVQPHE-UHFFFAOYSA-N 1 0 349.902 4.806 40 0 EJABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCC ZINC000008253903 563624730 /nfs/dbraw/zinc/62/47/30/563624730.db2.gz CDNRRSIRADXYLV-UHFFFAOYSA-N 1 0 337.822 4.566 40 0 EJABRO COc1c(Cl)cc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000008469561 563630950 /nfs/dbraw/zinc/63/09/50/563630950.db2.gz XMSCLDKWICYMAQ-UHFFFAOYSA-N 1 0 340.294 4.916 40 0 EJABRO O=C(Nc1ccccc1)[C@@H]([NH2+]C1CCCCC1)c1ccc(Cl)cc1 ZINC000408734322 563633637 /nfs/dbraw/zinc/63/36/37/563633637.db2.gz MZOHFSACIVVPHT-IBGZPJMESA-N 1 0 342.870 4.942 40 0 EJABRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010336711 563647684 /nfs/dbraw/zinc/64/76/84/563647684.db2.gz YTBPNGKKDMHHQL-UHFFFAOYSA-N 1 0 348.368 4.554 40 0 EJABRO c1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000016480618 563812748 /nfs/dbraw/zinc/81/27/48/563812748.db2.gz BJHKOWYUKIGPPW-HXUWFJFHSA-N 1 0 347.458 4.687 40 0 EJABRO CCCC[NH2+]C(C)(C)COC(=O)/C=C\c1ccc(OCCCC)cc1 ZINC000017157477 563839114 /nfs/dbraw/zinc/83/91/14/563839114.db2.gz DBWIJBFAIFEGRA-KAMYIIQDSA-N 1 0 347.499 4.590 40 0 EJABRO O[C@@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccccc1 ZINC000017378373 563843748 /nfs/dbraw/zinc/84/37/48/563843748.db2.gz XDYVJGDBZXTCFA-IWAAJCSBSA-N 1 0 349.518 4.629 40 0 EJABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](SC(N)=[NH2+])CC[C@@]43C)[C@@H]1CCC2=O ZINC000118931213 563866498 /nfs/dbraw/zinc/86/64/98/563866498.db2.gz CHRVZSYISQNFKQ-IGVQRDAMSA-N 1 0 346.540 4.514 40 0 EJABRO O=C(Nc1ccc(F)c(F)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030938437 563911781 /nfs/dbraw/zinc/91/17/81/563911781.db2.gz AOUPAPQLEYHZOD-UHFFFAOYSA-N 1 0 344.405 4.593 40 0 EJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000044935454 563928529 /nfs/dbraw/zinc/92/85/29/563928529.db2.gz PJCVLTZXEDSIEQ-NRFANRHFSA-N 1 0 336.479 4.554 40 0 EJABRO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(C)C)[C@@H]2Cc2ccccc2)s1 ZINC000096061663 563979010 /nfs/dbraw/zinc/97/90/10/563979010.db2.gz WENUQBMCNONOOO-RTWAWAEBSA-N 1 0 342.552 4.582 40 0 EJABRO CO[C@H]1CC2(CC[NH+](Cc3ccc(C)s3)CC2)c2ccc(C)cc21 ZINC000096100193 563979188 /nfs/dbraw/zinc/97/91/88/563979188.db2.gz RIAHFEKWJANWTK-FQEVSTJZSA-N 1 0 341.520 4.990 40 0 EJABRO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC=CC=C1[C@@H](C2)[NH2+]CC3 ZINC000096316414 563980748 /nfs/dbraw/zinc/98/07/48/563980748.db2.gz YGXWFNJFMMVROW-AUSIDOKSSA-N 1 0 345.442 4.530 40 0 biogenic,in-vitro EJABRO CC[NH+](CC)CCOc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000585265456 563981126 /nfs/dbraw/zinc/98/11/26/563981126.db2.gz QPONANFPUSOQLK-UHFFFAOYSA-N 1 0 337.822 4.992 40 0 EJABRO Fc1ccc(Oc2ccccc2)c(OCCC[NH+]2CCCCC2)c1 ZINC000585266192 563981150 /nfs/dbraw/zinc/98/11/50/563981150.db2.gz HRUPIOGKKORYCE-UHFFFAOYSA-N 1 0 329.415 4.873 40 0 EJABRO c1ccc(COc2ccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)cn2)cc1 ZINC000072212009 563984448 /nfs/dbraw/zinc/98/44/48/563984448.db2.gz FITSZYCSTWFXNF-QFIPXVFZSA-N 1 0 344.458 4.998 40 0 EJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214400 563984746 /nfs/dbraw/zinc/98/47/46/563984746.db2.gz DWNPVPOQWAOLTB-MRXNPFEDSA-N 1 0 333.476 4.612 40 0 EJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214402 563984777 /nfs/dbraw/zinc/98/47/77/563984777.db2.gz GGFXOXNCRGPDJF-MRXNPFEDSA-N 1 0 333.476 4.756 40 0 EJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214463 563984804 /nfs/dbraw/zinc/98/48/04/563984804.db2.gz ONFCVLSVIBXOBE-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214624 563984853 /nfs/dbraw/zinc/98/48/53/563984853.db2.gz YXTRARIHYWFJCB-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072214621 563984861 /nfs/dbraw/zinc/98/48/61/563984861.db2.gz CEANUQKXNJTBEP-KRWDZBQOSA-N 1 0 347.503 4.636 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072214755 563984889 /nfs/dbraw/zinc/98/48/89/563984889.db2.gz SMSLOWVPRXZMIS-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072214819 563984987 /nfs/dbraw/zinc/98/49/87/563984987.db2.gz LKNDHZIXVWMKDK-QGZVFWFLSA-N 1 0 347.503 4.778 40 0 EJABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214860 563985006 /nfs/dbraw/zinc/98/50/06/563985006.db2.gz ZTZZOACQJFUUBY-KRWDZBQOSA-N 1 0 347.503 4.778 40 0 EJABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072215142 563985146 /nfs/dbraw/zinc/98/51/46/563985146.db2.gz GLJXFSGZGBTCQP-RDJZCZTQSA-N 1 0 347.503 4.778 40 0 EJABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215338 563985208 /nfs/dbraw/zinc/98/52/08/563985208.db2.gz XWFPXJIVKOBWEQ-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215494 563985257 /nfs/dbraw/zinc/98/52/57/563985257.db2.gz MLEAOHRODXZGBG-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216068 563985506 /nfs/dbraw/zinc/98/55/06/563985506.db2.gz LMKHHBZXGSURIQ-OAQYLSRUSA-N 1 0 335.495 4.799 40 0 EJABRO C[C@@H]1CC2=C(C[C@H]1[C@@H]1OC[C@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000002105894 564003732 /nfs/dbraw/zinc/00/37/32/564003732.db2.gz GWNYATQURCVOGA-WQZMEWCLSA-N 1 0 347.543 4.767 40 0 EJABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000005996881 564014404 /nfs/dbraw/zinc/01/44/04/564014404.db2.gz SILJMSNNNPJIDE-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000005996878 564014429 /nfs/dbraw/zinc/01/44/29/564014429.db2.gz BBJGXEUVNYKKTF-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008325908 564016102 /nfs/dbraw/zinc/01/61/02/564016102.db2.gz PXGWCYPBORPPQE-CQSZACIVSA-N 1 0 333.859 4.816 40 0 EJABRO CC[C@@H]1C[N@H+](CCc2ccccc2)Cc2cc3cccc(C)c3nc2O1 ZINC000013563869 564020380 /nfs/dbraw/zinc/02/03/80/564020380.db2.gz ROEZGJAWTWQICA-OAQYLSRUSA-N 1 0 346.474 4.759 40 0 EJABRO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000014163196 564021545 /nfs/dbraw/zinc/02/15/45/564021545.db2.gz WPGVZYFVIIEJQI-NRFANRHFSA-N 1 0 332.447 4.886 40 0 EJABRO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)cc1 ZINC000049169412 564032576 /nfs/dbraw/zinc/03/25/76/564032576.db2.gz HPPAALSQYQTYQD-AWEZNQCLSA-N 1 0 331.847 4.512 40 0 biogenic,in-vitro EJABRO CCCC[C@@H](CC)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224095658 564041702 /nfs/dbraw/zinc/04/17/02/564041702.db2.gz BEGWERSHDIFBFC-GOSISDBHSA-N 1 0 330.516 4.619 40 0 EJABRO Cc1ccc2[nH]c(C3=CC[N@H+](Cc4ccccc4Cl)CC3)nc2c1 ZINC000226250709 564117194 /nfs/dbraw/zinc/11/71/94/564117194.db2.gz JVZRWJKKNFPRLP-UHFFFAOYSA-N 1 0 337.854 4.814 40 0 EJABRO Cc1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008700918 564134055 /nfs/dbraw/zinc/13/40/55/564134055.db2.gz ZVQPHRCZKRHKQI-AOMKIAJQSA-N 1 0 338.495 4.958 40 0 EJABRO CC[C@@H](c1ccc2c(ccc(OC)c2Br)c1)C(C)(C)[NH3+] ZINC000225752165 564150425 /nfs/dbraw/zinc/15/04/25/564150425.db2.gz QVRGKMKHUCZEBL-AWEZNQCLSA-N 1 0 336.273 4.842 40 0 EJABRO O[C@@H](c1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000031923893 564177446 /nfs/dbraw/zinc/17/74/46/564177446.db2.gz ZRLBPOAWKPNOPZ-GOTSBHOMSA-N 1 0 329.443 4.520 40 0 EJABRO [NH3+]C/C(=C\c1ccccc1Cl)c1nc(-c2ccccc2)cs1 ZINC000004577676 210225295 /nfs/dbraw/zinc/22/52/95/210225295.db2.gz WUXMMZFQXLVUMH-XNTDXEJSSA-N 1 0 326.852 4.963 40 0 EJABRO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[NH+](CC(C)C)CC(C)C ZINC000004340141 210175791 /nfs/dbraw/zinc/17/57/91/210175791.db2.gz YTZBYUVJTVVMFJ-UHFFFAOYSA-N 1 0 334.891 4.604 40 0 EJABRO c1ccc(C[n+]2sc(Nc3ccccc3)nc2-c2ccccc2)cc1 ZINC000001799797 209795401 /nfs/dbraw/zinc/79/54/01/209795401.db2.gz YWKXLWSLQFXBLS-UHFFFAOYSA-O 1 0 344.463 4.890 40 0 EJABRO C[C@H](OC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000001569401 209760231 /nfs/dbraw/zinc/76/02/31/209760231.db2.gz WWFXXOLLBWVWJA-RXVVDRJESA-N 1 0 337.463 4.908 40 0 EJABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc2ccccc21 ZINC000008300095 291012348 /nfs/dbraw/zinc/01/23/48/291012348.db2.gz HGWZSCZNOJQJHI-RYQLBKOJSA-N 1 0 338.451 4.509 40 0 biogenic,in-vitro EJABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000019570323 202013195 /nfs/dbraw/zinc/01/31/95/202013195.db2.gz LZNTVDJUUFYRPZ-LJQANCHMSA-N 1 0 332.447 4.623 40 0 EJABRO C=Cn1cc(C[N@H+](CCc2ccccc2)Cc2cccs2)c(C)n1 ZINC000019584124 202013208 /nfs/dbraw/zinc/01/32/08/202013208.db2.gz IOUCARMIDMEMCP-UHFFFAOYSA-N 1 0 337.492 4.598 40 0 EJABRO Cc1ccc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038833434 213228723 /nfs/dbraw/zinc/22/87/23/213228723.db2.gz ZJIVXZDOLGKFBE-QGZVFWFLSA-N 1 0 336.479 4.788 40 0 EJABRO Cc1cccc(C)c1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038833496 213227550 /nfs/dbraw/zinc/22/75/50/213227550.db2.gz IBVLBBLDMRFUFE-INIZCTEOSA-N 1 0 336.479 4.788 40 0 EJABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000022074752 202078268 /nfs/dbraw/zinc/07/82/68/202078268.db2.gz GXWJRRKDGJZLLE-UHFFFAOYSA-N 1 0 342.241 4.864 40 0 EJABRO CC1=C[C@@H](C[NH2+]C(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000035442757 213028842 /nfs/dbraw/zinc/02/88/42/213028842.db2.gz LJVMZBOENLTWPZ-BZSNNMDCSA-N 1 0 347.547 4.762 40 0 biogenic,in-vitro EJABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 ZINC000035446463 213028349 /nfs/dbraw/zinc/02/83/49/213028349.db2.gz SDVNRIFTLSJSDA-HNNXBMFYSA-N 1 0 326.827 4.779 40 0 biogenic,in-vitro EJABRO Cc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348796 216161235 /nfs/dbraw/zinc/16/12/35/216161235.db2.gz GYUNEUBTDDNWIM-OAQYLSRUSA-N 1 0 343.474 4.832 40 0 EJABRO Fc1cccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)c1 ZINC000072357713 216163766 /nfs/dbraw/zinc/16/37/66/216163766.db2.gz GOFVYUKYNZEFJY-JOCHJYFZSA-N 1 0 347.437 4.544 40 0 EJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCCCCCC3)cc2)C1 ZINC000022515895 212303379 /nfs/dbraw/zinc/30/33/79/212303379.db2.gz LTEDLJRNZRHUFH-GOSISDBHSA-N 1 0 342.527 4.761 40 0 EJABRO Fc1ccccc1-c1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348924 203203227 /nfs/dbraw/zinc/20/32/27/203203227.db2.gz DNJDHSPBBJZVRY-KRWDZBQOSA-N 1 0 347.437 4.662 40 0 EJABRO CCc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000019932791 212086519 /nfs/dbraw/zinc/08/65/19/212086519.db2.gz SIBOMMLNWQOYLT-UHFFFAOYSA-N 1 0 336.479 4.733 40 0 EJABRO COc1cc(C)c(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)cc1C ZINC000019567358 212043601 /nfs/dbraw/zinc/04/36/01/212043601.db2.gz FNKLWGBOXHNUFM-LJQANCHMSA-N 1 0 328.456 4.726 40 0 EJABRO C[C@H](C[NH2+][C@@H](Cc1ccsc1)c1nccs1)c1ccccc1 ZINC000019456520 212029420 /nfs/dbraw/zinc/02/94/20/212029420.db2.gz NNNZEKCJZYVZOT-PBHICJAKSA-N 1 0 328.506 4.882 40 0 EJABRO C[C@@H](CCn1ccc2ccncc21)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019455851 212029437 /nfs/dbraw/zinc/02/94/37/212029437.db2.gz ADDYSFSFDBJWGM-AWEZNQCLSA-N 1 0 347.384 4.624 40 0 EJABRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000049169075 204369482 /nfs/dbraw/zinc/36/94/82/204369482.db2.gz HPCJJAZFAXMADQ-AWEZNQCLSA-N 1 0 345.368 4.571 40 0 biogenic,in-vitro EJABRO Fc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000016480418 211907795 /nfs/dbraw/zinc/90/77/95/211907795.db2.gz GFVZIOQQCMCNBU-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000012337882 211351339 /nfs/dbraw/zinc/35/13/39/211351339.db2.gz OEONADRMHBXMJH-ZRNYENFQSA-N 1 0 331.887 4.549 40 0 EJABRO [NH3+]Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000095082478 218274363 /nfs/dbraw/zinc/27/43/63/218274363.db2.gz XMNFMWNJXDGPGU-UHFFFAOYSA-N 1 0 344.414 4.506 40 0 EJABRO CC[n+]1ccc(/C=C/c2c[nH]c3ccc(OC)cc23)c2ccccc21 ZINC000008767900 211001846 /nfs/dbraw/zinc/00/18/46/211001846.db2.gz JFOUZWIMCFWAHD-UHFFFAOYSA-O 1 0 329.423 4.808 40 0 EJABRO O[C@](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)C1CCCCC1 ZINC000004934833 210328612 /nfs/dbraw/zinc/32/86/12/210328612.db2.gz YTKGWTCAIJTXJU-SXWKCWPCSA-N 1 0 341.539 4.967 40 0 EJABRO Cc1ccc2c(ccc(/C=C\c3cc(C)c4cccnc4c3O)[n+]2C)c1 ZINC000004823025 210287880 /nfs/dbraw/zinc/28/78/80/210287880.db2.gz BKZBDFLHSRXTPU-UHFFFAOYSA-O 1 0 341.434 4.705 40 0 EJABRO CC(C)c1nc(N2CCc3ccccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329070024 257900981 /nfs/dbraw/zinc/90/09/81/257900981.db2.gz ZCXDCEDJBMPAFI-UHFFFAOYSA-N 1 0 336.483 4.517 40 0 EJABRO CCC[C@@H](C)[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000001666857 563401065 /nfs/dbraw/zinc/40/10/65/563401065.db2.gz HEVXURVVVADILY-MRXNPFEDSA-N 1 0 329.488 4.604 40 0 EJABRO CC(C)[NH+](C[C@@H](c1ccccc1)[C@@](C)(O)c1ccccc1)C(C)C ZINC000001670731 563401724 /nfs/dbraw/zinc/40/17/24/563401724.db2.gz PKBJERGOXGFAOR-VXKWHMMOSA-N 1 0 325.496 4.797 40 0 EJABRO COc1ccc2c(-c3ccc(OCC[NH+]4CCCC4)cc3)coc2c1 ZINC000001716419 563406408 /nfs/dbraw/zinc/40/64/08/563406408.db2.gz NYURFRDXBWWITH-UHFFFAOYSA-N 1 0 337.419 4.583 40 0 EJABRO CC[NH+](CC)[C@H]1CCC[C@@H](Nc2ccnc3cc(Cl)ccc32)C1 ZINC000001733778 563408317 /nfs/dbraw/zinc/40/83/17/563408317.db2.gz ZODDUWYUOSRZLF-CVEARBPZSA-N 1 0 331.891 4.953 40 0 EJABRO COc1cc2cccnc2c(NCCCCCC[N@H+](C)C(C)C)c1 ZINC000001733783 563408348 /nfs/dbraw/zinc/40/83/48/563408348.db2.gz RSHQZRONHCISLW-UHFFFAOYSA-N 1 0 329.488 4.556 40 0 EJABRO Cc1ccc(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000408583370 563484251 /nfs/dbraw/zinc/48/42/51/563484251.db2.gz UCKIMHAOYPUOJM-UHFFFAOYSA-N 1 0 328.500 4.901 40 0 EJABRO CCCCCC(CCCCC)[NH2+]C[C@@H](C)OC(=O)c1ccc(N)cc1 ZINC000005421783 563532256 /nfs/dbraw/zinc/53/22/56/563532256.db2.gz HKRGKXGAYVHIKD-QGZVFWFLSA-N 1 0 348.531 4.933 40 0 EJABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(OC)c2ccccc21 ZINC000005973437 563556197 /nfs/dbraw/zinc/55/61/97/563556197.db2.gz KLCBSVDLCRYTKX-HXUWFJFHSA-N 1 0 329.484 4.784 40 0 EJABRO CCCCCC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000007260955 563597909 /nfs/dbraw/zinc/59/79/09/563597909.db2.gz PTSJOPZTDZABDG-UHFFFAOYSA-N 1 0 344.293 4.526 40 0 EJABRO CCCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1 ZINC000007261347 563598331 /nfs/dbraw/zinc/59/83/31/563598331.db2.gz AGCBHVONFDTWKU-UHFFFAOYSA-N 1 0 327.468 4.944 40 0 EJABRO CCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000007261683 563598623 /nfs/dbraw/zinc/59/86/23/563598623.db2.gz GBDFFFUJUXTCEQ-UHFFFAOYSA-N 1 0 333.859 4.817 40 0 EJABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCC ZINC000007538056 563605070 /nfs/dbraw/zinc/60/50/70/563605070.db2.gz CJDDUUMOWZSTGJ-UHFFFAOYSA-N 1 0 333.859 4.736 40 0 EJABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCCc1ccccc1 ZINC000007540027 563605432 /nfs/dbraw/zinc/60/54/32/563605432.db2.gz NDVWXHXGIFQQPU-UHFFFAOYSA-N 1 0 339.479 4.739 40 0 EJABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccccc1F ZINC000008472237 563630963 /nfs/dbraw/zinc/63/09/63/563630963.db2.gz OMAUKJBVEAASOQ-UHFFFAOYSA-N 1 0 343.442 4.836 40 0 EJABRO O=C(Nc1c(Cl)cccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010330555 563647204 /nfs/dbraw/zinc/64/72/04/563647204.db2.gz XZDHCQCSOMWWGU-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccccc1C ZINC000016362747 563809715 /nfs/dbraw/zinc/80/97/15/563809715.db2.gz YIHWGKKYOWPXMC-UHFFFAOYSA-N 1 0 325.452 4.615 40 0 EJABRO Fc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000016480787 563812799 /nfs/dbraw/zinc/81/27/99/563812799.db2.gz ZRIGRZLTIFXSRR-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c(C)c1 ZINC000038833371 563922171 /nfs/dbraw/zinc/92/21/71/563922171.db2.gz CNZMHWCYLVVJPG-UHFFFAOYSA-N 1 0 336.479 4.932 40 0 EJABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1C ZINC000038833623 563922185 /nfs/dbraw/zinc/92/21/85/563922185.db2.gz KLJDVNRFZMKJCY-UHFFFAOYSA-N 1 0 336.479 4.932 40 0 EJABRO Cc1c(C(=O)C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc2n1C ZINC000013769335 563932890 /nfs/dbraw/zinc/93/28/90/563932890.db2.gz DWVYRXCRUOQLHN-AOMKIAJQSA-N 1 0 338.495 4.570 40 0 EJABRO c1coc(C[NH+]2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)c1 ZINC000096100172 563979212 /nfs/dbraw/zinc/97/92/12/563979212.db2.gz UVHIEMMZYRTZPS-UHFFFAOYSA-N 1 0 344.458 4.822 40 0 EJABRO C[N@@H+]1CCC[C@@H](COc2ccccc2Oc2ccc(Cl)cc2)C1 ZINC000585266176 563981157 /nfs/dbraw/zinc/98/11/57/563981157.db2.gz FFBAAGIQURPOSY-OAHLLOKOSA-N 1 0 331.843 4.853 40 0 EJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214462 563984740 /nfs/dbraw/zinc/98/47/40/563984740.db2.gz ONFCVLSVIBXOBE-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214859 563984978 /nfs/dbraw/zinc/98/49/78/563984978.db2.gz ZTZZOACQJFUUBY-QGZVFWFLSA-N 1 0 347.503 4.778 40 0 EJABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214935 563985025 /nfs/dbraw/zinc/98/50/25/563985025.db2.gz NMYGGXVYBRDZGX-KRWDZBQOSA-N 1 0 347.503 4.778 40 0 EJABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072215030 563985028 /nfs/dbraw/zinc/98/50/28/563985028.db2.gz UKMCBZDDGUOZNB-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072214970 563985057 /nfs/dbraw/zinc/98/50/57/563985057.db2.gz CYNQMNCHHKSXAC-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072215053 563985064 /nfs/dbraw/zinc/98/50/64/563985064.db2.gz NTHLSMBJSWCAGJ-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072215029 563985078 /nfs/dbraw/zinc/98/50/78/563985078.db2.gz UKMCBZDDGUOZNB-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215381 563985179 /nfs/dbraw/zinc/98/51/79/563985179.db2.gz FQZCDVMBIHVDSI-QGZVFWFLSA-N 1 0 345.487 4.531 40 0 EJABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215382 563985185 /nfs/dbraw/zinc/98/51/85/563985185.db2.gz FQZCDVMBIHVDSI-KRWDZBQOSA-N 1 0 345.487 4.531 40 0 EJABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215323 563985202 /nfs/dbraw/zinc/98/52/02/563985202.db2.gz PSIJHKTZHVLPQS-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216632 563985518 /nfs/dbraw/zinc/98/55/18/563985518.db2.gz QVJYCXWAFZLMSU-NRFANRHFSA-N 1 0 335.495 4.799 40 0 EJABRO CC(C)c1[nH+]c2ccc(Br)cn2c1NC1CCCCC1 ZINC000000319897 563996845 /nfs/dbraw/zinc/99/68/45/563996845.db2.gz ZKHSCOBAPYADKD-UHFFFAOYSA-N 1 0 336.277 4.965 40 0 EJABRO C[n+]1ccc(/C=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000004932911 564005636 /nfs/dbraw/zinc/00/56/36/564005636.db2.gz LGEMJZHPYYNIOQ-UHFFFAOYSA-N 1 0 343.425 4.824 40 0 EJABRO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000005996859 564014394 /nfs/dbraw/zinc/01/43/94/564014394.db2.gz ZMKDQRUQTJHQSA-KPKJPENVSA-N 1 0 340.854 4.588 40 0 EJABRO CCOc1cc(C[NH2+]C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254562 564016006 /nfs/dbraw/zinc/01/60/06/564016006.db2.gz VPNCUZBFRBIGFG-UHFFFAOYSA-N 1 0 340.250 4.691 40 0 EJABRO CSc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010368192 564017320 /nfs/dbraw/zinc/01/73/20/564017320.db2.gz VZAPMDFYOCYTBN-UHFFFAOYSA-N 1 0 340.492 4.647 40 0 EJABRO CCCC[C@H](CC)CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000224333364 564042406 /nfs/dbraw/zinc/04/24/06/564042406.db2.gz YVWUSEMEMDCNFC-MOPGFXCFSA-N 1 0 344.543 4.865 40 0 EJABRO C[C@H]([C@H](O)c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000031923533 564049979 /nfs/dbraw/zinc/04/99/79/564049979.db2.gz BOZCOAZLVQXGKP-XXBNENTESA-N 1 0 331.459 4.811 40 0 EJABRO C[C@@H]([C@@H](O)c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000031923526 564049990 /nfs/dbraw/zinc/04/99/90/564049990.db2.gz BOZCOAZLVQXGKP-WMZHIEFXSA-N 1 0 331.459 4.811 40 0 EJABRO Fc1cccc(Cc2cnc([C@@H]3CC[N@@H+](C4CCCCC4)C3)o2)c1 ZINC000257334441 564055657 /nfs/dbraw/zinc/05/56/57/564055657.db2.gz YFWOBTUMVPBXAC-MRXNPFEDSA-N 1 0 328.431 4.527 40 0 EJABRO C[C@@H]1CCCCN1[PH+](N1CCCC[C@H]1C)N1CCCC[C@H]1C ZINC000301054443 564061070 /nfs/dbraw/zinc/06/10/70/564061070.db2.gz NVXFGRFIRYCPGA-KZNAEPCWSA-N 1 0 325.481 4.837 40 0 EJABRO COCc1ccc([C@@H]2CCCN2[C@@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000248599802 564078671 /nfs/dbraw/zinc/07/86/71/564078671.db2.gz BWYMMIASFOEPAU-ZFWWWQNUSA-N 1 0 332.444 4.610 40 0 EJABRO C[N@@H+]1[C@H](c2ccccc2)C[C@H](O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000245380445 564097481 /nfs/dbraw/zinc/09/74/81/564097481.db2.gz ZIIZMWKPNMCHTR-CJRSTVEYSA-N 1 0 343.470 4.949 40 0 EJABRO FC(F)(F)c1cccc([C@H](OCC[NH+]2CCCC2)c2ccccc2)c1 ZINC000003640549 210070686 /nfs/dbraw/zinc/07/06/86/210070686.db2.gz OXZBMTDAPMORBJ-LJQANCHMSA-N 1 0 349.396 4.907 40 0 EJABRO CCc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038833678 213228508 /nfs/dbraw/zinc/22/85/08/213228508.db2.gz BLOGGEMKNNZJNX-UHFFFAOYSA-N 1 0 336.479 4.877 40 0 EJABRO Cc1cccc(C)c1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038833497 213227897 /nfs/dbraw/zinc/22/78/97/213227897.db2.gz IBVLBBLDMRFUFE-MRXNPFEDSA-N 1 0 336.479 4.788 40 0 EJABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](C)C)C=C3C)nc21 ZINC000072320792 202364372 /nfs/dbraw/zinc/36/43/72/202364372.db2.gz LHJLBECWATUPIX-FHWLQOOXSA-N 1 0 339.527 4.830 40 0 biogenic,in-vitro EJABRO Fc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000072357668 216164840 /nfs/dbraw/zinc/16/48/40/216164840.db2.gz IKUXFRYUDGFTKI-JOCHJYFZSA-N 1 0 347.437 4.544 40 0 EJABRO Fc1ccccc1-c1cccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348837 216160471 /nfs/dbraw/zinc/16/04/71/216160471.db2.gz YKNMOIKBNAFJTO-SFHVURJKSA-N 1 0 347.437 4.662 40 0 EJABRO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072348534 216160731 /nfs/dbraw/zinc/16/07/31/216160731.db2.gz WFZZZZIAHUZHLP-KRWDZBQOSA-N 1 0 336.479 4.879 40 0 EJABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000072357665 216164313 /nfs/dbraw/zinc/16/43/13/216164313.db2.gz DCSCIVLNWKWZFJ-QFIPXVFZSA-N 1 0 347.437 4.544 40 0 EJABRO COc1ccc([C@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2C2CC2)cc1 ZINC000072393374 216192333 /nfs/dbraw/zinc/19/23/33/216192333.db2.gz DGBGCXDKPZAEEX-AWEZNQCLSA-N 1 0 335.451 4.642 40 0 EJABRO c1ccc([C@@H](C[NH2+]CCN2CCCCCC2)C2CCCCC2)cc1 ZINC000022040746 212273317 /nfs/dbraw/zinc/27/33/17/212273317.db2.gz WBVPCUCDHWCFHA-JOCHJYFZSA-N 1 0 328.544 4.816 40 0 EJABRO C[NH2+]CCCNc1ccnc2c(Oc3ccccc3)ccc(Cl)c12 ZINC000222683840 241543102 /nfs/dbraw/zinc/54/31/02/241543102.db2.gz PXKGQZIARQNMHM-UHFFFAOYSA-N 1 0 341.842 4.702 40 0 EJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1 ZINC000020110773 212102371 /nfs/dbraw/zinc/10/23/71/212102371.db2.gz GBRHKKAGLPJOOB-OAHLLOKOSA-N 1 0 342.870 4.824 40 0 EJABRO COc1cc(C)c(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)cc1C ZINC000019567361 212043424 /nfs/dbraw/zinc/04/34/24/212043424.db2.gz FNKLWGBOXHNUFM-IBGZPJMESA-N 1 0 328.456 4.726 40 0 EJABRO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC000019345193 212019526 /nfs/dbraw/zinc/01/95/26/212019526.db2.gz KWOGBUGUEBNTRS-ZYSHUDEJSA-N 1 0 339.483 4.569 40 0 EJABRO Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000012337883 211351581 /nfs/dbraw/zinc/35/15/81/211351581.db2.gz OEONADRMHBXMJH-YRPNKDGESA-N 1 0 331.887 4.549 40 0 EJABRO COc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000009692065 211116892 /nfs/dbraw/zinc/11/68/92/211116892.db2.gz PFONEWCLHFLIKF-UHFFFAOYSA-N 1 0 348.446 4.602 40 0 EJABRO CCCCCC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000007260958 210775486 /nfs/dbraw/zinc/77/54/86/210775486.db2.gz AHQTYJGRUGNNPW-UHFFFAOYSA-N 1 0 344.293 4.526 40 0 EJABRO Cc1ccc(C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005625977 210504179 /nfs/dbraw/zinc/50/41/79/210504179.db2.gz OCXSAVQTZUMWDB-UHFFFAOYSA-N 1 0 339.870 4.904 40 0 EJABRO CC1=C[C@@H](C)[C@H](C[N@H+](CCO)C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@@H](C)C1 ZINC000004763836 210273922 /nfs/dbraw/zinc/27/39/22/210273922.db2.gz KUFAUZJRIITNBN-ZCPXKWAGSA-N 1 0 333.560 4.758 40 0 EJABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072214622 257688704 /nfs/dbraw/zinc/68/87/04/257688704.db2.gz CEANUQKXNJTBEP-QGZVFWFLSA-N 1 0 347.503 4.636 40 0 EJABRO C[NH+](C)[C@@H]1CCc2ccc3ccccc3c2[C@H]1OC(=O)c1ccccc1 ZINC000001569705 563392810 /nfs/dbraw/zinc/39/28/10/563392810.db2.gz KWZQTEDIPXRBIH-IRLDBZIGSA-N 1 0 345.442 4.614 40 0 EJABRO C[NH+](C)[C@H]1CCc2ccc3ccccc3c2[C@H]1OC(=O)c1ccccc1 ZINC000001569704 563392847 /nfs/dbraw/zinc/39/28/47/563392847.db2.gz KWZQTEDIPXRBIH-UNMCSNQZSA-N 1 0 345.442 4.614 40 0 EJABRO Cc1cccc(C[NH+](C)C)c1CC(O)(c1ccccc1)c1ccccc1 ZINC000001632683 563398149 /nfs/dbraw/zinc/39/81/49/563398149.db2.gz AZMGGIOWSZZIJB-UHFFFAOYSA-N 1 0 345.486 4.535 40 0 EJABRO CCCCC[N@H+](CCNc1cc(OC)cc2cccnc21)[C@H](C)CC ZINC000001656126 563399596 /nfs/dbraw/zinc/39/95/96/563399596.db2.gz SXUGOGFHPFVIOF-QGZVFWFLSA-N 1 0 343.515 4.946 40 0 EJABRO COc1cc2cc(C)cnc2c(NCC[NH+](CC(C)C)CC(C)C)c1 ZINC000001656160 563399965 /nfs/dbraw/zinc/39/99/65/563399965.db2.gz JEBKYMAMIUYOLC-UHFFFAOYSA-N 1 0 343.515 4.578 40 0 EJABRO CCC(=O)c1ccc2c(c1)N([C@@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000001678373 563402365 /nfs/dbraw/zinc/40/23/65/563402365.db2.gz DHNARGHLEOUOQR-AWEZNQCLSA-N 1 0 340.492 4.832 40 0 EJABRO CC[NH+](CC)C[C@@H](C)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698637 563404135 /nfs/dbraw/zinc/40/41/35/563404135.db2.gz RUSRLRVPPPZXLK-UTKZUKDTSA-N 1 0 345.914 4.748 40 0 EJABRO CC[NH+](CC)C[C@H](C)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698638 563404186 /nfs/dbraw/zinc/40/41/86/563404186.db2.gz RUSRLRVPPPZXLK-UWJYYQICSA-N 1 0 345.914 4.748 40 0 EJABRO C[C@@H](C[NH+]1CCCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698651 563404719 /nfs/dbraw/zinc/40/47/19/563404719.db2.gz SYKZFXRPVKSEHD-OXJNMPFZSA-N 1 0 335.919 4.840 40 0 EJABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@H+](CC)C1CCCCC1 ZINC000002694541 563445905 /nfs/dbraw/zinc/44/59/05/563445905.db2.gz HUHCJNJBZMWXPS-MJGOQNOKSA-N 1 0 333.516 4.594 40 0 EJABRO COc1cc2cccnc2c(NCCCCCC[C@@H]2CCCC[NH2+]2)c1 ZINC000004365384 563501520 /nfs/dbraw/zinc/50/15/20/563501520.db2.gz OSBGDIBTBPEXDD-GOSISDBHSA-N 1 0 341.499 4.748 40 0 EJABRO Cc1ccc([C@](O)(CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934794 563515632 /nfs/dbraw/zinc/51/56/32/563515632.db2.gz BXLMOHLIEPHHHR-HFMPRLQTSA-N 1 0 349.518 4.743 40 0 EJABRO CC[C@H](C)[N@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000005846377 563552154 /nfs/dbraw/zinc/55/21/54/563552154.db2.gz WHPDJWYEVDVBJH-KRWDZBQOSA-N 1 0 343.515 4.802 40 0 EJABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@H+](CC)C1CCCCC1 ZINC000006355901 563565637 /nfs/dbraw/zinc/56/56/37/563565637.db2.gz HUHCJNJBZMWXPS-IEBWSBKVSA-N 1 0 333.516 4.594 40 0 EJABRO C[NH+](C)[C@@H]1CCc2c3ccccc3ccc2[C@H]1OC(=O)c1ccccc1 ZINC000006437242 563568134 /nfs/dbraw/zinc/56/81/34/563568134.db2.gz MABOKCQFSCINST-FGZHOGPDSA-N 1 0 345.442 4.614 40 0 EJABRO COc1ccc(Br)cc1C[NH2+]C1CCCCCCC1 ZINC000007523312 563603934 /nfs/dbraw/zinc/60/39/34/563603934.db2.gz NYMCMVYSHQBYIQ-UHFFFAOYSA-N 1 0 326.278 4.660 40 0 EJABRO CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000008227193 563623925 /nfs/dbraw/zinc/62/39/25/563623925.db2.gz AVCBTFBUPGSYOF-UHFFFAOYSA-N 1 0 337.822 4.566 40 0 EJABRO CCOc1cc(C[NH2+]C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253937 563624698 /nfs/dbraw/zinc/62/46/98/563624698.db2.gz QHMILYPOUQSFGX-UHFFFAOYSA-N 1 0 340.250 4.691 40 0 EJABRO CCOc1ccc(Br)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000008324596 563626154 /nfs/dbraw/zinc/62/61/54/563626154.db2.gz PNPBCVGLPMFKTA-CYBMUJFWSA-N 1 0 334.257 4.699 40 0 EJABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(C)cc1 ZINC000008550127 563632287 /nfs/dbraw/zinc/63/22/87/563632287.db2.gz QZWRZGJCBHONFD-UHFFFAOYSA-N 1 0 325.452 4.615 40 0 EJABRO CCc1cccc(CC)c1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010333640 563647161 /nfs/dbraw/zinc/64/71/61/563647161.db2.gz FXOITOWUPOEJKB-UHFFFAOYSA-N 1 0 336.479 4.660 40 0 EJABRO O=C(Nc1ccc2ccccc2c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010336940 563647690 /nfs/dbraw/zinc/64/76/90/563647690.db2.gz SVRSQVAJTVAISS-UHFFFAOYSA-N 1 0 330.431 4.688 40 0 EJABRO CC1(C)c2ccccc2-c2nc3ccccc3cc2[C@@H]1[NH+]1CCOCC1 ZINC000013208965 563691974 /nfs/dbraw/zinc/69/19/74/563691974.db2.gz OBPAOOYHSBQACT-QFIPXVFZSA-N 1 0 344.458 4.566 40 0 EJABRO c1ccc(OC2CCCC2)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)c1 ZINC000013266950 563693485 /nfs/dbraw/zinc/69/34/85/563693485.db2.gz SHMDXZSSOSXTNJ-LAUBAEHRSA-N 1 0 334.463 4.665 40 0 EJABRO O=C(Nc1ccccc1)O[C@@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000013563637 563701735 /nfs/dbraw/zinc/70/17/35/563701735.db2.gz LURDPRCEUSFKGO-RNQOJCNYSA-N 1 0 342.483 4.668 40 0 EJABRO Fc1ccc(COc2ccccc2C[NH2+]CCc2ccccc2)cc1 ZINC000016479396 563812375 /nfs/dbraw/zinc/81/23/75/563812375.db2.gz IDVVPZQSBVQCTP-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO O=C(Nc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039772448 563900433 /nfs/dbraw/zinc/90/04/33/563900433.db2.gz NNFGCUPLSNGREB-UHFFFAOYSA-N 1 0 344.458 4.691 40 0 EJABRO O=C(NC1CCCCCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030944111 563911907 /nfs/dbraw/zinc/91/19/07/563911907.db2.gz TXYUVBCEUAYGLT-UHFFFAOYSA-N 1 0 342.527 4.905 40 0 EJABRO CCc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)s2)o1 ZINC000043277895 563925680 /nfs/dbraw/zinc/92/56/80/563925680.db2.gz VNNALVAURUFXHW-UHFFFAOYSA-N 1 0 343.496 4.501 40 0 EJABRO F/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1\C[NH+]2CCC1CC2 ZINC000083434042 563973456 /nfs/dbraw/zinc/97/34/56/563973456.db2.gz XNDCPFTULXRWQH-VHEBQXMUSA-N 1 0 336.410 4.649 40 0 EJABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072215211 563985123 /nfs/dbraw/zinc/98/51/23/563985123.db2.gz QMLMGOLARUOWJV-WBVHZDCISA-N 1 0 347.503 4.778 40 0 EJABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072215254 563985195 /nfs/dbraw/zinc/98/51/95/563985195.db2.gz AYUZVIXLECWNNY-RDJZCZTQSA-N 1 0 347.503 4.778 40 0 EJABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215324 563985221 /nfs/dbraw/zinc/98/52/21/563985221.db2.gz PSIJHKTZHVLPQS-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216128 563985494 /nfs/dbraw/zinc/98/54/94/563985494.db2.gz TXJVYQRUGVRPAO-OAQYLSRUSA-N 1 0 335.495 4.799 40 0 EJABRO Cc1nc(N2CCCc3ccccc32)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224968 563985854 /nfs/dbraw/zinc/98/58/54/563985854.db2.gz NTDKWKSJGHHPMJ-JOCHJYFZSA-N 1 0 329.447 4.522 40 0 EJABRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000005969219 564014371 /nfs/dbraw/zinc/01/43/71/564014371.db2.gz CNTMAGNCBCMPGD-UHFFFAOYSA-N 1 0 342.870 4.887 40 0 EJABRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1cccc(Cl)c1 ZINC000006882547 564015216 /nfs/dbraw/zinc/01/52/16/564015216.db2.gz XKRTVHSXHYUMOD-UHFFFAOYSA-N 1 0 333.859 4.816 40 0 EJABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C3CCCCCC3)o2)cc1 ZINC000007539273 564015618 /nfs/dbraw/zinc/01/56/18/564015618.db2.gz LRAMDLNHFPQMDS-UHFFFAOYSA-N 1 0 327.424 4.546 40 0 EJABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000008474485 564016210 /nfs/dbraw/zinc/01/62/10/564016210.db2.gz XVJBWDWEMFRJOI-UHFFFAOYSA-N 1 0 347.458 4.607 40 0 EJABRO COc1cc2c(cc1OC)[C@H](CCc1ccc(Cl)cc1)[N@H+](C)CC2 ZINC000000000485 564041926 /nfs/dbraw/zinc/04/19/26/564041926.db2.gz YBCPYHQFUMNOJG-SFHVURJKSA-N 1 0 345.870 4.519 40 0 in-man EJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)C1 ZINC000224332889 564042409 /nfs/dbraw/zinc/04/24/09/564042409.db2.gz QIQCSEPHUUNZCK-QGZVFWFLSA-N 1 0 344.543 4.863 40 0 EJABRO Cc1ccc(C[NH+]2CCC(C(=O)NC(C)(C)CC(C)(C)C)CC2)cc1 ZINC000224530300 564043050 /nfs/dbraw/zinc/04/30/50/564043050.db2.gz CGPTUBHIDULQDI-UHFFFAOYSA-N 1 0 344.543 4.538 40 0 EJABRO Fc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000257281565 564054636 /nfs/dbraw/zinc/05/46/36/564054636.db2.gz OPWIUZLVAZGWTA-KRWDZBQOSA-N 1 0 339.458 4.795 40 0 EJABRO c1ccc(-c2cccc[n+]2C2c3ccccc3Oc3ccccc32)nc1 ZINC000005595486 564066164 /nfs/dbraw/zinc/06/61/64/564066164.db2.gz KUIQJDAXEAUWKJ-UHFFFAOYSA-N 1 0 337.402 4.780 40 0 EJABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 ZINC000035442905 564083531 /nfs/dbraw/zinc/08/35/31/564083531.db2.gz FHERDDJXPCXICG-ZDUSSCGKSA-N 1 0 330.790 4.610 40 0 biogenic,in-vitro EJABRO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC000019345171 564127979 /nfs/dbraw/zinc/12/79/79/564127979.db2.gz KWOGBUGUEBNTRS-LZQZEXGQSA-N 1 0 339.483 4.569 40 0 EJABRO CC[NH+](CC)CCCOC(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000001726483 209786868 /nfs/dbraw/zinc/78/68/68/209786868.db2.gz XTJYWVDREYTMGV-FQEVSTJZSA-N 1 0 331.500 4.626 40 0 EJABRO CC(C)c1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cn1 ZINC000019454166 202008835 /nfs/dbraw/zinc/00/88/35/202008835.db2.gz KWOGUJMPTNNLDT-TUFLPTIASA-N 1 0 335.495 4.662 40 0 EJABRO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030866768 202200398 /nfs/dbraw/zinc/20/03/98/202200398.db2.gz LYHKDNBYXQTMKZ-GOSISDBHSA-N 1 0 348.490 4.510 40 0 EJABRO CCOc1cc(O)cc([C@@H](Cc2ccccc2)[NH2+]Cc2ccccc2)c1 ZINC000031923718 202213536 /nfs/dbraw/zinc/21/35/36/202213536.db2.gz VELFDPIFGLOMIY-HSZRJFAPSA-N 1 0 347.458 4.865 40 0 EJABRO C[C@@H]([NH2+]Cc1cccs1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000035313703 213021185 /nfs/dbraw/zinc/02/11/85/213021185.db2.gz URSLGXXGLWPYRJ-OAHLLOKOSA-N 1 0 336.460 4.532 40 0 EJABRO Clc1cccc(C[NH2+]CCCc2nc3ccccc3[nH]2)c1Cl ZINC000035287275 213018363 /nfs/dbraw/zinc/01/83/63/213018363.db2.gz FNJAVPOGMOMPBA-UHFFFAOYSA-N 1 0 334.250 4.592 40 0 EJABRO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072358347 216165777 /nfs/dbraw/zinc/16/57/77/216165777.db2.gz QIOSPXZHLBMQEN-GOSISDBHSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348925 216160554 /nfs/dbraw/zinc/16/05/54/216160554.db2.gz KBLNUCCYFBCFJU-SFHVURJKSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000072357666 216163436 /nfs/dbraw/zinc/16/34/36/216163436.db2.gz DCSCIVLNWKWZFJ-JOCHJYFZSA-N 1 0 347.437 4.544 40 0 EJABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357709 216163830 /nfs/dbraw/zinc/16/38/30/216163830.db2.gz PNMQPANAEKTVKD-QFIPXVFZSA-N 1 0 347.437 4.544 40 0 EJABRO Fc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072357680 216164060 /nfs/dbraw/zinc/16/40/60/216164060.db2.gz ZGJIPBREWVECMP-JOCHJYFZSA-N 1 0 347.437 4.544 40 0 EJABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(Cl)cc1Cl ZINC000023247844 212363615 /nfs/dbraw/zinc/36/36/15/212363615.db2.gz ZFDNUGCCWVYSJR-UHFFFAOYSA-N 1 0 343.323 4.619 40 0 EJABRO Cc1cc2nc(-c3ccc[n+](Cc4ccccc4F)c3)oc2cc1C ZINC000226307979 242096773 /nfs/dbraw/zinc/09/67/73/242096773.db2.gz JMPSZEJNJZUXCX-UHFFFAOYSA-N 1 0 333.386 4.587 40 0 EJABRO Fc1ccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000072358344 203205103 /nfs/dbraw/zinc/20/51/03/203205103.db2.gz ATUAVQMDCVJLMD-IBGZPJMESA-N 1 0 347.437 4.662 40 0 EJABRO CCOc1ccc2nc(Cl)c(C[NH2+]Cc3ccc(C)cc3)cc2c1 ZINC000013535374 211574070 /nfs/dbraw/zinc/57/40/70/211574070.db2.gz RANREAFKGJGHMD-UHFFFAOYSA-N 1 0 340.854 4.885 40 0 EJABRO Cc1cc2c(cc1C[NH2+]C1(c3ccc(Cl)cc3)CCC1)OCO2 ZINC000012361785 211355773 /nfs/dbraw/zinc/35/57/73/211355773.db2.gz BIAIBBSBRXDDQP-UHFFFAOYSA-N 1 0 329.827 4.546 40 0 EJABRO Cc1ccc([C@@H](CC[NH2+][C@H]2CCO[C@H](C(C)C)C2)c2ccco2)cc1 ZINC000009485881 211090887 /nfs/dbraw/zinc/09/08/87/211090887.db2.gz BGTUPBQBRXSYOP-VWPQPMDRSA-N 1 0 341.495 4.903 40 0 EJABRO COc1cc2cccnc2c(N[C@@H](C)C[NH+](CC(C)C)CC(C)C)c1 ZINC000005834703 210545698 /nfs/dbraw/zinc/54/56/98/210545698.db2.gz USEIZQSPHUMIPW-KRWDZBQOSA-N 1 0 343.515 4.658 40 0 EJABRO CCCC[NH+](CCCC)CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000005614900 210501361 /nfs/dbraw/zinc/50/13/61/210501361.db2.gz BPWVDSGHYJKNDR-UHFFFAOYSA-N 1 0 339.911 4.754 40 0 EJABRO Cc1cc(C)c2nc(Cl)c(C[NH2+]Cc3ccc(F)cc3)cc2c1 ZINC000005007987 210358751 /nfs/dbraw/zinc/35/87/51/210358751.db2.gz SYDSUARNQPXOFB-UHFFFAOYSA-N 1 0 328.818 4.934 40 0 EJABRO COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)([NH+](C)C)[C@@]3(C)CC[C@@H]21 ZINC000004900236 210316494 /nfs/dbraw/zinc/31/64/94/210316494.db2.gz IXZPZMBLHXZOLG-KNOXWWKRSA-N 1 0 327.512 4.872 40 0 EJABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000004887098 210311145 /nfs/dbraw/zinc/31/11/45/210311145.db2.gz OFKUSYBRPXZRKU-IHWFROFDSA-N 1 0 342.527 4.509 40 0 EJABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](SC(N)=[NH2+])CC[C@@]43C)[C@@H]1CCC2=O ZINC000118931214 221204799 /nfs/dbraw/zinc/20/47/99/221204799.db2.gz CHRVZSYISQNFKQ-NIDXHAAISA-N 1 0 346.540 4.514 40 0 EJABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072215784 257687819 /nfs/dbraw/zinc/68/78/19/257687819.db2.gz BHUCEVXYPVUGNT-KRWDZBQOSA-N 1 0 339.439 4.579 40 0 EJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)C1 ZINC000038755755 132397241 /nfs/dbraw/zinc/39/72/41/132397241.db2.gz AOEUVQNQWZGMKZ-GOSISDBHSA-N 1 0 348.490 4.512 40 0 EJABRO CC[NH+](CC)CCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000008569631 519086318 /nfs/dbraw/zinc/08/63/18/519086318.db2.gz NSVBACTXGDMKRJ-UHFFFAOYSA-N 1 0 327.859 4.699 40 0 EJABRO C[NH+](C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc21 ZINC000000001038 521806057 /nfs/dbraw/zinc/80/60/57/521806057.db2.gz QXRUCDDVUMKOPI-UHFFFAOYSA-N 1 0 340.492 4.879 40 0 in-man EJABRO CCc1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4)c3)nc2c1 ZINC000226308314 535832857 /nfs/dbraw/zinc/83/28/57/535832857.db2.gz VGGKLRKIVZCVSP-UHFFFAOYSA-N 1 0 333.386 4.532 40 0 EJABRO CC[NH+](CC)Cc1ccccc1COC(=O)c1cccc(Cl)c1 ZINC000001725105 563407700 /nfs/dbraw/zinc/40/77/00/563407700.db2.gz NRBLQUXXEBJELE-UHFFFAOYSA-N 1 0 331.843 4.539 40 0 EJABRO CC(=O)Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2[NH+](C)C ZINC000004975125 563516656 /nfs/dbraw/zinc/51/66/56/563516656.db2.gz AWZOSLOOJDUKIT-KRWDZBQOSA-N 1 0 335.234 4.583 40 0 EJABRO CCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000007261298 563598406 /nfs/dbraw/zinc/59/84/06/563598406.db2.gz BIAMRHUIOIHKJZ-UHFFFAOYSA-N 1 0 327.468 4.944 40 0 EJABRO CC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000008227180 563623471 /nfs/dbraw/zinc/62/34/71/563623471.db2.gz JAYHMTCKFRHNPV-UHFFFAOYSA-N 1 0 337.822 4.566 40 0 EJABRO CCCC[NH+](CCCC)Cc1c(C)[nH]c2cc(OC)ccc2c1=O ZINC000008581448 563649238 /nfs/dbraw/zinc/64/92/38/563649238.db2.gz ZWWQCBHVDHZKGR-UHFFFAOYSA-N 1 0 330.472 4.660 40 0 EJABRO CCn1ncc(C[N@H+](CCc2ccccc2)Cc2cccs2)c1C ZINC000012291807 563657327 /nfs/dbraw/zinc/65/73/27/563657327.db2.gz KWXQAXCPXOWSDU-UHFFFAOYSA-N 1 0 339.508 4.518 40 0 EJABRO CC(C)(Cc1ccccc1)[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000014982449 563770462 /nfs/dbraw/zinc/77/04/62/563770462.db2.gz WVZRWNPPXYLQBI-IBGZPJMESA-N 1 0 329.871 4.735 40 0 EJABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccccc1 ZINC000016214877 563806073 /nfs/dbraw/zinc/80/60/73/563806073.db2.gz ULQXSROAJQYHNO-UHFFFAOYSA-N 1 0 347.458 4.607 40 0 EJABRO CC[NH+](CC)CCOc1ccccc1/C=C/c1noc2ccccc12 ZINC000016952080 563826527 /nfs/dbraw/zinc/82/65/27/563826527.db2.gz XCCTZLPFLYIKIJ-BUHFOSPRSA-N 1 0 336.435 4.719 40 0 EJABRO C[NH2+][C@H]1C(c2ccc(C)cc2)=NN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000031638238 563912898 /nfs/dbraw/zinc/91/28/98/563912898.db2.gz HDSOFYVWMRYEQH-XZOQPEGZSA-N 1 0 341.458 4.549 40 0 EJABRO Clc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccs1 ZINC000043277779 563925666 /nfs/dbraw/zinc/92/56/66/563925666.db2.gz QWLJKPGASPSKGF-UHFFFAOYSA-N 1 0 345.899 4.691 40 0 EJABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3CC3CCCCC3)o2)s1 ZINC000060016740 563949510 /nfs/dbraw/zinc/94/95/10/563949510.db2.gz SOLCJGSERISRDY-HNNXBMFYSA-N 1 0 331.485 4.824 40 0 EJABRO c1ccc(SCc2ccc(CCCC[NH+]3CCOCC3)cc2)cc1 ZINC000068606104 563963286 /nfs/dbraw/zinc/96/32/86/563963286.db2.gz HYALAZKVNGORNL-UHFFFAOYSA-N 1 0 341.520 4.634 40 0 EJABRO CC[NH+](CC)CCOc1cccc(F)c1Oc1cccc(Cl)c1 ZINC000585265122 563981088 /nfs/dbraw/zinc/98/10/88/563981088.db2.gz GXMSNGTVUQAWIE-UHFFFAOYSA-N 1 0 337.822 4.992 40 0 EJABRO C[N@@H+]1CCC[C@H](COc2ccccc2Oc2cccc(Cl)c2)C1 ZINC000585266246 563981138 /nfs/dbraw/zinc/98/11/38/563981138.db2.gz XSNVOEVYVIXECG-HNNXBMFYSA-N 1 0 331.843 4.853 40 0 EJABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000072215635 563984378 /nfs/dbraw/zinc/98/43/78/563984378.db2.gz DOPSODROKTXFPQ-QGZVFWFLSA-N 1 0 345.487 4.580 40 0 EJABRO c1ccc(COc2ccc([C@H]3CCC[N@@H+]3Cc3ccccc3)cn2)cc1 ZINC000072212008 563984462 /nfs/dbraw/zinc/98/44/62/563984462.db2.gz FITSZYCSTWFXNF-JOCHJYFZSA-N 1 0 344.458 4.998 40 0 EJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214804 563984912 /nfs/dbraw/zinc/98/49/12/563984912.db2.gz UQSBIEQAUXXFJN-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214857 563985015 /nfs/dbraw/zinc/98/50/15/563985015.db2.gz XTBLHYOCGLBWKN-QGZVFWFLSA-N 1 0 347.503 4.777 40 0 EJABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072214969 563985034 /nfs/dbraw/zinc/98/50/34/563985034.db2.gz CYNQMNCHHKSXAC-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072215052 563985087 /nfs/dbraw/zinc/98/50/87/563985087.db2.gz NTHLSMBJSWCAGJ-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214934 563985094 /nfs/dbraw/zinc/98/50/94/563985094.db2.gz NMYGGXVYBRDZGX-QGZVFWFLSA-N 1 0 347.503 4.778 40 0 EJABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072215213 563985157 /nfs/dbraw/zinc/98/51/57/563985157.db2.gz QMLMGOLARUOWJV-NVXWUHKLSA-N 1 0 347.503 4.778 40 0 EJABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215321 563985211 /nfs/dbraw/zinc/98/52/11/563985211.db2.gz UOKFWWIALNJGJJ-QGZVFWFLSA-N 1 0 345.487 4.531 40 0 EJABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215384 563985227 /nfs/dbraw/zinc/98/52/27/563985227.db2.gz SWHUKGBUQJKKHC-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215457 563985305 /nfs/dbraw/zinc/98/53/05/563985305.db2.gz WGMWVMSCMGZMBR-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[NH2+]2)cn1)C1CCCC1 ZINC000072215575 563985378 /nfs/dbraw/zinc/98/53/78/563985378.db2.gz AWYAJPGLBAXHPW-QGZVFWFLSA-N 1 0 345.487 4.580 40 0 EJABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072215844 563985441 /nfs/dbraw/zinc/98/54/41/563985441.db2.gz IFXNTGPOPVPBNS-KRWDZBQOSA-N 1 0 339.439 4.579 40 0 EJABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCC[NH2+]1 ZINC000072215845 563985445 /nfs/dbraw/zinc/98/54/45/563985445.db2.gz IFXNTGPOPVPBNS-QGZVFWFLSA-N 1 0 339.439 4.579 40 0 EJABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000072215725 563985462 /nfs/dbraw/zinc/98/54/62/563985462.db2.gz SYRHVDDEAHBWMH-QGZVFWFLSA-N 1 0 345.487 4.580 40 0 EJABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216129 563985479 /nfs/dbraw/zinc/98/54/79/563985479.db2.gz TXJVYQRUGVRPAO-NRFANRHFSA-N 1 0 335.495 4.799 40 0 EJABRO Cc1nc(N2CCCc3ccccc32)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224969 563985883 /nfs/dbraw/zinc/98/58/83/563985883.db2.gz NTDKWKSJGHHPMJ-QFIPXVFZSA-N 1 0 329.447 4.522 40 0 EJABRO CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(Cl)cc1)C2 ZINC000004886500 564005476 /nfs/dbraw/zinc/00/54/76/564005476.db2.gz PCNLGMFHADPQSV-AYHJJNSGSA-N 1 0 349.906 4.503 40 0 EJABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2ccccc21 ZINC000006000214 564014407 /nfs/dbraw/zinc/01/44/07/564014407.db2.gz CYZNLGAHGASPID-UHFFFAOYSA-N 1 0 330.431 4.688 40 0 EJABRO COc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccccc1Cl ZINC000006882593 564015197 /nfs/dbraw/zinc/01/51/97/564015197.db2.gz QXYYQUUEOTXVEO-UHFFFAOYSA-N 1 0 333.859 4.816 40 0 EJABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)c3ccccc3)o2)cc1 ZINC000007519763 564015570 /nfs/dbraw/zinc/01/55/70/564015570.db2.gz LURVNKLWPQGTRF-MRXNPFEDSA-N 1 0 349.430 4.974 40 0 EJABRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)c3ccccc3)o2)cc1 ZINC000007538810 564015629 /nfs/dbraw/zinc/01/56/29/564015629.db2.gz OPDHHCWBHYXYCA-OAHLLOKOSA-N 1 0 335.403 4.584 40 0 EJABRO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCc1cccs1 ZINC000008254732 564015990 /nfs/dbraw/zinc/01/59/90/564015990.db2.gz MNCJNTDNIKZKIA-UHFFFAOYSA-N 1 0 331.481 4.758 40 0 EJABRO CCOc1c(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cccc1OC ZINC000008253477 564016017 /nfs/dbraw/zinc/01/60/17/564016017.db2.gz NUFJNZPXENABQX-BZSISCHUSA-N 1 0 343.511 4.788 40 0 EJABRO CCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OC ZINC000008324677 564016113 /nfs/dbraw/zinc/01/61/13/564016113.db2.gz PVCCVMIOEVEYPW-QFWMWPAFSA-N 1 0 343.511 4.933 40 0 EJABRO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008326665 564016116 /nfs/dbraw/zinc/01/61/16/564016116.db2.gz PXGWCYPBORPPQE-AWEZNQCLSA-N 1 0 333.859 4.816 40 0 EJABRO COc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OC ZINC000008534547 564016317 /nfs/dbraw/zinc/01/63/17/564016317.db2.gz SYWAKJAOXDZPHT-LVBDODCMSA-N 1 0 329.484 4.542 40 0 EJABRO C[C@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000012556110 564018612 /nfs/dbraw/zinc/01/86/12/564018612.db2.gz GWNYATQURCVOGA-GZMOKQHVSA-N 1 0 347.543 4.767 40 0 EJABRO Cc1ccc2oc([C@H]3CC[N@H+](Cc4cnc5ccccc5c4)C3)nc2c1 ZINC000049168833 564032524 /nfs/dbraw/zinc/03/25/24/564032524.db2.gz YQWSEHBOTRWGLU-SFHVURJKSA-N 1 0 343.430 4.674 40 0 biogenic,in-vitro EJABRO C[C@H]([NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022076591 564034216 /nfs/dbraw/zinc/03/42/16/564034216.db2.gz VZRPVBFYVPJKMO-VBKZILBWSA-N 1 0 341.838 4.812 40 0 EJABRO Cc1cc(NCCC[NH3+])c2c(Cl)ccc(Oc3ccccc3)c2n1 ZINC000222692760 564037505 /nfs/dbraw/zinc/03/75/05/564037505.db2.gz JGQSBXHQMDPHHP-UHFFFAOYSA-N 1 0 341.842 4.750 40 0 EJABRO c1ccc(-c2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccc2)cc1 ZINC000223812751 564040910 /nfs/dbraw/zinc/04/09/10/564040910.db2.gz LAHBMYVOMXWNOJ-UHFFFAOYSA-N 1 0 348.429 4.969 40 0 EJABRO CCCC[C@H](CC)CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000224331104 564042430 /nfs/dbraw/zinc/04/24/30/564042430.db2.gz YIGCPSKLMAROCQ-IBGZPJMESA-N 1 0 344.543 4.865 40 0 EJABRO Cc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c(C(C)(C)C)c1 ZINC000026781096 564057168 /nfs/dbraw/zinc/05/71/68/564057168.db2.gz VXSBUIYULIZAJS-KRWDZBQOSA-N 1 0 349.559 4.837 40 0 EJABRO CC(C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329049012 564071917 /nfs/dbraw/zinc/07/19/17/564071917.db2.gz ULPDIXHGJWJOJA-UHFFFAOYSA-N 1 0 344.890 4.636 40 0 EJABRO Fc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000016480424 564074436 /nfs/dbraw/zinc/07/44/36/564074436.db2.gz GRMDJEMDVKLMGI-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO Fc1ccc2oc([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000035446899 564083550 /nfs/dbraw/zinc/08/35/50/564083550.db2.gz PJMKCPOXLPKRES-ZDUSSCGKSA-N 1 0 330.790 4.610 40 0 biogenic,in-vitro EJABRO CCOc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008324714 564090802 /nfs/dbraw/zinc/09/08/02/564090802.db2.gz DDHLGWJQGGGODY-PFAOJVKKSA-N 1 0 343.511 4.788 40 0 EJABRO O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010333133 564127753 /nfs/dbraw/zinc/12/77/53/564127753.db2.gz RXSBINFXHFLVCT-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO O=C(Nc1cccc(Cl)c1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010357401 564127766 /nfs/dbraw/zinc/12/77/66/564127766.db2.gz FYXBPVPZHUBXCT-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(Cl)ccc21 ZINC000038895767 213229408 /nfs/dbraw/zinc/22/94/08/213229408.db2.gz COAPWBUTTSOWLG-IBGZPJMESA-N 1 0 333.834 4.595 40 0 in-vitro EJABRO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000038833692 213228016 /nfs/dbraw/zinc/22/80/16/213228016.db2.gz ADLWNTZVQMQLTH-FQEVSTJZSA-N 1 0 336.479 4.661 40 0 EJABRO Cc1ccc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038833433 213228022 /nfs/dbraw/zinc/22/80/22/213228022.db2.gz ZJIVXZDOLGKFBE-KRWDZBQOSA-N 1 0 336.479 4.788 40 0 EJABRO Cc1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000038833432 213228120 /nfs/dbraw/zinc/22/81/20/213228120.db2.gz XBMFKKIAXSUNOB-UHFFFAOYSA-N 1 0 336.479 4.932 40 0 EJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000038773214 213225238 /nfs/dbraw/zinc/22/52/38/213225238.db2.gz GKDSPYHSVNMXJU-UHFFFAOYSA-N 1 0 342.870 4.824 40 0 EJABRO Cc1ccc2oc([C@H]3CC[N@H+](Cc4cc5ccccc5o4)C3)nc2c1 ZINC000035446519 213029038 /nfs/dbraw/zinc/02/90/38/213029038.db2.gz JTBIVRRHMMNHNR-INIZCTEOSA-N 1 0 332.403 4.872 40 0 biogenic,in-vitro EJABRO CC(C)[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359299 216165826 /nfs/dbraw/zinc/16/58/26/216165826.db2.gz MQJAKPTUTFTZPN-OAHLLOKOSA-N 1 0 349.400 4.750 40 0 EJABRO CC(C)[NH+]1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359297 216165998 /nfs/dbraw/zinc/16/59/98/216165998.db2.gz ITQRDTVBHNPWTR-UHFFFAOYSA-N 1 0 349.400 4.750 40 0 EJABRO Fc1ccccc1-c1cccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072348801 216161072 /nfs/dbraw/zinc/16/10/72/216161072.db2.gz SEDZGKUARVGQTB-SFHVURJKSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348926 216161155 /nfs/dbraw/zinc/16/11/55/216161155.db2.gz KBLNUCCYFBCFJU-GOSISDBHSA-N 1 0 347.437 4.662 40 0 EJABRO CCC[C@@](O)(c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000027241997 212550984 /nfs/dbraw/zinc/55/09/84/212550984.db2.gz FZFRYOBRYWNHTG-DHIUTWEWSA-N 1 0 337.507 4.944 40 0 EJABRO CCc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000022522736 212304868 /nfs/dbraw/zinc/30/48/68/212304868.db2.gz FCWSAOBZWMBSIM-KRWDZBQOSA-N 1 0 336.479 4.733 40 0 EJABRO CCn1c2ccccc2c2cc(C[NH2+]C[C@@H](O)c3ccccc3)ccc21 ZINC000022076208 212276552 /nfs/dbraw/zinc/27/65/52/212276552.db2.gz ZNJQJKYNVCKKJV-HSZRJFAPSA-N 1 0 344.458 4.638 40 0 EJABRO CC(C)[NH+](C[C@H](c1ccccc1)[C@@](C)(O)c1ccccc1)C(C)C ZINC000001670732 201516553 /nfs/dbraw/zinc/51/65/53/201516553.db2.gz PKBJERGOXGFAOR-YADHBBJMSA-N 1 0 325.496 4.797 40 0 EJABRO CC[NH+](CC)CCOc1ccccc1/C=C\c1noc2ccccc12 ZINC000005758991 201662419 /nfs/dbraw/zinc/66/24/19/201662419.db2.gz XCCTZLPFLYIKIJ-YPKPFQOOSA-N 1 0 336.435 4.719 40 0 EJABRO c1ccc([C@H](C[NH2+]CCN2CCCCCC2)C2CCCCC2)cc1 ZINC000019365477 212021614 /nfs/dbraw/zinc/02/16/14/212021614.db2.gz WBVPCUCDHWCFHA-QFIPXVFZSA-N 1 0 328.544 4.816 40 0 EJABRO C[C@@H](C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000012129023 211299649 /nfs/dbraw/zinc/29/96/49/211299649.db2.gz DOQOMEKCWYPGBU-ORYQWCPZSA-N 1 0 349.453 4.536 40 0 EJABRO CCCC[NH+](CCCC)C[C@@H](O)c1c(OC)ccc2ccccc21 ZINC000005973430 210569765 /nfs/dbraw/zinc/56/97/65/210569765.db2.gz UTEIXKKLYFGUNY-LJQANCHMSA-N 1 0 329.484 4.784 40 0 EJABRO Cc1cc(/C=C\C2=[N+](C)c3ccccc3C2(C)C)c(O)c2ncccc12 ZINC000004919505 210323581 /nfs/dbraw/zinc/32/35/81/210323581.db2.gz UFFRGWXWWPRXTQ-UHFFFAOYSA-O 1 0 343.450 4.968 40 0 EJABRO COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)([NH+](C)C)[C@]3(C)CC[C@H]21 ZINC000004900232 210316720 /nfs/dbraw/zinc/31/67/20/210316720.db2.gz IXZPZMBLHXZOLG-CDJZJNNCSA-N 1 0 327.512 4.872 40 0 EJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214460 257689745 /nfs/dbraw/zinc/68/97/45/257689745.db2.gz UYEGIPATYIFYGT-QGZVFWFLSA-N 1 0 347.503 4.636 40 0 EJABRO Cc1cc(Cl)cc2c(=O)c(C[N@@H+](C)C3CCCCC3)c(C)[nH]c12 ZINC000000150502 563246018 /nfs/dbraw/zinc/24/60/18/563246018.db2.gz XVYPFEYOZFHXSQ-UHFFFAOYSA-N 1 0 332.875 4.975 40 0 EJABRO C[C@@H](OC(=O)C[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000001569404 563392765 /nfs/dbraw/zinc/39/27/65/563392765.db2.gz WWFXXOLLBWVWJA-WIYYLYMNSA-N 1 0 337.463 4.908 40 0 EJABRO C[NH+](C)[C@@H]1CCc2ccc3ccccc3c2[C@@H]1OC(=O)c1ccccc1 ZINC000001569707 563392870 /nfs/dbraw/zinc/39/28/70/563392870.db2.gz KWZQTEDIPXRBIH-IFMALSPDSA-N 1 0 345.442 4.614 40 0 EJABRO CCC(=O)C1(CCC[NH+](C)C)c2ccccc2Sc2ccccc21 ZINC000001713959 563406423 /nfs/dbraw/zinc/40/64/23/563406423.db2.gz UMHMETXZINDEPA-UHFFFAOYSA-N 1 0 339.504 4.758 40 0 EJABRO CC[NH+](CC)CCCCCCNc1cc(OC)cc2cccnc21 ZINC000001729636 563407938 /nfs/dbraw/zinc/40/79/38/563407938.db2.gz AQOLDVFUTYGJGY-UHFFFAOYSA-N 1 0 329.488 4.558 40 0 EJABRO CCCCCCC([NH3+])(CCCCCC)C(=O)Nn1c(C)ccc1C ZINC000005782574 563550041 /nfs/dbraw/zinc/55/00/41/563550041.db2.gz SYDFYTUGXOUCAB-UHFFFAOYSA-N 1 0 335.536 4.813 40 0 EJABRO C[NH+](C)[C@H]1CCc2c3ccccc3ccc2[C@H]1OC(=O)c1ccccc1 ZINC000006437270 563567966 /nfs/dbraw/zinc/56/79/66/563567966.db2.gz MABOKCQFSCINST-FCHUYYIVSA-N 1 0 345.442 4.614 40 0 EJABRO CCCCC[NH2+]Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000007261226 563598298 /nfs/dbraw/zinc/59/82/98/563598298.db2.gz BVLPTTXQAAPDLT-UHFFFAOYSA-N 1 0 344.293 4.526 40 0 EJABRO Brc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1 ZINC000007524876 563604300 /nfs/dbraw/zinc/60/43/00/563604300.db2.gz SMCMDCBYSNGJOQ-UHFFFAOYSA-N 1 0 342.236 4.999 40 0 EJABRO CCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000008324845 563626463 /nfs/dbraw/zinc/62/64/63/563626463.db2.gz PVXKFHLHFXFGCK-UHFFFAOYSA-N 1 0 329.484 4.542 40 0 EJABRO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008326026 563626561 /nfs/dbraw/zinc/62/65/61/563626561.db2.gz BCEFZMJGUVIFCC-CQSZACIVSA-N 1 0 333.859 4.816 40 0 EJABRO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccc(F)cc1 ZINC000008495363 563631117 /nfs/dbraw/zinc/63/11/17/563631117.db2.gz QTPZSBFYBNSVML-UHFFFAOYSA-N 1 0 343.442 4.836 40 0 EJABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000008550151 563632299 /nfs/dbraw/zinc/63/22/99/563632299.db2.gz MERZZZCPASJELC-UHFFFAOYSA-N 1 0 347.458 4.872 40 0 EJABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1cccc(C)c1 ZINC000016349360 563809258 /nfs/dbraw/zinc/80/92/58/563809258.db2.gz LLBFUJWAOHIZIX-UHFFFAOYSA-N 1 0 347.458 4.872 40 0 EJABRO Fc1ccc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000016399584 563810530 /nfs/dbraw/zinc/81/05/30/563810530.db2.gz TZUVMDMYXTZMMA-UHFFFAOYSA-N 1 0 339.385 4.834 40 0 EJABRO Fc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2F)cc1 ZINC000016449740 563811734 /nfs/dbraw/zinc/81/17/34/563811734.db2.gz NBRIRSCKFMXNCY-UHFFFAOYSA-N 1 0 339.385 4.834 40 0 EJABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2ccc(F)c(F)c2)nc1 ZINC000019215470 563854791 /nfs/dbraw/zinc/85/47/91/563854791.db2.gz ALNRCXVLPUNXRI-IBGZPJMESA-N 1 0 344.430 4.803 40 0 EJABRO O=C(NCCC1=CCCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038852445 563922323 /nfs/dbraw/zinc/92/23/23/563922323.db2.gz VDGQOHSDBAKGGA-UHFFFAOYSA-N 1 0 340.511 4.683 40 0 EJABRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](C2CCCCCCCCCC2)N1 ZINC000054363785 563932854 /nfs/dbraw/zinc/93/28/54/563932854.db2.gz NNXUGAQFGWAHOL-GOSISDBHSA-N 1 0 339.487 4.615 40 0 EJABRO c1ccc(Cn2c(CCC[NH+]3CCCCC3)nc3ccccc32)cc1 ZINC000076555479 563968073 /nfs/dbraw/zinc/96/80/73/563968073.db2.gz UHTGKQZVECYUQD-UHFFFAOYSA-N 1 0 333.479 4.503 40 0 EJABRO C[C@@H]1CC2=C(C[C@H]1[C@H]1OC[C@@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000085867330 563973998 /nfs/dbraw/zinc/97/39/98/563973998.db2.gz GWNYATQURCVOGA-VELGLUOQSA-N 1 0 347.543 4.767 40 0 EJABRO CO[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccc(C)cc21 ZINC000096100194 563979203 /nfs/dbraw/zinc/97/92/03/563979203.db2.gz MQNRSTFMNOKCLC-OAQYLSRUSA-N 1 0 339.454 4.759 40 0 EJABRO c1ccc(CCC[N@@H+]2CCC[C@@]23CCCN(Cc2ccccc2)C3)cc1 ZINC000096214645 563980234 /nfs/dbraw/zinc/98/02/34/563980234.db2.gz VTTLWTDQPJUEMZ-XMMPIXPASA-N 1 0 348.534 4.750 40 0 EJABRO COc1ccc2c(c1Oc1ccccc1)[C@]13CC=CC=C1[C@H](C2)[NH2+]CC3 ZINC000096316413 563980729 /nfs/dbraw/zinc/98/07/29/563980729.db2.gz YGXWFNJFMMVROW-CVDCTZTESA-N 1 0 345.442 4.530 40 0 biogenic,in-vitro EJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214342 563984729 /nfs/dbraw/zinc/98/47/29/563984729.db2.gz NBVJOEGQUUHYNH-MRXNPFEDSA-N 1 0 333.476 4.756 40 0 EJABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214638 563984826 /nfs/dbraw/zinc/98/48/26/563984826.db2.gz XQMYNHXSBAPFDD-KRWDZBQOSA-N 1 0 347.503 4.778 40 0 EJABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072214639 563984850 /nfs/dbraw/zinc/98/48/50/563984850.db2.gz XQMYNHXSBAPFDD-QGZVFWFLSA-N 1 0 347.503 4.778 40 0 EJABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072214818 563984962 /nfs/dbraw/zinc/98/49/62/563984962.db2.gz LKNDHZIXVWMKDK-KRWDZBQOSA-N 1 0 347.503 4.778 40 0 EJABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214920 563985049 /nfs/dbraw/zinc/98/50/49/563985049.db2.gz ZMYXMXQRXRKZNR-KRWDZBQOSA-N 1 0 347.503 4.778 40 0 EJABRO C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215547 563985274 /nfs/dbraw/zinc/98/52/74/563985274.db2.gz HGRQBAFJBFWAEJ-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215517 563985280 /nfs/dbraw/zinc/98/52/80/563985280.db2.gz LRRWUBQCVGOCJK-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO Cc1cc(N2CCCC2)ncc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218886 563985679 /nfs/dbraw/zinc/98/56/79/563985679.db2.gz JBWLFTHCNTYOLO-NRFANRHFSA-N 1 0 335.495 4.717 40 0 EJABRO Clc1ccc2[nH]c(C3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000005626368 564014229 /nfs/dbraw/zinc/01/42/29/564014229.db2.gz OZUGAJOHPMGBEQ-UHFFFAOYSA-N 1 0 325.843 4.596 40 0 EJABRO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1cccs1 ZINC000006883546 564015202 /nfs/dbraw/zinc/01/52/02/564015202.db2.gz SUEWHZJGXUFVDZ-UHFFFAOYSA-N 1 0 339.888 4.735 40 0 EJABRO COc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccc(Cl)cc1 ZINC000006882589 564015204 /nfs/dbraw/zinc/01/52/04/564015204.db2.gz DJLBSGBEXQNADG-UHFFFAOYSA-N 1 0 333.859 4.816 40 0 EJABRO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000007261640 564015417 /nfs/dbraw/zinc/01/54/17/564015417.db2.gz BURYXYSRWDJHLH-UHFFFAOYSA-N 1 0 333.859 4.817 40 0 EJABRO CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000007262329 564015468 /nfs/dbraw/zinc/01/54/68/564015468.db2.gz VYHWGFNASWVUBD-UHFFFAOYSA-N 1 0 337.822 4.566 40 0 EJABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1 ZINC000007519676 564015563 /nfs/dbraw/zinc/01/55/63/564015563.db2.gz VFPDTETWAGGTBS-UHFFFAOYSA-N 1 0 327.424 4.546 40 0 EJABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CCCCCC3)o2)cc1 ZINC000007520522 564015588 /nfs/dbraw/zinc/01/55/88/564015588.db2.gz UPZPHXSWKCEXQV-UHFFFAOYSA-N 1 0 341.451 4.936 40 0 EJABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(C)cc3)o2)cc1 ZINC000007538201 564015599 /nfs/dbraw/zinc/01/55/99/564015599.db2.gz OBFJBPORPLRVRF-UHFFFAOYSA-N 1 0 349.430 4.722 40 0 EJABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OC ZINC000008254365 564015991 /nfs/dbraw/zinc/01/59/91/564015991.db2.gz FCEVJSWCLGUBGU-PFAOJVKKSA-N 1 0 343.511 4.788 40 0 EJABRO CC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008227170 564016010 /nfs/dbraw/zinc/01/60/10/564016010.db2.gz DAHVZDQYNXISOY-UHFFFAOYSA-N 1 0 340.250 4.691 40 0 EJABRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000049168896 564032516 /nfs/dbraw/zinc/03/25/16/564032516.db2.gz RVRFZFBILLZJFV-AWEZNQCLSA-N 1 0 346.352 4.836 40 0 biogenic,in-vitro EJABRO Fc1ccc(C[N@H+]2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000138165387 564067368 /nfs/dbraw/zinc/06/73/68/564067368.db2.gz IJOBYVQRNGEHJQ-UHFFFAOYSA-N 1 0 342.801 4.910 40 0 EJABRO COc1ccc(C[NH2+]Cc2cc3cc(C)c(C)cc3nc2Cl)cc1 ZINC000013535423 564074272 /nfs/dbraw/zinc/07/42/72/564074272.db2.gz UIPJVMKBWUGQDE-UHFFFAOYSA-N 1 0 340.854 4.803 40 0 EJABRO Cc1c(C)c(O)c(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1C=O ZINC000017146169 564116522 /nfs/dbraw/zinc/11/65/22/564116522.db2.gz PDIQUVDUDKEUMK-UHFFFAOYSA-O 1 0 334.439 4.541 40 0 EJABRO c1ccc(Nc2nc(-c3ccccc3)[n+](-c3ccccc3)s2)cc1 ZINC000002666125 568417752 /nfs/dbraw/zinc/41/77/52/568417752.db2.gz MWKGMZRDURKJEZ-UHFFFAOYSA-O 1 0 330.436 4.830 40 0 EJABRO CC(C)CCC(CCC(C)C)[NH2+]C[C@H](C)OC(=O)c1ccc(N)cc1 ZINC000001709210 209785324 /nfs/dbraw/zinc/78/53/24/209785324.db2.gz TWVTWCBIIFGPRH-KRWDZBQOSA-N 1 0 348.531 4.645 40 0 EJABRO Cc1cc(C)cc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000038833561 213228105 /nfs/dbraw/zinc/22/81/05/213228105.db2.gz CMKXJLNDTMBZNS-UHFFFAOYSA-N 1 0 336.479 4.788 40 0 EJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000020490818 202045454 /nfs/dbraw/zinc/04/54/54/202045454.db2.gz UQAWOYSLLJVEPP-UHFFFAOYSA-N 1 0 342.870 4.824 40 0 EJABRO COc1ccc(CC[NH2+]Cc2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000022076587 202078799 /nfs/dbraw/zinc/07/87/99/202078799.db2.gz AUUDTDGXKPQBMH-UHFFFAOYSA-N 1 0 341.838 4.941 40 0 EJABRO Fc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072357679 216164792 /nfs/dbraw/zinc/16/47/92/216164792.db2.gz ZGJIPBREWVECMP-QFIPXVFZSA-N 1 0 347.437 4.544 40 0 EJABRO Cc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072357676 216165024 /nfs/dbraw/zinc/16/50/24/216165024.db2.gz UPVLEXGNBMIXTI-HSZRJFAPSA-N 1 0 343.474 4.713 40 0 EJABRO CC[NH+](CC)CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022076870 212277109 /nfs/dbraw/zinc/27/71/09/212277109.db2.gz NBUMFHHPGRMBMZ-UHFFFAOYSA-N 1 0 341.282 4.685 40 0 EJABRO Cc1cccnc1Nc1cccc(C2CC[NH+](C3CCCC3)CC2)n1 ZINC000257231437 244213333 /nfs/dbraw/zinc/21/33/33/244213333.db2.gz GGQUBKLYHINPAU-UHFFFAOYSA-N 1 0 336.483 4.651 40 0 EJABRO C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072348590 203203436 /nfs/dbraw/zinc/20/34/36/203203436.db2.gz BMIVVMOFVFPHCS-OAHLLOKOSA-N 1 0 334.385 4.500 40 0 EJABRO Cc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000072357663 203204153 /nfs/dbraw/zinc/20/41/53/203204153.db2.gz ZGTMWPAFCHLTNS-QHCPKHFHSA-N 1 0 343.474 4.713 40 0 EJABRO Fc1cccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)c1 ZINC000072357669 203205577 /nfs/dbraw/zinc/20/55/77/203205577.db2.gz QSVDZCPLUKSPIP-QFIPXVFZSA-N 1 0 347.437 4.544 40 0 EJABRO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000257247858 244261681 /nfs/dbraw/zinc/26/16/81/244261681.db2.gz JAWSAXZREWFQIP-MRXNPFEDSA-N 1 0 328.431 4.527 40 0 EJABRO CC(C)CCC[C@]1(C)Oc2ccccc2[C@H]2OC[C@@]3(CCC[NH2+]3)C[C@@H]21 ZINC000257336743 244564453 /nfs/dbraw/zinc/56/44/53/244564453.db2.gz YPUZPBNINFBEJG-WSWWRLHASA-N 1 0 343.511 4.864 40 0 EJABRO CCC[n+]1cc(Br)cc(-c2nc3c(cccc3C)s2)c1 ZINC000226776858 205151691 /nfs/dbraw/zinc/15/16/91/205151691.db2.gz JOLUSYSWYLKZTL-UHFFFAOYSA-N 1 0 348.289 4.732 40 0 EJABRO Clc1ccc(C2([NH2+]Cc3ccccc3-n3cccn3)CCC2)cc1 ZINC000012361803 211355905 /nfs/dbraw/zinc/35/59/05/211355905.db2.gz SIBKIFVQGQRMPT-UHFFFAOYSA-N 1 0 337.854 4.695 40 0 EJABRO CC[NH+](CC)CC[C@@](O)(Cc1ccccc1)c1cccc(Cl)c1 ZINC000006382372 210627072 /nfs/dbraw/zinc/62/70/72/210627072.db2.gz ANGQRRAQWMUDKF-HXUWFJFHSA-N 1 0 331.887 4.502 40 0 EJABRO C[C@H]1CCCCN1[PH+](N1CCCC[C@@H]1C)N1CCCC[C@@H]1C ZINC000005328698 210440622 /nfs/dbraw/zinc/44/06/22/210440622.db2.gz NVXFGRFIRYCPGA-BZSNNMDCSA-N 1 0 325.481 4.837 40 0 EJABRO Cc1ccc2ccc(/C=C\C3=[N+](C)c4ccccc4C3(C)C)c(O)c2n1 ZINC000004824330 210289258 /nfs/dbraw/zinc/28/92/58/210289258.db2.gz KUJPMVMZKOSPOE-UHFFFAOYSA-O 1 0 343.450 4.968 40 0 EJABRO C[C@@H]([NH3+])[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930497 221205607 /nfs/dbraw/zinc/20/56/07/221205607.db2.gz XIWYUYGZLTUXIP-RAGLHBGGSA-N 1 0 331.544 4.520 40 0 EJABRO O=C(Nc1cc(Cl)ccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010433859 257861064 /nfs/dbraw/zinc/86/10/64/257861064.db2.gz FCKDBPUTJNDQOE-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO C[N@@H+]1CCC[C@@H]1CCOc1ccccc1Oc1cccc(Cl)c1 ZINC000257215448 536370305 /nfs/dbraw/zinc/37/03/05/536370305.db2.gz CQDKZWFIABNYJD-MRXNPFEDSA-N 1 0 331.843 4.995 40 0 EJABRO C[C@@H](OC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000001569402 563392916 /nfs/dbraw/zinc/39/29/16/563392916.db2.gz WWFXXOLLBWVWJA-NQIIRXRSSA-N 1 0 337.463 4.908 40 0 EJABRO CCC(CC)[N@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656146 563399627 /nfs/dbraw/zinc/39/96/27/563399627.db2.gz IDYUSIGMOWUUAY-UHFFFAOYSA-N 1 0 343.515 4.802 40 0 EJABRO CCCC[NH+](CCCC)CCOC(=O)Nc1ccccc1Cl ZINC000001671717 563401763 /nfs/dbraw/zinc/40/17/63/563401763.db2.gz ULHLCZXVFQNMRM-UHFFFAOYSA-N 1 0 326.868 4.791 40 0 EJABRO CCCC[NH+](CCCC)CCCNc1cc(OC)cc2cccnc21 ZINC000001687239 563403369 /nfs/dbraw/zinc/40/33/69/563403369.db2.gz IJGRSXRSNLFNCR-UHFFFAOYSA-N 1 0 343.515 4.948 40 0 EJABRO C[C@@H](C[NH+]1CCCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698661 563404580 /nfs/dbraw/zinc/40/45/80/563404580.db2.gz MEHPGVGVBWKTJB-LAUBAEHRSA-N 1 0 343.898 4.502 40 0 EJABRO CCC[C@@H](C)[NH2+]CCOC(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000001710570 563406115 /nfs/dbraw/zinc/40/61/15/563406115.db2.gz GQNBHAGYDQXAES-XLIONFOSSA-N 1 0 331.500 4.672 40 0 EJABRO CC[NH+](CC)Cc1ccccc1COC(=O)c1ccc(Cl)cc1 ZINC000001725104 563407244 /nfs/dbraw/zinc/40/72/44/563407244.db2.gz PIQHEQSQNAJITK-UHFFFAOYSA-N 1 0 331.843 4.539 40 0 EJABRO CC[NH+](CC)[C@H]1CCC[C@H](Nc2ccnc3cc(Cl)ccc32)C1 ZINC000001733780 563408278 /nfs/dbraw/zinc/40/82/78/563408278.db2.gz ZODDUWYUOSRZLF-HOTGVXAUSA-N 1 0 331.891 4.953 40 0 EJABRO Cc1ccccc1NC(=O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000408583037 563484830 /nfs/dbraw/zinc/48/48/30/563484830.db2.gz RFWKRIIUIUDXIQ-UHFFFAOYSA-N 1 0 328.500 4.901 40 0 EJABRO CCCC[N@H+](CCNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000005837930 563551760 /nfs/dbraw/zinc/55/17/60/563551760.db2.gz HQNULEHJYXEBBF-INIZCTEOSA-N 1 0 329.488 4.556 40 0 EJABRO CC[NH+](CC)CCCOC(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000006381950 563566618 /nfs/dbraw/zinc/56/66/18/563566618.db2.gz XTJYWVDREYTMGV-HXUWFJFHSA-N 1 0 331.500 4.626 40 0 EJABRO CCCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000007261280 563598368 /nfs/dbraw/zinc/59/83/68/563598368.db2.gz HRYGBXIWEGKXPK-UHFFFAOYSA-N 1 0 327.468 4.862 40 0 EJABRO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccccc1 ZINC000008254611 563625072 /nfs/dbraw/zinc/62/50/72/563625072.db2.gz GLLOKEGPOYYXRX-UHFFFAOYSA-N 1 0 325.452 4.697 40 0 EJABRO CCOc1cccc(C[NH2+]C2CCCC2)c1OCc1ccccc1 ZINC000008325499 563626543 /nfs/dbraw/zinc/62/65/43/563626543.db2.gz DKQHXZWCKSZPDY-UHFFFAOYSA-N 1 0 325.452 4.697 40 0 EJABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000008471470 563630877 /nfs/dbraw/zinc/63/08/77/563630877.db2.gz BJHNLJKBNCPBFS-UHFFFAOYSA-N 1 0 345.870 4.960 40 0 EJABRO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccccc1 ZINC000008495486 563631196 /nfs/dbraw/zinc/63/11/96/563631196.db2.gz UDAQIBINFREAOM-UHFFFAOYSA-N 1 0 325.452 4.697 40 0 EJABRO O=C(Nc1ccccc1)[C@H]([NH2+]C1CCCCC1)c1ccc(Cl)cc1 ZINC000408734324 563633642 /nfs/dbraw/zinc/63/36/42/563633642.db2.gz MZOHFSACIVVPHT-LJQANCHMSA-N 1 0 342.870 4.942 40 0 EJABRO COc1ccc(C2([NH2+]Cc3c[nH]nc3-c3ccccc3)CCCC2)cc1 ZINC000012147624 563654983 /nfs/dbraw/zinc/65/49/83/563654983.db2.gz ZDWCFPPFQTWZKA-UHFFFAOYSA-N 1 0 347.462 4.644 40 0 EJABRO O=C1CCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000095951723 563977808 /nfs/dbraw/zinc/97/78/08/563977808.db2.gz BHSGJDHMYNLSPY-VWPQPMDRSA-N 1 0 337.438 4.553 40 0 biogenic EJABRO CO[C@@H]1CC2(CC[NH+](Cc3ccc(C)s3)CC2)c2ccc(C)cc21 ZINC000096100192 563979172 /nfs/dbraw/zinc/97/91/72/563979172.db2.gz RIAHFEKWJANWTK-HXUWFJFHSA-N 1 0 341.520 4.990 40 0 EJABRO Cc1ccc(Oc2c(F)cccc2OCC[NH+]2CCCCC2)cc1 ZINC000585265219 563981107 /nfs/dbraw/zinc/98/11/07/563981107.db2.gz JEHHXIHEZZGVKW-UHFFFAOYSA-N 1 0 329.415 4.791 40 0 EJABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214523 563984755 /nfs/dbraw/zinc/98/47/55/563984755.db2.gz PHWHFBXKHRRUPD-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214401 563984771 /nfs/dbraw/zinc/98/47/71/563984771.db2.gz DWNPVPOQWAOLTB-INIZCTEOSA-N 1 0 333.476 4.612 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072214738 563984886 /nfs/dbraw/zinc/98/48/86/563984886.db2.gz ZNBJJIWFYLTJHO-QGZVFWFLSA-N 1 0 347.503 4.778 40 0 EJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214817 563985002 /nfs/dbraw/zinc/98/50/02/563985002.db2.gz JTGPUQCILAPFEH-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072215141 563985167 /nfs/dbraw/zinc/98/51/67/563985167.db2.gz GLJXFSGZGBTCQP-WBVHZDCISA-N 1 0 347.503 4.778 40 0 EJABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215322 563985192 /nfs/dbraw/zinc/98/51/92/563985192.db2.gz UOKFWWIALNJGJJ-KRWDZBQOSA-N 1 0 345.487 4.531 40 0 EJABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215493 563985287 /nfs/dbraw/zinc/98/52/87/563985287.db2.gz MLEAOHRODXZGBG-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[NH2+]2)cn1)C1CCCC1 ZINC000072215574 563985309 /nfs/dbraw/zinc/98/53/09/563985309.db2.gz AWYAJPGLBAXHPW-KRWDZBQOSA-N 1 0 345.487 4.580 40 0 EJABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216691 563985533 /nfs/dbraw/zinc/98/55/33/563985533.db2.gz KQIIZZICHODSKM-OAQYLSRUSA-N 1 0 335.495 4.799 40 0 EJABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000000514876 564012561 /nfs/dbraw/zinc/01/25/61/564012561.db2.gz JSPJAAFWNFBYQC-UHFFFAOYSA-N 1 0 330.431 4.688 40 0 EJABRO CC[NH+](CC)Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000000568305 564012793 /nfs/dbraw/zinc/01/27/93/564012793.db2.gz YHTFXRNKDSTDRV-NTEUORMPSA-N 1 0 342.870 4.834 40 0 EJABRO COc1cccc(C[NH2+]CC(C)C)c1OCc1ccc(Cl)cc1 ZINC000006883649 564015211 /nfs/dbraw/zinc/01/52/11/564015211.db2.gz FOPQLMNZHURNHD-UHFFFAOYSA-N 1 0 333.859 4.673 40 0 EJABRO Fc1ccc(C[NH2+]Cc2ccc(OCc3cccs3)cc2)cc1 ZINC000007523990 564015603 /nfs/dbraw/zinc/01/56/03/564015603.db2.gz XFGFKKUBTYLXHF-UHFFFAOYSA-N 1 0 327.424 4.756 40 0 EJABRO CCOc1c(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cccc1OC ZINC000008253478 564016014 /nfs/dbraw/zinc/01/60/14/564016014.db2.gz NUFJNZPXENABQX-NOCBQHASSA-N 1 0 343.511 4.788 40 0 EJABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1cccs1 ZINC000008472329 564016207 /nfs/dbraw/zinc/01/62/07/564016207.db2.gz QIMDLRXFDBKDIQ-UHFFFAOYSA-N 1 0 331.481 4.758 40 0 EJABRO CC[C@H]1C[N@H+](CCc2ccccc2)Cc2cc3cccc(C)c3nc2O1 ZINC000013563870 564020361 /nfs/dbraw/zinc/02/03/61/564020361.db2.gz ROEZGJAWTWQICA-NRFANRHFSA-N 1 0 346.474 4.759 40 0 EJABRO c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168938 564032578 /nfs/dbraw/zinc/03/25/78/564032578.db2.gz CLZIFNCUUCYEHZ-AWEZNQCLSA-N 1 0 333.460 4.767 40 0 biogenic,in-vitro EJABRO C[C@@H]([NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022076589 564034213 /nfs/dbraw/zinc/03/42/13/564034213.db2.gz VZRPVBFYVPJKMO-JLTOFOAXSA-N 1 0 341.838 4.812 40 0 EJABRO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000224528496 564043035 /nfs/dbraw/zinc/04/30/35/564043035.db2.gz ZAWPBJRSXOOYLB-LJQANCHMSA-N 1 0 344.543 4.540 40 0 EJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C(C)C)cc1 ZINC000225580401 564048020 /nfs/dbraw/zinc/04/80/20/564048020.db2.gz RUWKCMRVRGNFLA-IBGZPJMESA-N 1 0 347.572 4.751 40 0 EJABRO C[C@@H]([C@H](O)c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000031923531 564050002 /nfs/dbraw/zinc/05/00/02/564050002.db2.gz BOZCOAZLVQXGKP-CVDCTZTESA-N 1 0 331.459 4.811 40 0 EJABRO C[C@@H]1CCCCN1[PH+](N1CCCC[C@H]1C)N1CCCC[C@@H]1C ZINC000001737541 564078533 /nfs/dbraw/zinc/07/85/33/564078533.db2.gz NVXFGRFIRYCPGA-KURKYZTESA-N 1 0 325.481 4.837 40 0 EJABRO C[N@@H+]1[C@H](c2ccccc2)C[C@H](O)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000245380446 564097502 /nfs/dbraw/zinc/09/75/02/564097502.db2.gz ZIIZMWKPNMCHTR-NEWJYFPISA-N 1 0 343.470 4.949 40 0 EJABRO C[N@H+]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H](O)C[C@H]1c1ccccc1 ZINC000033901433 564118431 /nfs/dbraw/zinc/11/84/31/564118431.db2.gz ZIIZMWKPNMCHTR-ZJZGAYNASA-N 1 0 343.470 4.949 40 0 EJABRO O=C(Nc1ccccc1)O[C@@H]1[C@@H]2CCC[C@H]1CC[C@H]2[NH+]1CCCCC1 ZINC000004365313 210180488 /nfs/dbraw/zinc/18/04/88/210180488.db2.gz LURDPRCEUSFKGO-NBYUQASBSA-N 1 0 342.483 4.668 40 0 EJABRO CC1=C[C@H](C)[C@@H](C[N@@H+](CCO)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1 ZINC000102136018 219187263 /nfs/dbraw/zinc/18/72/63/219187263.db2.gz KUFAUZJRIITNBN-KNPYFFGGSA-N 1 0 333.560 4.758 40 0 EJABRO C[NH+](C)CCOC1(Cc2ccc(F)cc2)CCC(C(C)(C)C)CC1 ZINC000003593045 210060157 /nfs/dbraw/zinc/06/01/57/210060157.db2.gz IPSVMEJXHXKMSE-UHFFFAOYSA-N 1 0 335.507 4.922 40 0 EJABRO O=C(c1ccccc1)c1ccc[n+](Cc2c(Cl)cccc2Cl)c1 ZINC000001719762 209787178 /nfs/dbraw/zinc/78/71/78/209787178.db2.gz HTIKAMXYIXDFMO-UHFFFAOYSA-N 1 0 343.233 4.560 40 0 EJABRO CC[NH+](CC)CC[C@](O)(Cc1ccccc1)c1cccc(Cl)c1 ZINC000001698646 209783893 /nfs/dbraw/zinc/78/38/93/209783893.db2.gz ANGQRRAQWMUDKF-FQEVSTJZSA-N 1 0 331.887 4.502 40 0 EJABRO CC[NH+](CC)C[C@@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000001628147 209769459 /nfs/dbraw/zinc/76/94/59/209769459.db2.gz COKMQJYIYARAML-RRFGBZISSA-N 1 0 329.871 4.886 40 0 EJABRO CCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000038835376 213227691 /nfs/dbraw/zinc/22/76/91/213227691.db2.gz XRNBRQNVZWSCES-QGZVFWFLSA-N 1 0 336.479 4.733 40 0 EJABRO O[C@@H](c1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000031923897 202213730 /nfs/dbraw/zinc/21/37/30/202213730.db2.gz ZRLBPOAWKPNOPZ-PKTZIBPZSA-N 1 0 329.443 4.520 40 0 EJABRO Clc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358325 216165467 /nfs/dbraw/zinc/16/54/67/216165467.db2.gz ULEHLQNJCWGEKD-INIZCTEOSA-N 1 0 341.886 4.919 40 0 EJABRO Fc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000072357711 216164551 /nfs/dbraw/zinc/16/45/51/216164551.db2.gz RQGQKYUMPYOPLS-JOCHJYFZSA-N 1 0 347.437 4.544 40 0 EJABRO c1cc(-c2nnc([C@@H]3CCCC[N@H+]3CCc3ccccc3)o2)cs1 ZINC000072390150 216190613 /nfs/dbraw/zinc/19/06/13/216190613.db2.gz NZHBGUWUPSHCME-KRWDZBQOSA-N 1 0 339.464 4.568 40 0 EJABRO CCc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000022522732 212304161 /nfs/dbraw/zinc/30/41/61/212304161.db2.gz FCWSAOBZWMBSIM-QGZVFWFLSA-N 1 0 336.479 4.733 40 0 EJABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072379086 203211251 /nfs/dbraw/zinc/21/12/51/203211251.db2.gz BTFRQMZLMLUPSI-HXUWFJFHSA-N 1 0 346.478 4.728 40 0 EJABRO CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000020158485 212107283 /nfs/dbraw/zinc/10/72/83/212107283.db2.gz JAGTZKBRUXXCQV-UHFFFAOYSA-N 1 0 328.637 4.862 40 0 EJABRO Fc1ccccc1-c1cccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072348800 203203851 /nfs/dbraw/zinc/20/38/51/203203851.db2.gz SEDZGKUARVGQTB-GOSISDBHSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000072357712 203204563 /nfs/dbraw/zinc/20/45/63/203204563.db2.gz RQGQKYUMPYOPLS-QFIPXVFZSA-N 1 0 347.437 4.544 40 0 EJABRO c1csc(-c2nnc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)o2)c1 ZINC000019344820 212019735 /nfs/dbraw/zinc/01/97/35/212019735.db2.gz DPGSXLXMBULXNK-OAHLLOKOSA-N 1 0 331.485 4.558 40 0 EJABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000019336287 212018476 /nfs/dbraw/zinc/01/84/76/212018476.db2.gz WBTAPMSKJUVVQP-ZRNYENFQSA-N 1 0 326.871 4.797 40 0 EJABRO Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019339710 212018094 /nfs/dbraw/zinc/01/80/94/212018094.db2.gz VFLJBQSLKAAEQO-YRPNKDGESA-N 1 0 326.871 4.797 40 0 EJABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3cccs3)CC2)o1 ZINC000019238733 212008638 /nfs/dbraw/zinc/00/86/38/212008638.db2.gz XLVBGLUPFISTES-UHFFFAOYSA-N 1 0 345.493 4.548 40 0 EJABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2ccc(F)cc2)nc1 ZINC000019215489 212006029 /nfs/dbraw/zinc/00/60/29/212006029.db2.gz UODDAVXCZRSZFP-IBGZPJMESA-N 1 0 326.440 4.664 40 0 EJABRO Clc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000012337881 211351603 /nfs/dbraw/zinc/35/16/03/211351603.db2.gz OEONADRMHBXMJH-MUGJNUQGSA-N 1 0 331.887 4.549 40 0 EJABRO C/C(=C\c1ccccc1)C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000012128740 211299390 /nfs/dbraw/zinc/29/93/90/211299390.db2.gz WFMYCLUBUXRSBR-YLFSKNCBSA-N 1 0 343.474 4.696 40 0 EJABRO CCn1c(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)nc2ccccc21 ZINC000012147581 211308321 /nfs/dbraw/zinc/30/83/21/211308321.db2.gz FLOUTSTUYQEERO-UHFFFAOYSA-N 1 0 349.478 4.624 40 0 EJABRO CC1=C[C@H](C)[C@H](C[NH+](CCO)C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@H](C)C1 ZINC000004763828 210274166 /nfs/dbraw/zinc/27/41/66/210274166.db2.gz KUFAUZJRIITNBN-NALHQMNBSA-N 1 0 333.560 4.758 40 0 EJABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216692 257687976 /nfs/dbraw/zinc/68/79/76/257687976.db2.gz KQIIZZICHODSKM-NRFANRHFSA-N 1 0 335.495 4.799 40 0 EJABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000072215724 257688931 /nfs/dbraw/zinc/68/89/31/257688931.db2.gz SYRHVDDEAHBWMH-KRWDZBQOSA-N 1 0 345.487 4.580 40 0 EJABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)cc1 ZINC000007539314 257864814 /nfs/dbraw/zinc/86/48/14/257864814.db2.gz HRWKLWZYRLTMIY-UHFFFAOYSA-N 1 0 341.451 4.936 40 0 EJABRO C[N@@H+]1CCC[C@H]1CCOc1ccccc1Oc1ccc(Cl)cc1 ZINC000257204967 536390262 /nfs/dbraw/zinc/39/02/62/536390262.db2.gz AXBOCMUOFVYRHJ-INIZCTEOSA-N 1 0 331.843 4.995 40 0 EJABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 ZINC000001482030 563391035 /nfs/dbraw/zinc/39/10/35/563391035.db2.gz ZWPODSUQWXAZNC-YOFSQIOKSA-N 1 0 333.475 4.516 40 0 in-man EJABRO CCCC[N@H+](CC)C[C@@H](CC)Nc1cc(OC)cc2cccnc21 ZINC000001592129 563395020 /nfs/dbraw/zinc/39/50/20/563395020.db2.gz MSAOVUPSUJPSAC-QGZVFWFLSA-N 1 0 329.488 4.556 40 0 EJABRO COc1cc2cccnc2c(NCC[N@H+](CC(C)C)[C@H](C)C(C)C)c1 ZINC000001621070 563397112 /nfs/dbraw/zinc/39/71/12/563397112.db2.gz QOFYEMDBVKFVBT-QGZVFWFLSA-N 1 0 343.515 4.658 40 0 EJABRO COc1cc2cccnc2c(NCCCCCCCCCC[NH3+])c1 ZINC000001644107 563398871 /nfs/dbraw/zinc/39/88/71/563398871.db2.gz YBARINVHVQOQBS-UHFFFAOYSA-N 1 0 329.488 4.735 40 0 EJABRO CCCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000001672017 563401681 /nfs/dbraw/zinc/40/16/81/563401681.db2.gz XCJDGUPOJRRALG-FQEVSTJZSA-N 1 0 347.886 4.684 40 0 EJABRO CC(C)[NH+](C[C@@H](c1ccccc1)[C@](C)(O)c1ccccc1)C(C)C ZINC000001670729 563401747 /nfs/dbraw/zinc/40/17/47/563401747.db2.gz PKBJERGOXGFAOR-FCHUYYIVSA-N 1 0 325.496 4.797 40 0 EJABRO CCC[NH+](CCC)C[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001682021 563402697 /nfs/dbraw/zinc/40/26/97/563402697.db2.gz URSHEVDCYDQDGO-QFIPXVFZSA-N 1 0 325.496 4.874 40 0 EJABRO CCOc1cccc2c1ncc(C)c2N[C@@H](C)CCC[NH+](CC)CC ZINC000001873676 563415230 /nfs/dbraw/zinc/41/52/30/563415230.db2.gz TXPFYPNVDMETIO-KRWDZBQOSA-N 1 0 343.515 4.864 40 0 EJABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+](CC)C1CCCCC1 ZINC000006356050 563565883 /nfs/dbraw/zinc/56/58/83/563565883.db2.gz HUHCJNJBZMWXPS-PKOBYXMFSA-N 1 0 333.516 4.594 40 0 EJABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000007525178 563604682 /nfs/dbraw/zinc/60/46/82/563604682.db2.gz QRLHTWLABLTKNW-UHFFFAOYSA-N 1 0 347.458 4.872 40 0 EJABRO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008326722 563626830 /nfs/dbraw/zinc/62/68/30/563626830.db2.gz LTANOCNKQUEAOV-AWEZNQCLSA-N 1 0 333.859 4.816 40 0 EJABRO [NH3+]Cc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2)cc1 ZINC000008699701 563635682 /nfs/dbraw/zinc/63/56/82/563635682.db2.gz UUWJUVLZVIBRTA-UHFFFAOYSA-N 1 0 332.403 4.561 40 0 EJABRO CCCCc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010329817 563647157 /nfs/dbraw/zinc/64/71/57/563647157.db2.gz OKEZYIMMZDTPCM-UHFFFAOYSA-N 1 0 336.479 4.877 40 0 EJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214341 563984679 /nfs/dbraw/zinc/98/46/79/563984679.db2.gz YDMLKMFGJDTJEX-INIZCTEOSA-N 1 0 333.476 4.612 40 0 EJABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214874 563984972 /nfs/dbraw/zinc/98/49/72/563984972.db2.gz AIEMKWAPIKSUDO-QGZVFWFLSA-N 1 0 347.503 4.778 40 0 EJABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215339 563985205 /nfs/dbraw/zinc/98/52/05/563985205.db2.gz XWFPXJIVKOBWEQ-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215516 563985299 /nfs/dbraw/zinc/98/52/99/563985299.db2.gz LRRWUBQCVGOCJK-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219269 563985766 /nfs/dbraw/zinc/98/57/66/563985766.db2.gz XKUHDEMVKPZUNL-NRFANRHFSA-N 1 0 335.495 4.717 40 0 EJABRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000005721240 564014196 /nfs/dbraw/zinc/01/41/96/564014196.db2.gz WPSGCUBUKCRVEC-FGTMMUONSA-N 1 0 336.479 4.659 40 0 EJABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Cl ZINC000005998254 564014427 /nfs/dbraw/zinc/01/44/27/564014427.db2.gz NLADJVJMXRMBGO-UHFFFAOYSA-N 1 0 328.843 4.578 40 0 EJABRO COc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(OC)c1 ZINC000008534535 564016308 /nfs/dbraw/zinc/01/63/08/564016308.db2.gz YPKNXOYONVENHG-LVBDODCMSA-N 1 0 329.484 4.542 40 0 EJABRO CCOc1ccc2nc(Cl)c(C[NH2+]Cc3cccs3)cc2c1 ZINC000013534804 564022929 /nfs/dbraw/zinc/02/29/29/564022929.db2.gz YZILLIJKFLKJRH-UHFFFAOYSA-N 1 0 332.856 4.638 40 0 EJABRO Clc1ccc(-c2nnc([C@H]3CC[N@H+](CC4CCCCC4)C3)o2)cc1 ZINC000049169410 564032564 /nfs/dbraw/zinc/03/25/64/564032564.db2.gz AILXVOLVGVITRG-INIZCTEOSA-N 1 0 345.874 4.760 40 0 biogenic,in-vitro EJABRO CC[C@H]([NH2+]CC(C)C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000222637227 564037270 /nfs/dbraw/zinc/03/72/70/564037270.db2.gz ZWOFDTZYXKXWOB-IBGZPJMESA-N 1 0 327.468 4.971 40 0 EJABRO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000224530548 564043037 /nfs/dbraw/zinc/04/30/37/564043037.db2.gz UEIUOSXNSMJRRL-IBGZPJMESA-N 1 0 344.543 4.540 40 0 EJABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000002694449 564065670 /nfs/dbraw/zinc/06/56/70/564065670.db2.gz HVYPGZIRVLSJMJ-IRXDYDNUSA-N 1 0 335.532 4.744 40 0 EJABRO COCc1ccc([C@@H]2CCCN2[C@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000248599801 564078660 /nfs/dbraw/zinc/07/86/60/564078660.db2.gz BWYMMIASFOEPAU-HIFRSBDPSA-N 1 0 332.444 4.610 40 0 EJABRO CC[C@H](c1ccc2c(ccc(OC)c2Br)c1)C(C)(C)[NH3+] ZINC000225752188 564150464 /nfs/dbraw/zinc/15/04/64/564150464.db2.gz QVRGKMKHUCZEBL-CQSZACIVSA-N 1 0 336.273 4.842 40 0 EJABRO F/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1/C[NH+]2CCC1CC2 ZINC000028968414 564152879 /nfs/dbraw/zinc/15/28/79/564152879.db2.gz XNDCPFTULXRWQH-HNENSFHCSA-N 1 0 336.410 4.649 40 0 in-vitro EJABRO CCOc1ccc2nc(Cl)c(C[NH2+]Cc3ccccc3)cc2c1 ZINC000057577641 564155052 /nfs/dbraw/zinc/15/50/52/564155052.db2.gz CPUVBVXAGSOOOK-UHFFFAOYSA-N 1 0 326.827 4.577 40 0 EJABRO FC(F)(F)c1cccc([C@@H](OCC[NH+]2CCCC2)c2ccccc2)c1 ZINC000003640548 210070737 /nfs/dbraw/zinc/07/07/37/210070737.db2.gz OXZBMTDAPMORBJ-IBGZPJMESA-N 1 0 349.396 4.907 40 0 EJABRO O=C(Nc1cccc(Cl)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038833849 213228315 /nfs/dbraw/zinc/22/83/15/213228315.db2.gz UKGQQFMNGKDAHC-UHFFFAOYSA-N 1 0 342.870 4.968 40 0 EJABRO O=C(Nc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038833902 213227855 /nfs/dbraw/zinc/22/78/55/213227855.db2.gz KIFOBRJLNINWNC-UHFFFAOYSA-N 1 0 342.870 4.968 40 0 EJABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000038832878 213226470 /nfs/dbraw/zinc/22/64/70/213226470.db2.gz KOADSMKSUDVOOI-GOSISDBHSA-N 1 0 336.479 4.554 40 0 EJABRO c1ccc(C2CCC(N3CC[NH+]([C@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000019831816 202022245 /nfs/dbraw/zinc/02/22/45/202022245.db2.gz LRFGDHOYBPTOBR-XXZAMGIKSA-N 1 0 338.539 4.519 40 0 EJABRO C[C@H]([NH2+]Cc1cccs1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000035313702 213020994 /nfs/dbraw/zinc/02/09/94/213020994.db2.gz URSLGXXGLWPYRJ-HNNXBMFYSA-N 1 0 336.460 4.532 40 0 EJABRO CC(C)(C)c1[nH]c2ncccc2c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000072393639 216193083 /nfs/dbraw/zinc/19/30/83/216193083.db2.gz ODUFYCYVUQNMGM-UHFFFAOYSA-N 1 0 348.494 4.635 40 0 EJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCCCCCC3)cc2)C1 ZINC000022515900 212303771 /nfs/dbraw/zinc/30/37/71/212303771.db2.gz LTEDLJRNZRHUFH-SFHVURJKSA-N 1 0 342.527 4.761 40 0 EJABRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000022076537 212276880 /nfs/dbraw/zinc/27/68/80/212276880.db2.gz RRAYZALBTLLDIV-UHFFFAOYSA-N 1 0 341.838 4.941 40 0 EJABRO Fc1cccc(C[N@H+]2CC=C(c3nc4cc(Cl)ccc4o3)CC2)c1 ZINC000216785139 241210135 /nfs/dbraw/zinc/21/01/35/241210135.db2.gz PPTQTSFBIVSOQQ-UHFFFAOYSA-N 1 0 342.801 4.910 40 0 EJABRO CCC[n+]1cc(Br)cc(-c2nc3ccc(C)cc3s2)c1 ZINC000226773322 242114515 /nfs/dbraw/zinc/11/45/15/242114515.db2.gz LUZPNQQRLLVUIZ-UHFFFAOYSA-N 1 0 348.289 4.732 40 0 EJABRO Fc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348802 203203106 /nfs/dbraw/zinc/20/31/06/203203106.db2.gz DAKRJXSWRPNPIO-LJQANCHMSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348838 203203133 /nfs/dbraw/zinc/20/31/33/203203133.db2.gz CLCDALOQQUCTTF-LJQANCHMSA-N 1 0 347.437 4.662 40 0 EJABRO COc1cc(C)c(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)cc1C ZINC000019567355 212043436 /nfs/dbraw/zinc/04/34/36/212043436.db2.gz GHRJEOOPWOUHFX-SFHVURJKSA-N 1 0 328.456 4.726 40 0 EJABRO C=Cn1ncc(C[N@H+](CCc2ccccc2)Cc2cccs2)c1C ZINC000019554302 212041017 /nfs/dbraw/zinc/04/10/17/212041017.db2.gz PUIGCUVWIQBRJB-UHFFFAOYSA-N 1 0 337.492 4.598 40 0 EJABRO C[C@@H](C[N@H+](C)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1)c1ccccc1 ZINC000019455973 212029608 /nfs/dbraw/zinc/02/96/08/212029608.db2.gz ISYWFVNUMGRPOM-JXFKEZNVSA-N 1 0 349.478 4.650 40 0 EJABRO C[C@H](CCn1ccc2ccncc21)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019455853 212029396 /nfs/dbraw/zinc/02/93/96/212029396.db2.gz ADDYSFSFDBJWGM-CQSZACIVSA-N 1 0 347.384 4.624 40 0 EJABRO C=Cn1ncc(C[NH+]2CCC(c3cc4c(C)cccc4cn3)CC2)c1C ZINC000019236699 212007021 /nfs/dbraw/zinc/00/70/21/212007021.db2.gz DGAWNPHVPUXHDD-UHFFFAOYSA-N 1 0 346.478 4.528 40 0 EJABRO Fc1ccc(C[n+]2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000226308270 205126000 /nfs/dbraw/zinc/12/60/00/205126000.db2.gz IRPGCPHDQDIEJV-UHFFFAOYSA-N 1 0 339.777 4.623 40 0 EJABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OC ZINC000008254367 210920491 /nfs/dbraw/zinc/92/04/91/210920491.db2.gz FCEVJSWCLGUBGU-VZLUNSFSSA-N 1 0 343.511 4.788 40 0 EJABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCC ZINC000008253873 210920378 /nfs/dbraw/zinc/92/03/78/210920378.db2.gz JWCGREIHZGRPPB-UHFFFAOYSA-N 1 0 325.880 4.950 40 0 EJABRO CCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OCC)c1 ZINC000007262371 210775735 /nfs/dbraw/zinc/77/57/35/210775735.db2.gz OSZLAGIKAZRCED-UHFFFAOYSA-N 1 0 333.859 4.817 40 0 EJABRO C[N+]1=C(/C=C\c2ccnc3c(O)cccc23)C(C)(C)c2ccccc21 ZINC000004830541 210291060 /nfs/dbraw/zinc/29/10/60/210291060.db2.gz VUMWAHQWOVNJRM-UHFFFAOYSA-O 1 0 329.423 4.660 40 0 EJABRO C[C@@H]([NH3+])[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930502 221205176 /nfs/dbraw/zinc/20/51/76/221205176.db2.gz XIWYUYGZLTUXIP-MLJASQLDSA-N 1 0 331.544 4.520 40 0 EJABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CCCc2ccccc21 ZINC000072222883 257686852 /nfs/dbraw/zinc/68/68/52/257686852.db2.gz SJDPXHKXRVZXMW-NRFANRHFSA-N 1 0 329.447 4.522 40 0 EJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000000568261 257869928 /nfs/dbraw/zinc/86/99/28/257869928.db2.gz BTBXORYYFNEVPX-UHFFFAOYSA-N 1 0 330.859 4.743 40 0 EJABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccccc1F ZINC000408583908 257895581 /nfs/dbraw/zinc/89/55/81/257895581.db2.gz YPPBXGIHFHYARC-UHFFFAOYSA-N 1 0 332.463 4.732 40 0 EJABRO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000328979565 257908504 /nfs/dbraw/zinc/90/85/04/257908504.db2.gz GGDWQVXOSKPXSW-JKSUJKDBSA-N 1 0 338.499 4.762 40 0 EJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)C1 ZINC000038755757 132396993 /nfs/dbraw/zinc/39/69/93/132396993.db2.gz AOEUVQNQWZGMKZ-SFHVURJKSA-N 1 0 348.490 4.512 40 0 EJABRO CCc1ccc2oc(-c3ccc[n+](Cc4cccc(F)c4)c3)nc2c1 ZINC000226308242 535833163 /nfs/dbraw/zinc/83/31/63/535833163.db2.gz AEDVWTGGGGOXSQ-UHFFFAOYSA-N 1 0 333.386 4.532 40 0 EJABRO COc1cc(NCCCCCC[NH2+]CC(C)C)c2nccc(C)c2c1 ZINC000001568076 563392895 /nfs/dbraw/zinc/39/28/95/563392895.db2.gz XZJMMJNKCBQIFY-UHFFFAOYSA-N 1 0 343.515 4.770 40 0 EJABRO CCO[P@](=O)(OCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000001600177 563395730 /nfs/dbraw/zinc/39/57/30/563395730.db2.gz FCIVHNRHDQODPN-DEOSSOPVSA-N 1 0 347.395 4.584 40 0 EJABRO CC[C@@H](C)[N@H+](CCNc1cc(OC)cc2cccnc21)CCC(C)C ZINC000001656116 563399498 /nfs/dbraw/zinc/39/94/98/563399498.db2.gz WZXGYORNSOXLGS-QGZVFWFLSA-N 1 0 343.515 4.802 40 0 EJABRO CCCC[N@H+](CCNc1cc(OC)cc2cccnc21)C[C@H](C)CC ZINC000001653254 563399584 /nfs/dbraw/zinc/39/95/84/563399584.db2.gz NQFXOYSWSKBKDZ-QGZVFWFLSA-N 1 0 343.515 4.804 40 0 EJABRO CCCC[N@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656138 563399589 /nfs/dbraw/zinc/39/95/89/563399589.db2.gz HFMAQZFEIQCIQA-UHFFFAOYSA-N 1 0 343.515 4.804 40 0 EJABRO CC[NH+](CC)CCOC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001671691 563401664 /nfs/dbraw/zinc/40/16/64/563401664.db2.gz ZZXINSPSKSGPQB-UHFFFAOYSA-N 1 0 342.464 4.768 40 0 EJABRO CC[NH+](CC)[C@@H]([C@@H](Cc1cccs1)OC(C)=O)C1CCCCC1 ZINC000001671251 563401777 /nfs/dbraw/zinc/40/17/77/563401777.db2.gz BDBASLFJMHPDPY-RTBURBONSA-N 1 0 337.529 4.513 40 0 EJABRO O[C@@](CC[NH+]1CCCCC1)(Cc1ccccc1)c1cccc(Cl)c1 ZINC000001698658 563404730 /nfs/dbraw/zinc/40/47/30/563404730.db2.gz SFCOPAFRKWVMLA-NRFANRHFSA-N 1 0 343.898 4.646 40 0 EJABRO CCC[C@H](C)[NH2+]CCOC(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000001710571 563406214 /nfs/dbraw/zinc/40/62/14/563406214.db2.gz GQNBHAGYDQXAES-PXNSSMCTSA-N 1 0 331.500 4.672 40 0 EJABRO COc1ccc(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000408583103 563484907 /nfs/dbraw/zinc/48/49/07/563484907.db2.gz RPLPCXZXGCKELI-UHFFFAOYSA-N 1 0 344.499 4.601 40 0 EJABRO CCCCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000007261288 563598392 /nfs/dbraw/zinc/59/83/92/563598392.db2.gz LFDROBLVZDTJSE-UHFFFAOYSA-N 1 0 327.468 4.862 40 0 EJABRO CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000007261662 563598650 /nfs/dbraw/zinc/59/86/50/563598650.db2.gz FNDPDIKCXQRWAD-UHFFFAOYSA-N 1 0 348.284 4.918 40 0 EJABRO Clc1cc(Cl)cc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)c1 ZINC000007524704 563604319 /nfs/dbraw/zinc/60/43/19/563604319.db2.gz WZMILFPCUVJRPT-AWEZNQCLSA-N 1 0 326.223 4.522 40 0 EJABRO COc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1Cl ZINC000007539582 563605444 /nfs/dbraw/zinc/60/54/44/563605444.db2.gz ZLMAHTKNVPXJIR-UHFFFAOYSA-N 1 0 341.838 4.941 40 0 EJABRO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008325971 563626497 /nfs/dbraw/zinc/62/64/97/563626497.db2.gz LTANOCNKQUEAOV-CQSZACIVSA-N 1 0 333.859 4.816 40 0 EJABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1cccc(Cl)c1 ZINC000008471877 563631003 /nfs/dbraw/zinc/63/10/03/563631003.db2.gz YXQGQLIPEDAAQF-UHFFFAOYSA-N 1 0 345.870 4.960 40 0 EJABRO O=C(Nc1ccc(Cl)cc1)[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000408734136 563634586 /nfs/dbraw/zinc/63/45/86/563634586.db2.gz KZYJAHUQFLMSAM-LJQANCHMSA-N 1 0 342.870 4.942 40 0 EJABRO CCn1nc(C)c(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000012228191 563656539 /nfs/dbraw/zinc/65/65/39/563656539.db2.gz XHSUFUPOHKMCQJ-NRFANRHFSA-N 1 0 337.511 4.680 40 0 EJABRO Fc1ccccc1COc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000016450084 563812086 /nfs/dbraw/zinc/81/20/86/563812086.db2.gz FCZVQCHXPWBJHE-UHFFFAOYSA-N 1 0 327.424 4.756 40 0 EJABRO COc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2ncccc2C)c1 ZINC000019237645 563855542 /nfs/dbraw/zinc/85/55/42/563855542.db2.gz PSTDWLGTFFAUSK-IBGZPJMESA-N 1 0 338.476 4.534 40 0 EJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)C1 ZINC000038833792 563922174 /nfs/dbraw/zinc/92/21/74/563922174.db2.gz HICJEOXRMIMZOQ-HNNXBMFYSA-N 1 0 342.870 4.824 40 0 EJABRO C[C@H]1CC2=C(C[C@H]1[C@H]1OC[C@@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000085867326 563974029 /nfs/dbraw/zinc/97/40/29/563974029.db2.gz GWNYATQURCVOGA-SFFNPBHPSA-N 1 0 347.543 4.767 40 0 EJABRO CO[C@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)c2ccc(C)cc21 ZINC000096100191 563979149 /nfs/dbraw/zinc/97/91/49/563979149.db2.gz APQLROJBCAPUMI-FQEVSTJZSA-N 1 0 325.452 4.521 40 0 EJABRO CO[C@@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)c2ccc(C)cc21 ZINC000096100190 563979186 /nfs/dbraw/zinc/97/91/86/563979186.db2.gz APQLROJBCAPUMI-HXUWFJFHSA-N 1 0 325.452 4.521 40 0 EJABRO Fc1cccc(OCC[NH+]2CCCC2)c1Oc1ccc(Cl)cc1 ZINC000585265581 563981130 /nfs/dbraw/zinc/98/11/30/563981130.db2.gz TWWQAYBBPMQBBU-UHFFFAOYSA-N 1 0 335.806 4.746 40 0 EJABRO Fc1cccc(OCCC[NH+]2CCCCC2)c1Oc1ccccc1 ZINC000585266182 563981164 /nfs/dbraw/zinc/98/11/64/563981164.db2.gz GGRHZPZTDPQXSY-UHFFFAOYSA-N 1 0 329.415 4.873 40 0 EJABRO Cc1ccc(Oc2ccc(F)cc2OCC[C@H]2CCC[N@H+]2C)cc1 ZINC000585266163 563981165 /nfs/dbraw/zinc/98/11/65/563981165.db2.gz BSDPBUMLOKKVSS-QGZVFWFLSA-N 1 0 329.415 4.790 40 0 EJABRO C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215608 563984362 /nfs/dbraw/zinc/98/43/62/563984362.db2.gz BXKINAIMQVLGAJ-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214461 563984752 /nfs/dbraw/zinc/98/47/52/563984752.db2.gz UYEGIPATYIFYGT-KRWDZBQOSA-N 1 0 347.503 4.636 40 0 EJABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072214572 563984847 /nfs/dbraw/zinc/98/48/47/563984847.db2.gz WEBMAXBFKCSLSH-KRWDZBQOSA-N 1 0 347.503 4.636 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214677 563984925 /nfs/dbraw/zinc/98/49/25/563984925.db2.gz KEQPNMBJMUFZDF-KRWDZBQOSA-N 1 0 347.503 4.778 40 0 EJABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072214801 563984935 /nfs/dbraw/zinc/98/49/35/563984935.db2.gz NYWBWKJZSPNJBV-KRWDZBQOSA-N 1 0 347.503 4.636 40 0 EJABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072215101 563985107 /nfs/dbraw/zinc/98/51/07/563985107.db2.gz GZJHLFLPPACLTO-NVXWUHKLSA-N 1 0 347.503 4.778 40 0 EJABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072215102 563985131 /nfs/dbraw/zinc/98/51/31/563985131.db2.gz GZJHLFLPPACLTO-DOTOQJQBSA-N 1 0 347.503 4.778 40 0 EJABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072215143 563985164 /nfs/dbraw/zinc/98/51/64/563985164.db2.gz GLJXFSGZGBTCQP-NVXWUHKLSA-N 1 0 347.503 4.778 40 0 EJABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215398 563985182 /nfs/dbraw/zinc/98/51/82/563985182.db2.gz NKWNZQUYHVLBLQ-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[NH2+]2)cn1)C1CCCCC1 ZINC000072215664 563985459 /nfs/dbraw/zinc/98/54/59/563985459.db2.gz XQBZJSBTORZDOI-KRWDZBQOSA-N 1 0 345.487 4.580 40 0 EJABRO Cc1cc(N2CCCCC2)ncc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219210 563985742 /nfs/dbraw/zinc/98/57/42/563985742.db2.gz VFSXXYKZHIYWKT-OAQYLSRUSA-N 1 0 335.495 4.717 40 0 EJABRO O=C(C[NH2+]C1CCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000000411893 563998079 /nfs/dbraw/zinc/99/80/79/563998079.db2.gz WYFLXQSLHNEEOA-UHFFFAOYSA-N 1 0 338.476 4.738 40 0 EJABRO c1ccc(CNc2nc(-c3ccccc3)[n+](-c3ccccc3)s2)cc1 ZINC000001811690 564003703 /nfs/dbraw/zinc/00/37/03/564003703.db2.gz JQPAQHRUZOUMMG-UHFFFAOYSA-O 1 0 344.463 4.699 40 0 EJABRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000004558063 564013874 /nfs/dbraw/zinc/01/38/74/564013874.db2.gz YCGHJYDYEYGMCN-UHFFFAOYSA-N 1 0 333.859 4.816 40 0 EJABRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000008474535 564016211 /nfs/dbraw/zinc/01/62/11/564016211.db2.gz JGURBOOQJPVJMU-UHFFFAOYSA-N 1 0 347.458 4.607 40 0 EJABRO CCc1ccc(C[N@H+](Cc2ccc(OC)cc2)Cc2cccnc2)cc1 ZINC000013569085 564020126 /nfs/dbraw/zinc/02/01/26/564020126.db2.gz VJCBTUTVDPCIKV-UHFFFAOYSA-N 1 0 346.474 4.855 40 0 EJABRO Clc1cccc(C[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000049168915 564032570 /nfs/dbraw/zinc/03/25/70/564032570.db2.gz AOQDTMMRYBJYPQ-AWEZNQCLSA-N 1 0 328.868 4.939 40 0 biogenic,in-vitro EJABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](O)c1ccccc1 ZINC000022076539 564034183 /nfs/dbraw/zinc/03/41/83/564034183.db2.gz OGFNMONHJWTTDB-JLTOFOAXSA-N 1 0 341.838 4.812 40 0 EJABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H](O)c1ccccc1 ZINC000022076543 564034197 /nfs/dbraw/zinc/03/41/97/564034197.db2.gz OGFNMONHJWTTDB-VLIAUNLRSA-N 1 0 341.838 4.812 40 0 EJABRO COc1ccc2[nH]cc([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)c2c1 ZINC000057744989 564035030 /nfs/dbraw/zinc/03/50/30/564035030.db2.gz DIEHEYPUACOTSS-OAHLLOKOSA-N 1 0 340.854 4.819 40 0 EJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)C1 ZINC000224332946 564042428 /nfs/dbraw/zinc/04/24/28/564042428.db2.gz QIQCSEPHUUNZCK-KRWDZBQOSA-N 1 0 344.543 4.863 40 0 EJABRO C[N@@H+]1[C@@H](c2ccccc2)C[C@H](O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000033901434 564050232 /nfs/dbraw/zinc/05/02/32/564050232.db2.gz ZIIZMWKPNMCHTR-SBFWRKJZSA-N 1 0 343.470 4.949 40 0 EJABRO CCCC[C@@H](CC)CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260853484 564052692 /nfs/dbraw/zinc/05/26/92/564052692.db2.gz YVWUSEMEMDCNFC-RBUKOAKNSA-N 1 0 344.543 4.865 40 0 EJABRO Fc1cccc(Cc2cnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)c1 ZINC000257334440 564055670 /nfs/dbraw/zinc/05/56/70/564055670.db2.gz YFWOBTUMVPBXAC-INIZCTEOSA-N 1 0 328.431 4.527 40 0 EJABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000002694445 564065652 /nfs/dbraw/zinc/06/56/52/564065652.db2.gz HVYPGZIRVLSJMJ-IAGOWNOFSA-N 1 0 335.532 4.744 40 0 EJABRO Cc1cccc2nc(-c3ccc(N)cc3)c(NCc3ccccc3)n21 ZINC000001347565 564086265 /nfs/dbraw/zinc/08/62/65/564086265.db2.gz ZTSGCTSPTAZHEE-UHFFFAOYSA-N 1 0 328.419 4.504 40 0 EJABRO O[C@H](c1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000031923896 564177454 /nfs/dbraw/zinc/17/74/54/564177454.db2.gz ZRLBPOAWKPNOPZ-DHIUTWEWSA-N 1 0 329.443 4.520 40 0 EJABRO CC[C@H](C)[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008326719 201745921 /nfs/dbraw/zinc/74/59/21/201745921.db2.gz YVRYZJYTJNWDKD-AWEZNQCLSA-N 1 0 333.859 4.816 40 0 EJABRO O=C(C[NH2+]C1CCCCCC1)N1c2ccccc2CCc2ccccc21 ZINC000004001556 210098449 /nfs/dbraw/zinc/09/84/49/210098449.db2.gz YQOOFZOXWWUUDO-UHFFFAOYSA-N 1 0 348.490 4.762 40 0 EJABRO Clc1ccc(Oc2ccccc2OCC[NH+]2CCCCC2)cc1 ZINC000003610758 210066006 /nfs/dbraw/zinc/06/60/06/210066006.db2.gz HTKDXOCKHAPJHT-UHFFFAOYSA-N 1 0 331.843 4.997 40 0 EJABRO C[C@H](C[NH+]1CCCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698662 209783955 /nfs/dbraw/zinc/78/39/55/209783955.db2.gz MEHPGVGVBWKTJB-DYESRHJHSA-N 1 0 343.898 4.502 40 0 EJABRO COc1cc(NCCCCCC[NH2+]C(C)C)c2nccc(C)c2c1 ZINC000001568072 209759709 /nfs/dbraw/zinc/75/97/09/209759709.db2.gz JEWZCJJIDWIFSG-UHFFFAOYSA-N 1 0 329.488 4.522 40 0 EJABRO C[C@H](C[N@H+](C)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1)c1ccccc1 ZINC000019455975 202008678 /nfs/dbraw/zinc/00/86/78/202008678.db2.gz ISYWFVNUMGRPOM-UZLBHIALSA-N 1 0 349.478 4.650 40 0 EJABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000019570326 202012426 /nfs/dbraw/zinc/01/24/26/202012426.db2.gz LZNTVDJUUFYRPZ-IBGZPJMESA-N 1 0 332.447 4.623 40 0 EJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)C1 ZINC000038852449 213228769 /nfs/dbraw/zinc/22/87/69/213228769.db2.gz VIILUWIYFLULNF-GOSISDBHSA-N 1 0 340.511 4.539 40 0 EJABRO Clc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358324 216166320 /nfs/dbraw/zinc/16/63/20/216166320.db2.gz ULEHLQNJCWGEKD-MRXNPFEDSA-N 1 0 341.886 4.919 40 0 EJABRO Fc1ccccc1-c1cccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348836 216160901 /nfs/dbraw/zinc/16/09/01/216160901.db2.gz YKNMOIKBNAFJTO-GOSISDBHSA-N 1 0 347.437 4.662 40 0 EJABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072379085 216181111 /nfs/dbraw/zinc/18/11/11/216181111.db2.gz BTFRQMZLMLUPSI-FQEVSTJZSA-N 1 0 346.478 4.728 40 0 EJABRO COc1ccc([C@@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2C2CC2)cc1 ZINC000072393375 216193213 /nfs/dbraw/zinc/19/32/13/216193213.db2.gz DGBGCXDKPZAEEX-CQSZACIVSA-N 1 0 335.451 4.642 40 0 EJABRO Fc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000016480711 201369700 /nfs/dbraw/zinc/36/97/00/201369700.db2.gz ZZFRVUPRGJMDNX-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO c1cc(C2CCCCC2)ccc1OCCCCCCN1CC[NH2+]CC1 ZINC000022440849 212297891 /nfs/dbraw/zinc/29/78/91/212297891.db2.gz GVNAAORQEWBFDE-UHFFFAOYSA-N 1 0 344.543 4.579 40 0 EJABRO CCOc1ccc(Cl)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000022075935 212277080 /nfs/dbraw/zinc/27/70/80/212277080.db2.gz XIPSVYRWUAPVQC-UHFFFAOYSA-N 1 0 328.843 4.552 40 0 EJABRO C[Si](C)(CCC(F)(F)F)[NH2+][Si](C)(C)CCC(F)(F)F ZINC000195762194 241034628 /nfs/dbraw/zinc/03/46/28/241034628.db2.gz ITRFWRDOAWGZFV-UHFFFAOYSA-N 1 0 325.445 4.891 40 0 EJABRO Cc1cc2nc(-c3ccc[n+](Cc4ccccc4F)c3)oc2c(C)c1 ZINC000226307986 242095993 /nfs/dbraw/zinc/09/59/93/242095993.db2.gz OWLBSCGFAFYIDZ-UHFFFAOYSA-N 1 0 333.386 4.587 40 0 EJABRO CCSc1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000020459555 212133667 /nfs/dbraw/zinc/13/36/67/212133667.db2.gz QLEQSEPEACBAKL-UHFFFAOYSA-N 1 0 340.492 4.647 40 0 EJABRO Cc1cccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1 ZINC000072375101 203208930 /nfs/dbraw/zinc/20/89/30/203208930.db2.gz DKQYUHVMEFUZNT-FQEVSTJZSA-N 1 0 344.462 4.866 40 0 EJABRO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072358346 203204575 /nfs/dbraw/zinc/20/45/75/203204575.db2.gz QIOSPXZHLBMQEN-SFHVURJKSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072358334 203204676 /nfs/dbraw/zinc/20/46/76/203204676.db2.gz MBUJQHPJSMHKPQ-MRXNPFEDSA-N 1 0 339.458 4.795 40 0 EJABRO Fc1ccccc1Cc1cnc([C@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000257247857 244261116 /nfs/dbraw/zinc/26/11/16/244261116.db2.gz JAWSAXZREWFQIP-INIZCTEOSA-N 1 0 328.431 4.527 40 0 EJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2c(Cl)cccc2Cl)on1 ZINC000019120517 212001101 /nfs/dbraw/zinc/00/11/01/212001101.db2.gz UCAYWNXARACOLF-YVEFUNNKSA-N 1 0 339.266 4.791 40 0 EJABRO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccc(OC(C)C)cc2)on1 ZINC000019120276 212000922 /nfs/dbraw/zinc/00/09/22/212000922.db2.gz LXHREPMXNYPQRV-IBGZPJMESA-N 1 0 328.456 4.888 40 0 EJABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc(F)c(F)c2)nc1 ZINC000019215468 212006129 /nfs/dbraw/zinc/00/61/29/212006129.db2.gz ALNRCXVLPUNXRI-LJQANCHMSA-N 1 0 344.430 4.803 40 0 EJABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc(F)cc2)nc1 ZINC000019215487 212005958 /nfs/dbraw/zinc/00/59/58/212005958.db2.gz UODDAVXCZRSZFP-LJQANCHMSA-N 1 0 326.440 4.664 40 0 EJABRO Fc1ccc(COc2cccc(C[NH2+]CCc3ccccc3)c2)cc1 ZINC000016479372 211907359 /nfs/dbraw/zinc/90/73/59/211907359.db2.gz JIGXJFBJNXCNLC-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO Cc1cc2nc(-c3ccc[n+](Cc4ccc(F)cc4)c3)oc2c(C)c1 ZINC000226308333 205126013 /nfs/dbraw/zinc/12/60/13/205126013.db2.gz VKBGSMWOLPSLSY-UHFFFAOYSA-N 1 0 333.386 4.587 40 0 EJABRO CC[n+]1cc(Br)cc(-c2nc3c(cc(C)cc3C)s2)c1 ZINC000226773366 205153174 /nfs/dbraw/zinc/15/31/74/205153174.db2.gz RWTHCCBWROATRT-UHFFFAOYSA-N 1 0 348.289 4.650 40 0 EJABRO CCCCCC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007261006 210776013 /nfs/dbraw/zinc/77/60/13/210776013.db2.gz XLWSYVUBIAFNFY-UHFFFAOYSA-N 1 0 341.495 4.987 40 0 EJABRO Cc1nc(N2CCCCC2)ccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219270 257686672 /nfs/dbraw/zinc/68/66/72/257686672.db2.gz XKUHDEMVKPZUNL-OAQYLSRUSA-N 1 0 335.495 4.717 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072214737 257689272 /nfs/dbraw/zinc/68/92/72/257689272.db2.gz ZNBJJIWFYLTJHO-KRWDZBQOSA-N 1 0 347.503 4.778 40 0 EJABRO COc1ccccc1NC(=O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000408583848 257895676 /nfs/dbraw/zinc/89/56/76/257895676.db2.gz XPFFECGDEIPLDJ-UHFFFAOYSA-N 1 0 344.499 4.601 40 0 EJABRO CCc1ccc2oc(-c3ccc[n+](Cc4ccccc4F)c3)nc2c1 ZINC000226308001 535832742 /nfs/dbraw/zinc/83/27/42/535832742.db2.gz ANQSPEAAVIGQTO-UHFFFAOYSA-N 1 0 333.386 4.532 40 0 EJABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000008300091 560108115 /nfs/dbraw/zinc/10/81/15/560108115.db2.gz QSUFNGZTOSFOJE-TXPKVOOTSA-N 1 0 344.499 4.653 40 0 biogenic,in-vitro EJABRO O=C1C(c2ccccc2)SC(c2ccccc2O)=[N+]1c1ccccc1 ZINC000001620101 563397168 /nfs/dbraw/zinc/39/71/68/563397168.db2.gz RIXGWUCSULWELK-UHFFFAOYSA-O 1 0 346.431 4.770 40 0 EJABRO CC(=O)Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2[NH+](C)C ZINC000001662431 563400314 /nfs/dbraw/zinc/40/03/14/563400314.db2.gz AWZOSLOOJDUKIT-QGZVFWFLSA-N 1 0 335.234 4.583 40 0 EJABRO O=C(OCc1ccccc1C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000001716149 563406526 /nfs/dbraw/zinc/40/65/26/563406526.db2.gz MWFRQHGEUHFZDM-UHFFFAOYSA-N 1 0 343.854 4.683 40 0 EJABRO COc1cc2c(cc1OCc1ccccc1)[C@@H](CC(C)C)[N@H+](C)CC2 ZINC000003848587 563489425 /nfs/dbraw/zinc/48/94/25/563489425.db2.gz RZFYKKKRSXBCHL-HXUWFJFHSA-N 1 0 339.479 4.849 40 0 EJABRO O[C@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(-c2ccccc2)cc1 ZINC000004934839 563515557 /nfs/dbraw/zinc/51/55/57/563515557.db2.gz HYPJFDGAMUYUKL-SFYKDHMMSA-N 1 0 335.491 4.899 40 0 EJABRO CC(C)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000006883561 563590660 /nfs/dbraw/zinc/59/06/60/563590660.db2.gz QSKQPXMTLLWKEY-UHFFFAOYSA-N 1 0 348.284 4.774 40 0 EJABRO CCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000007261344 563598372 /nfs/dbraw/zinc/59/83/72/563598372.db2.gz VNRKGDGWQLAIKF-UHFFFAOYSA-N 1 0 331.431 4.693 40 0 EJABRO CCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000007261731 563598580 /nfs/dbraw/zinc/59/85/80/563598580.db2.gz SHEZAPODFDGLRW-UHFFFAOYSA-N 1 0 333.859 4.817 40 0 EJABRO CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000007262345 563598627 /nfs/dbraw/zinc/59/86/27/563598627.db2.gz UNNUJNAWZXGQJM-UHFFFAOYSA-N 1 0 334.257 4.528 40 0 EJABRO CCOc1cc(C[NH2+]C)cc(Cl)c1OCc1ccccc1Cl ZINC000008254100 563625040 /nfs/dbraw/zinc/62/50/40/563625040.db2.gz SRSMQVJLQOWWGQ-UHFFFAOYSA-N 1 0 340.250 4.691 40 0 EJABRO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000008325936 563626535 /nfs/dbraw/zinc/62/65/35/563626535.db2.gz RMJKPJMVNJRAJD-CQSZACIVSA-N 1 0 348.284 4.916 40 0 EJABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1 ZINC000008472041 563630789 /nfs/dbraw/zinc/63/07/89/563630789.db2.gz RPQPVSINUXKUSB-UHFFFAOYSA-N 1 0 333.431 4.564 40 0 EJABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1cccc(C)c1 ZINC000016349277 563809389 /nfs/dbraw/zinc/80/93/89/563809389.db2.gz DJBHMYLSXXTDER-UHFFFAOYSA-N 1 0 325.452 4.615 40 0 EJABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1C ZINC000016362796 563809747 /nfs/dbraw/zinc/80/97/47/563809747.db2.gz SIHHNJZRKOXHAV-UHFFFAOYSA-N 1 0 347.458 4.872 40 0 EJABRO c1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000016480621 563812740 /nfs/dbraw/zinc/81/27/40/563812740.db2.gz BJHKOWYUKIGPPW-FQEVSTJZSA-N 1 0 347.458 4.687 40 0 EJABRO C[NH2+][C@@H]1C(c2ccc(C)cc2)=NN(c2ccccc2)[C@H]1c1ccccc1 ZINC000031638250 563912881 /nfs/dbraw/zinc/91/28/81/563912881.db2.gz HDSOFYVWMRYEQH-PKTZIBPZSA-N 1 0 341.458 4.549 40 0 EJABRO C[C@H]1CC2=C(C[C@@H]1[C@H]1OC[C@@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000085867332 563974001 /nfs/dbraw/zinc/97/40/01/563974001.db2.gz GWNYATQURCVOGA-KRQVXIAISA-N 1 0 347.543 4.767 40 0 EJABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214403 563984774 /nfs/dbraw/zinc/98/47/74/563984774.db2.gz GGFXOXNCRGPDJF-INIZCTEOSA-N 1 0 333.476 4.756 40 0 EJABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072214917 563985037 /nfs/dbraw/zinc/98/50/37/563985037.db2.gz QOPSKDJFCUSBCP-QGZVFWFLSA-N 1 0 347.503 4.777 40 0 EJABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072215100 563985104 /nfs/dbraw/zinc/98/51/04/563985104.db2.gz GZJHLFLPPACLTO-RDJZCZTQSA-N 1 0 347.503 4.778 40 0 EJABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072215099 563985113 /nfs/dbraw/zinc/98/51/13/563985113.db2.gz GZJHLFLPPACLTO-WBVHZDCISA-N 1 0 347.503 4.778 40 0 EJABRO C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215456 563985267 /nfs/dbraw/zinc/98/52/67/563985267.db2.gz WGMWVMSCMGZMBR-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[NH2+]2)cn1)C1CCCCC1 ZINC000072215665 563985444 /nfs/dbraw/zinc/98/54/44/563985444.db2.gz XQBZJSBTORZDOI-QGZVFWFLSA-N 1 0 345.487 4.580 40 0 EJABRO Cc1[nH]c2ccc(F)cc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717125 564007113 /nfs/dbraw/zinc/00/71/13/564007113.db2.gz YOSGGYHRSTYGDH-BTYIYWSLSA-N 1 0 342.458 4.789 40 0 EJABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000005996873 564014381 /nfs/dbraw/zinc/01/43/81/564014381.db2.gz NTFFVPUHKVJVPN-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1cccs1 ZINC000006882517 564015213 /nfs/dbraw/zinc/01/52/13/564015213.db2.gz TTZBAGRSOZCPRW-UHFFFAOYSA-N 1 0 339.888 4.877 40 0 EJABRO CCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000007262354 564015459 /nfs/dbraw/zinc/01/54/59/564015459.db2.gz QWODKQCTSLGEAL-UHFFFAOYSA-N 1 0 337.822 4.566 40 0 EJABRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccccc3)o2)cc1 ZINC000007538804 564015626 /nfs/dbraw/zinc/01/56/26/564015626.db2.gz OPDHHCWBHYXYCA-HNNXBMFYSA-N 1 0 335.403 4.584 40 0 EJABRO CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccccc1 ZINC000008254059 564016023 /nfs/dbraw/zinc/01/60/23/564016023.db2.gz QSVZKQRRMUWNCM-UHFFFAOYSA-N 1 0 331.843 4.570 40 0 EJABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H](O)c1ccccc1 ZINC000022076544 564034232 /nfs/dbraw/zinc/03/42/32/564034232.db2.gz OGFNMONHJWTTDB-XOBRGWDASA-N 1 0 341.838 4.812 40 0 EJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC(C)(C)CC(C)(C)C)CC1 ZINC000224526265 564043040 /nfs/dbraw/zinc/04/30/40/564043040.db2.gz LXDWTLUGGWCCFT-UHFFFAOYSA-N 1 0 344.543 4.538 40 0 EJABRO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000224526525 564043054 /nfs/dbraw/zinc/04/30/54/564043054.db2.gz MENCWJAVOZUFLZ-IBGZPJMESA-N 1 0 344.543 4.540 40 0 EJABRO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2CCC(C)CC2)c1C ZINC000000568541 564051109 /nfs/dbraw/zinc/05/11/09/564051109.db2.gz ZHSJUGZEAZRNDA-UHFFFAOYSA-N 1 0 342.508 4.849 40 0 EJABRO C[N@@H+]1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000005599842 564078622 /nfs/dbraw/zinc/07/86/22/564078622.db2.gz UXIPFQUBOVWAQW-UEBLJOKOSA-N 1 0 348.490 4.755 40 0 investigational EJABRO O=C(Nc1cccc2ccccc21)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010332802 564127744 /nfs/dbraw/zinc/12/77/44/564127744.db2.gz MPXPXTAFIXORHK-UHFFFAOYSA-N 1 0 330.431 4.688 40 0 EJABRO CCn1c2cc(Cl)ccc2[n+](CC)c1C=CNc1ccccc1 ZINC000100494438 219100663 /nfs/dbraw/zinc/10/06/63/219100663.db2.gz PWFFLMWBGRKFOX-UHFFFAOYSA-O 1 0 326.851 4.705 40 0 EJABRO CC1=C[C@H](C)[C@H](C[N@@H+](CCO)C[C@@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1 ZINC000102136015 219187348 /nfs/dbraw/zinc/18/73/48/219187348.db2.gz KUFAUZJRIITNBN-KKFDQILXSA-N 1 0 333.560 4.758 40 0 EJABRO CC(=O)Nc1ccc2c(c1)[C@@H]([NH+]1CC3CCC(CC3)C1)c1ccccc1-2 ZINC000001569621 209760653 /nfs/dbraw/zinc/76/06/53/209760653.db2.gz XINRDXSLRJXVSV-OCJFHSIUSA-N 1 0 346.474 4.837 40 0 EJABRO Cl/C(=C\C=[N+]1CCCCCC1)c1ccc(Br)cc1 ZINC000035586086 213040116 /nfs/dbraw/zinc/04/01/16/213040116.db2.gz MDFAQPGEBBADLZ-DHDCSXOGSA-N 1 0 327.673 4.686 40 0 EJABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 ZINC000035442904 213028679 /nfs/dbraw/zinc/02/86/79/213028679.db2.gz VPCYGSPTZYEMJT-ZDUSSCGKSA-N 1 0 330.790 4.610 40 0 biogenic,in-vitro EJABRO Cc1ccc2oc([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)nc2c1 ZINC000035446492 213028274 /nfs/dbraw/zinc/02/82/74/213028274.db2.gz ZIGDIEQXWYMLFL-HNNXBMFYSA-N 1 0 331.419 4.607 40 0 biogenic,in-vitro EJABRO CC1=C[C@@H](C[NH3+])[C@H](C(C)C)C[C@H]1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000072321033 216149177 /nfs/dbraw/zinc/14/91/77/216149177.db2.gz WVLVKNMSSHASOM-DZKIICNBSA-N 1 0 331.891 4.572 40 0 biogenic,in-vitro EJABRO C[NH+]1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072348588 216160281 /nfs/dbraw/zinc/16/02/81/216160281.db2.gz HUTAFRINCKQPCY-UHFFFAOYSA-N 1 0 334.385 4.500 40 0 EJABRO Fc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348798 216161196 /nfs/dbraw/zinc/16/11/96/216161196.db2.gz QHEXOTGYMFYMMP-LJQANCHMSA-N 1 0 347.437 4.662 40 0 EJABRO COc1ccc([C@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393730 216192636 /nfs/dbraw/zinc/19/26/36/216192636.db2.gz SRVDLGNPZROZRJ-HNNXBMFYSA-N 1 0 337.467 4.888 40 0 EJABRO Fc1ccccc1-c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)o1 ZINC000022076485 212276925 /nfs/dbraw/zinc/27/69/25/212276925.db2.gz CLFXMBIFKZTABY-UHFFFAOYSA-N 1 0 334.394 4.899 40 0 EJABRO Fc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348922 203202907 /nfs/dbraw/zinc/20/29/07/203202907.db2.gz JMPAYXRZELBZDR-GOSISDBHSA-N 1 0 347.437 4.662 40 0 EJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2C(F)(F)F)on1 ZINC000019120585 212000824 /nfs/dbraw/zinc/00/08/24/212000824.db2.gz QNQLRHFQEPRHOY-SUMWQHHRSA-N 1 0 338.373 4.503 40 0 EJABRO CCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000007262359 206521655 /nfs/dbraw/zinc/52/16/55/206521655.db2.gz IXVQDVLKMQQLGC-UHFFFAOYSA-N 1 0 337.822 4.566 40 0 EJABRO COc1cccc(C2([NH2+]Cc3ccc4ncccc4c3)CCCC2)c1 ZINC000012328239 211349825 /nfs/dbraw/zinc/34/98/25/211349825.db2.gz UZAAKIGRSITCDV-UHFFFAOYSA-N 1 0 332.447 4.803 40 0 EJABRO COc1ccc(C2([NH2+]Cc3c(C)nc4c(C)cccn34)CCCC2)cc1 ZINC000012147592 211307494 /nfs/dbraw/zinc/30/74/94/211307494.db2.gz HHZDRWGTXKATQO-UHFFFAOYSA-N 1 0 349.478 4.519 40 0 EJABRO CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(Cl)c1)C2 ZINC000004886497 210311807 /nfs/dbraw/zinc/31/18/07/210311807.db2.gz CDFCWSJLRFSQNX-AYHJJNSGSA-N 1 0 349.906 4.503 40 0 EJABRO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072219209 257687584 /nfs/dbraw/zinc/68/75/84/257687584.db2.gz VFSXXYKZHIYWKT-NRFANRHFSA-N 1 0 335.495 4.717 40 0 EJABRO c1ccc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000031938376 526481445 /nfs/dbraw/zinc/48/14/45/526481445.db2.gz TVBGCVYNNJWKAX-UHFFFAOYSA-N 1 0 326.443 4.579 40 0 EJABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000000036361 563212113 /nfs/dbraw/zinc/21/21/13/563212113.db2.gz ZJHLPDLPHAUBCH-QGZVFWFLSA-N 1 0 338.451 4.682 40 0 EJABRO CC(C)c1ccc(C[NH+](CCO)Cc2ccc(C(C)C)cc2)cc1 ZINC000001600465 563395758 /nfs/dbraw/zinc/39/57/58/563395758.db2.gz OWVACFKJYXXTAG-UHFFFAOYSA-N 1 0 325.496 4.928 40 0 EJABRO O[C@@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(-c2ccccc2)cc1 ZINC000001615838 563396736 /nfs/dbraw/zinc/39/67/36/563396736.db2.gz HYPJFDGAMUYUKL-YDHSSHFGSA-N 1 0 335.491 4.899 40 0 EJABRO COc1cc2cccnc2c(NCCC[NH+](CC(C)C)CC(C)C)c1 ZINC000001656118 563399620 /nfs/dbraw/zinc/39/96/20/563399620.db2.gz YULHIVWGMIOUAZ-UHFFFAOYSA-N 1 0 343.515 4.659 40 0 EJABRO CC[NH+](CC)[C@H]([C@@H](Cc1cccs1)OC(C)=O)C1CCCCC1 ZINC000001671250 563401717 /nfs/dbraw/zinc/40/17/17/563401717.db2.gz BDBASLFJMHPDPY-MOPGFXCFSA-N 1 0 337.529 4.513 40 0 EJABRO CCCC[NH+](CCCC)C[C@H](O)c1c(OC)ccc2ccccc21 ZINC000001700109 563404585 /nfs/dbraw/zinc/40/45/85/563404585.db2.gz UTEIXKKLYFGUNY-IBGZPJMESA-N 1 0 329.484 4.784 40 0 EJABRO C[C@H](C[NH+]1CCCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698650 563404615 /nfs/dbraw/zinc/40/46/15/563404615.db2.gz SYKZFXRPVKSEHD-UZLBHIALSA-N 1 0 335.919 4.840 40 0 EJABRO CC[NH+](CC)[C@@H]1CCC[C@@H](Nc2ccnc3cc(Cl)ccc32)C1 ZINC000001733779 563408298 /nfs/dbraw/zinc/40/82/98/563408298.db2.gz ZODDUWYUOSRZLF-HZPDHXFCSA-N 1 0 331.891 4.953 40 0 EJABRO CC[C@H](C)[N@H+](CCNc1cc(OC)cc2cccnc21)CCC(C)C ZINC000005846375 563552132 /nfs/dbraw/zinc/55/21/32/563552132.db2.gz WZXGYORNSOXLGS-KRWDZBQOSA-N 1 0 343.515 4.802 40 0 EJABRO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000006882530 563590679 /nfs/dbraw/zinc/59/06/79/563590679.db2.gz NEIWMZNVOMNDLN-UHFFFAOYSA-N 1 0 348.284 4.916 40 0 EJABRO CCOCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524719 563604229 /nfs/dbraw/zinc/60/42/29/563604229.db2.gz JWUQGEQHAHVIMU-UHFFFAOYSA-N 1 0 328.239 4.770 40 0 EJABRO CCOCCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008253125 563624331 /nfs/dbraw/zinc/62/43/31/563624331.db2.gz NKKBNXMMFAJFPN-UHFFFAOYSA-N 1 0 349.474 4.935 40 0 EJABRO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccccc1F ZINC000008495637 563631214 /nfs/dbraw/zinc/63/12/14/563631214.db2.gz VSOVHPVFHREEQP-UHFFFAOYSA-N 1 0 343.442 4.836 40 0 EJABRO Brc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000008700484 563635702 /nfs/dbraw/zinc/63/57/02/563635702.db2.gz IXIPFXSBPXIFIC-UHFFFAOYSA-N 1 0 328.253 4.738 40 0 EJABRO Cc1nc2sccn2c1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000013999950 563734968 /nfs/dbraw/zinc/73/49/68/563734968.db2.gz LNRQWNRHBMBJIC-UHFFFAOYSA-N 1 0 331.872 4.527 40 0 EJABRO Fc1ccccc1COc1ccccc1C[NH2+]CCc1ccccc1 ZINC000016479408 563812763 /nfs/dbraw/zinc/81/27/63/563812763.db2.gz JRSNKVHWJMDTHL-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO COc1cccc(C[NH2+][C@H](Cc2ccsc2)c2ncccc2C)c1 ZINC000019237646 563855437 /nfs/dbraw/zinc/85/54/37/563855437.db2.gz PSTDWLGTFFAUSK-LJQANCHMSA-N 1 0 338.476 4.534 40 0 EJABRO Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)(C)C)CCC[C@@H]2[NH3+] ZINC000091302078 563975244 /nfs/dbraw/zinc/97/52/44/563975244.db2.gz ZTMQESWFSUIDFM-ZDUSSCGKSA-N 1 0 344.377 4.549 40 0 EJABRO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC[C@H]21 ZINC000095951563 563977856 /nfs/dbraw/zinc/97/78/56/563977856.db2.gz HDWOSECNHJMGIU-DKOYFPBOSA-N 1 0 333.475 4.975 40 0 biogenic EJABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214875 563985009 /nfs/dbraw/zinc/98/50/09/563985009.db2.gz AIEMKWAPIKSUDO-KRWDZBQOSA-N 1 0 347.503 4.778 40 0 EJABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214858 563985018 /nfs/dbraw/zinc/98/50/18/563985018.db2.gz XTBLHYOCGLBWKN-KRWDZBQOSA-N 1 0 347.503 4.777 40 0 EJABRO Cc1cc(N2CCCc3ccccc32)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223926 563985879 /nfs/dbraw/zinc/98/58/79/563985879.db2.gz QXMJYURJILUCDK-JOCHJYFZSA-N 1 0 329.447 4.522 40 0 EJABRO Cc1cc(N2CCCc3ccccc32)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223927 563985885 /nfs/dbraw/zinc/98/58/85/563985885.db2.gz QXMJYURJILUCDK-QFIPXVFZSA-N 1 0 329.447 4.522 40 0 EJABRO Nc1c2c([nH+]c3ccccc13)N(c1ccc(Cl)c(Cl)c1)CC2 ZINC000000104438 563986399 /nfs/dbraw/zinc/98/63/99/563986399.db2.gz SOMPZWPMMFOZCE-UHFFFAOYSA-N 1 0 330.218 4.818 40 0 EJABRO Cc1c(C(=O)C[N@@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc2n1C ZINC000002416893 564003776 /nfs/dbraw/zinc/00/37/76/564003776.db2.gz DWVYRXCRUOQLHN-OPAMFIHVSA-N 1 0 338.495 4.570 40 0 EJABRO COc1ccc(Br)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000006857353 564015190 /nfs/dbraw/zinc/01/51/90/564015190.db2.gz ONZMSKBKGRKQOG-UHFFFAOYSA-N 1 0 328.294 4.762 40 0 EJABRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccccc1Cl ZINC000006882551 564015208 /nfs/dbraw/zinc/01/52/08/564015208.db2.gz QKDHTXRVYVRHDW-UHFFFAOYSA-N 1 0 333.859 4.816 40 0 EJABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)cc1F ZINC000049168927 564032521 /nfs/dbraw/zinc/03/25/21/564032521.db2.gz IBVMDDUGZXRUNZ-ZDUSSCGKSA-N 1 0 330.403 4.564 40 0 biogenic,in-vitro EJABRO Fc1ccccc1CC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000022076405 564034175 /nfs/dbraw/zinc/03/41/75/564034175.db2.gz HRPOQVMSHCHNTD-UHFFFAOYSA-N 1 0 341.451 4.799 40 0 EJABRO CC1CC[NH+](Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)CC1 ZINC000224330818 564042439 /nfs/dbraw/zinc/04/24/39/564042439.db2.gz WMWZHCDVQCFUIO-UHFFFAOYSA-N 1 0 344.543 4.863 40 0 EJABRO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000257281566 564054639 /nfs/dbraw/zinc/05/46/39/564054639.db2.gz OPWIUZLVAZGWTA-QGZVFWFLSA-N 1 0 339.458 4.795 40 0 EJABRO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000328979563 564071184 /nfs/dbraw/zinc/07/11/84/564071184.db2.gz GGDWQVXOSKPXSW-HOTGVXAUSA-N 1 0 338.499 4.762 40 0 EJABRO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020458567 564128219 /nfs/dbraw/zinc/12/82/19/564128219.db2.gz VOQPZMDYLYAFEW-ROUUACIJSA-N 1 0 348.490 4.510 40 0 EJABRO Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCS3)c(Cl)c1 ZINC000027788639 564134507 /nfs/dbraw/zinc/13/45/07/564134507.db2.gz YFAPSLCNEOQRJD-UHFFFAOYSA-N 1 0 348.278 4.844 40 0 EJABRO COc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc(C)[n+]21 ZINC000003074279 564154969 /nfs/dbraw/zinc/15/49/69/564154969.db2.gz RSHVFYDENUOKKI-UHFFFAOYSA-N 1 0 333.436 4.533 40 0 EJABRO O=C(C[NH2+]Cc1cccs1)Nc1ccc(C2CCCCC2)cc1 ZINC000004647610 210236854 /nfs/dbraw/zinc/23/68/54/210236854.db2.gz MMGZRDYXIKZGKE-UHFFFAOYSA-N 1 0 328.481 4.524 40 0 EJABRO O=C(Nc1ccccc1)O[C@H]1[C@@H]2CCC[C@H]1CC[C@H]2[NH+]1CCCCC1 ZINC000004365310 210180502 /nfs/dbraw/zinc/18/05/02/210180502.db2.gz LURDPRCEUSFKGO-MTFMMBMASA-N 1 0 342.483 4.668 40 0 EJABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(OC)c2ccccc21 ZINC000001644113 209773701 /nfs/dbraw/zinc/77/37/01/209773701.db2.gz KLCBSVDLCRYTKX-FQEVSTJZSA-N 1 0 329.484 4.784 40 0 EJABRO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC000019345197 202005363 /nfs/dbraw/zinc/00/53/63/202005363.db2.gz KWOGBUGUEBNTRS-AYOQOUSVSA-N 1 0 339.483 4.569 40 0 EJABRO C[C@@H](C[NH2+][C@@H](Cc1ccsc1)c1nccs1)c1ccccc1 ZINC000019456518 202008069 /nfs/dbraw/zinc/00/80/69/202008069.db2.gz NNNZEKCJZYVZOT-YOEHRIQHSA-N 1 0 328.506 4.882 40 0 EJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)C1 ZINC000038852451 213228595 /nfs/dbraw/zinc/22/85/95/213228595.db2.gz VIILUWIYFLULNF-SFHVURJKSA-N 1 0 340.511 4.539 40 0 EJABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C ZINC000038833624 213228578 /nfs/dbraw/zinc/22/85/78/213228578.db2.gz MCVVYHLMYKVPNI-UHFFFAOYSA-N 1 0 336.479 4.788 40 0 EJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000038833904 213228590 /nfs/dbraw/zinc/22/85/90/213228590.db2.gz DPVFELTWCQXKCW-HNNXBMFYSA-N 1 0 342.870 4.824 40 0 EJABRO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000020493043 202046039 /nfs/dbraw/zinc/04/60/39/202046039.db2.gz MHPARQMMZMRWSC-MRXNPFEDSA-N 1 0 336.479 4.788 40 0 EJABRO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000035446668 213029476 /nfs/dbraw/zinc/02/94/76/213029476.db2.gz FHQVWSTYEFISFQ-AWEZNQCLSA-N 1 0 345.368 4.571 40 0 biogenic,in-vitro EJABRO Cc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348797 216160017 /nfs/dbraw/zinc/16/00/17/216160017.db2.gz GYUNEUBTDDNWIM-NRFANRHFSA-N 1 0 343.474 4.832 40 0 EJABRO Fc1cccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)c1 ZINC000072357714 216163539 /nfs/dbraw/zinc/16/35/39/216163539.db2.gz GOFVYUKYNZEFJY-QFIPXVFZSA-N 1 0 347.437 4.544 40 0 EJABRO CCC[n+]1cc(Br)cc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000226774921 242114187 /nfs/dbraw/zinc/11/41/87/242114187.db2.gz LCQQVBSTSUUTBK-UHFFFAOYSA-N 1 0 346.248 4.572 40 0 EJABRO CCC[C@H](C)[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000005422078 201650700 /nfs/dbraw/zinc/65/07/00/201650700.db2.gz HEVXURVVVADILY-INIZCTEOSA-N 1 0 329.488 4.604 40 0 EJABRO CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875642 212179516 /nfs/dbraw/zinc/17/95/16/212179516.db2.gz JXBGMSPPLMNIOH-UHFFFAOYSA-N 1 0 328.637 4.862 40 0 EJABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072379136 203210923 /nfs/dbraw/zinc/21/09/23/203210923.db2.gz HHONOEALTFJAFN-QGZVFWFLSA-N 1 0 338.499 4.513 40 0 EJABRO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000072358349 203205287 /nfs/dbraw/zinc/20/52/87/203205287.db2.gz HLQZGTYIAFFION-LJQANCHMSA-N 1 0 347.437 4.662 40 0 EJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1 ZINC000020036820 212096377 /nfs/dbraw/zinc/09/63/77/212096377.db2.gz RVXSFUFTVUEJFQ-UHFFFAOYSA-N 1 0 342.870 4.824 40 0 EJABRO COc1cc(C)c(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)cc1C ZINC000019567352 212044010 /nfs/dbraw/zinc/04/40/10/212044010.db2.gz GHRJEOOPWOUHFX-GOSISDBHSA-N 1 0 328.456 4.726 40 0 EJABRO Clc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000019336283 212018298 /nfs/dbraw/zinc/01/82/98/212018298.db2.gz WBTAPMSKJUVVQP-MUGJNUQGSA-N 1 0 326.871 4.797 40 0 EJABRO Cc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000019287280 212010310 /nfs/dbraw/zinc/01/03/10/212010310.db2.gz NGCQAPOEQAJGRR-YRPNKDGESA-N 1 0 341.886 4.500 40 0 EJABRO Fc1ccccc1CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000016480717 211908052 /nfs/dbraw/zinc/90/80/52/211908052.db2.gz HKCDWFSBXIVOBU-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO Fc1ccc(C[n+]2cccc(-c3nc4ccccc4o3)c2)c(Cl)c1 ZINC000226308524 205126518 /nfs/dbraw/zinc/12/65/18/205126518.db2.gz GSIRRSZKGKKPHB-UHFFFAOYSA-N 1 0 339.777 4.623 40 0 EJABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000012362939 211355873 /nfs/dbraw/zinc/35/58/73/211355873.db2.gz WNBGEAYOJFECOY-ULQDDVLXSA-N 1 0 331.500 4.792 40 0 EJABRO Cc1ccsc1C[N@H+](CCCO)Cc1oc2ccc(C)cc2c1C ZINC000012291856 211335604 /nfs/dbraw/zinc/33/56/04/211335604.db2.gz RGVVZAFOLIBKSI-UHFFFAOYSA-N 1 0 343.492 4.804 40 0 EJABRO C[C@H](C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000012129027 211299928 /nfs/dbraw/zinc/29/99/28/211299928.db2.gz DOQOMEKCWYPGBU-TYCQWZJGSA-N 1 0 349.453 4.536 40 0 EJABRO Cc1ccc([C@@H](CC[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c2ccco2)cc1 ZINC000009485877 211090057 /nfs/dbraw/zinc/09/00/57/211090057.db2.gz BGTUPBQBRXSYOP-SJBKTWHCSA-N 1 0 341.495 4.903 40 0 EJABRO CC1=C[C@H](C)[C@H](C[NH+](CCO)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1 ZINC000012490107 207156632 /nfs/dbraw/zinc/15/66/32/207156632.db2.gz KUFAUZJRIITNBN-WLNPFYQQSA-N 1 0 333.560 4.758 40 0 EJABRO C[C@@H]1CC(C)(C)N(C(=O)C[NH2+]CCC2=CCCCC2)c2ccccc21 ZINC000004894669 210315240 /nfs/dbraw/zinc/31/52/40/210315240.db2.gz AMFNNUAJNVOMEE-QGZVFWFLSA-N 1 0 340.511 4.786 40 0 EJABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072215785 257687890 /nfs/dbraw/zinc/68/78/90/257687890.db2.gz BHUCEVXYPVUGNT-QGZVFWFLSA-N 1 0 339.439 4.579 40 0 EJABRO O=C(OCC[NH+]1CCCCCC1)[C@@H](c1ccsc1)C1CCCCC1 ZINC000000000132 563211365 /nfs/dbraw/zinc/21/13/65/563211365.db2.gz MMNICIJVQJJHHF-LJQANCHMSA-N 1 0 349.540 4.831 40 0 in-man EJABRO CCCC[NH+](CCCC)CC(=O)c1ccc(Br)cc1 ZINC000001598630 563395738 /nfs/dbraw/zinc/39/57/38/563395738.db2.gz AFZZPOJYXXVIIF-UHFFFAOYSA-N 1 0 326.278 4.534 40 0 EJABRO CC[NH+](CC)[C@@H]([C@H](Cc1cccs1)OC(C)=O)C1CCCCC1 ZINC000001671253 563401734 /nfs/dbraw/zinc/40/17/34/563401734.db2.gz BDBASLFJMHPDPY-RBUKOAKNSA-N 1 0 337.529 4.513 40 0 EJABRO CC[NH+](CC)CCCNc1c2cccc(Cl)c2nc2c1CCCC2 ZINC000001677545 563402445 /nfs/dbraw/zinc/40/24/45/563402445.db2.gz CAWAATSLZQGGGX-UHFFFAOYSA-N 1 0 345.918 4.911 40 0 EJABRO C[C@@H](C[NH+]1CCCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698649 563404609 /nfs/dbraw/zinc/40/46/09/563404609.db2.gz SYKZFXRPVKSEHD-JXFKEZNVSA-N 1 0 335.919 4.840 40 0 EJABRO CC[NH+](CC)CCCCCCNc1cc(OC)cc2scnc21 ZINC000001855234 563414496 /nfs/dbraw/zinc/41/44/96/563414496.db2.gz FFQYHMRTTIDFIL-UHFFFAOYSA-N 1 0 335.517 4.619 40 0 EJABRO COc1cc2c(cc1OCc1ccccc1)[C@H](CC(C)C)[N@H+](C)CC2 ZINC000003848589 563489448 /nfs/dbraw/zinc/48/94/48/563489448.db2.gz RZFYKKKRSXBCHL-FQEVSTJZSA-N 1 0 339.479 4.849 40 0 EJABRO CN(CCC1CCCCC1)C(=O)CC[N@H+](C)CCC1CCCCC1 ZINC000005049584 563519794 /nfs/dbraw/zinc/51/97/94/563519794.db2.gz WRMXSAUKFBVHEX-UHFFFAOYSA-N 1 0 336.564 4.708 40 0 EJABRO CCCC[N@H+](CCNc1cc(OC)cc2cccnc21)C[C@@H](C)CC ZINC000005837922 563551701 /nfs/dbraw/zinc/55/17/01/563551701.db2.gz NQFXOYSWSKBKDZ-KRWDZBQOSA-N 1 0 343.515 4.804 40 0 EJABRO CCCCC[N@H+](CCNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000005837646 563551820 /nfs/dbraw/zinc/55/18/20/563551820.db2.gz SXUGOGFHPFVIOF-KRWDZBQOSA-N 1 0 343.515 4.946 40 0 EJABRO CCCCC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000007261290 563598326 /nfs/dbraw/zinc/59/83/26/563598326.db2.gz GBRXOUDHDDXQAJ-UHFFFAOYSA-N 1 0 331.431 4.693 40 0 EJABRO CCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000007261680 563598665 /nfs/dbraw/zinc/59/86/65/563598665.db2.gz VHJWCVYZZTWAQE-UHFFFAOYSA-N 1 0 333.859 4.817 40 0 EJABRO Cc1ccc(Cn2c3ccccc3nc2[C@H](C)[NH+]2CCCCC2)cc1 ZINC000007343624 563600000 /nfs/dbraw/zinc/60/00/00/563600000.db2.gz ZYXOUXHVJHAXIM-SFHVURJKSA-N 1 0 333.479 4.940 40 0 EJABRO CCOc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccccc1 ZINC000007539369 563605607 /nfs/dbraw/zinc/60/56/07/563605607.db2.gz ALWROFLDIMJRSR-UHFFFAOYSA-N 1 0 347.458 4.954 40 0 EJABRO CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccccc1F ZINC000008254149 563625135 /nfs/dbraw/zinc/62/51/35/563625135.db2.gz FBGGXTOKGCYCLJ-UHFFFAOYSA-N 1 0 349.833 4.709 40 0 EJABRO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008326710 563626882 /nfs/dbraw/zinc/62/68/82/563626882.db2.gz GWAIGRZRAAYPKR-AWEZNQCLSA-N 1 0 333.859 4.816 40 0 EJABRO O=C(Nc1ccc(Cl)cc1)[C@@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000408734133 563634696 /nfs/dbraw/zinc/63/46/96/563634696.db2.gz KZYJAHUQFLMSAM-IBGZPJMESA-N 1 0 342.870 4.942 40 0 EJABRO CC(C)[NH+](CC[C@@H](c1ccccc1)c1cc(C=O)ccc1O)C(C)C ZINC000087493272 563643754 /nfs/dbraw/zinc/64/37/54/563643754.db2.gz DHTHWYZNJZNTIT-FQEVSTJZSA-N 1 0 339.479 4.846 40 0 EJABRO CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(C=O)ccc1O)C(C)C ZINC000087493273 563643779 /nfs/dbraw/zinc/64/37/79/563643779.db2.gz DHTHWYZNJZNTIT-HXUWFJFHSA-N 1 0 339.479 4.846 40 0 EJABRO O=C(Nc1ccccc1)O[C@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000013563635 563701862 /nfs/dbraw/zinc/70/18/62/563701862.db2.gz LURDPRCEUSFKGO-OJAHFUOMSA-N 1 0 342.483 4.668 40 0 EJABRO CC(C)(Cc1ccccc1)[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000014982447 563770444 /nfs/dbraw/zinc/77/04/44/563770444.db2.gz WVZRWNPPXYLQBI-LJQANCHMSA-N 1 0 329.871 4.735 40 0 EJABRO Fc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000016480781 563812709 /nfs/dbraw/zinc/81/27/09/563812709.db2.gz LGTWLMDCGUTOMQ-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO Cc1cc(C)cc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038833562 563922208 /nfs/dbraw/zinc/92/22/08/563922208.db2.gz OALNMMPQVXIGTI-INIZCTEOSA-N 1 0 336.479 4.788 40 0 EJABRO Fc1cc(Br)ccc1-c1ccccc1C[NH+]1CCCC1 ZINC000085479256 563973848 /nfs/dbraw/zinc/97/38/48/563973848.db2.gz QXVVGYQLYZOWOR-UHFFFAOYSA-N 1 0 334.232 4.851 40 0 EJABRO CO[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccc(C)cc21 ZINC000096100195 563979205 /nfs/dbraw/zinc/97/92/05/563979205.db2.gz MQNRSTFMNOKCLC-NRFANRHFSA-N 1 0 339.454 4.759 40 0 EJABRO Fc1ccc(OCC[NH+]2CCCC2)c(Oc2cccc(Cl)c2)c1 ZINC000585265721 563981136 /nfs/dbraw/zinc/98/11/36/563981136.db2.gz ZKKOTOVHQLQBTJ-UHFFFAOYSA-N 1 0 335.806 4.746 40 0 EJABRO C[N@@H+]1CCC[C@@H](COc2ccccc2Oc2cccc(Cl)c2)C1 ZINC000585266247 563981144 /nfs/dbraw/zinc/98/11/44/563981144.db2.gz XSNVOEVYVIXECG-OAHLLOKOSA-N 1 0 331.843 4.853 40 0 EJABRO Cc1ccc(Oc2ccc(F)cc2OCC[NH+]2CCCCC2)cc1 ZINC000585265691 563981169 /nfs/dbraw/zinc/98/11/69/563981169.db2.gz YCAJLNABBYTCRS-UHFFFAOYSA-N 1 0 329.415 4.791 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072214754 563984901 /nfs/dbraw/zinc/98/49/01/563984901.db2.gz SMSLOWVPRXZMIS-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072214802 563984944 /nfs/dbraw/zinc/98/49/44/563984944.db2.gz NYWBWKJZSPNJBV-QGZVFWFLSA-N 1 0 347.503 4.636 40 0 EJABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215399 563985230 /nfs/dbraw/zinc/98/52/30/563985230.db2.gz NKWNZQUYHVLBLQ-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072215256 563985246 /nfs/dbraw/zinc/98/52/46/563985246.db2.gz AYUZVIXLECWNNY-DOTOQJQBSA-N 1 0 347.503 4.778 40 0 EJABRO C[n+]1ccc(/C=C/c2cccn2Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000005002278 564005671 /nfs/dbraw/zinc/00/56/71/564005671.db2.gz WVAROFQRUQDHHV-UHFFFAOYSA-N 1 0 344.265 4.838 40 0 EJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 ZINC000000568292 564012745 /nfs/dbraw/zinc/01/27/45/564012745.db2.gz GOIZAFCBPMRZJV-UHFFFAOYSA-N 1 0 340.467 4.568 40 0 EJABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1Cl ZINC000005995948 564014387 /nfs/dbraw/zinc/01/43/87/564014387.db2.gz KHQMDDAYYDGRPU-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000006883580 564015195 /nfs/dbraw/zinc/01/51/95/564015195.db2.gz OYRPQLRAUNMCPP-UHFFFAOYSA-N 1 0 333.859 4.673 40 0 EJABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OC ZINC000008254331 564016012 /nfs/dbraw/zinc/01/60/12/564016012.db2.gz NQIUQSVRGDZWII-QFWMWPAFSA-N 1 0 343.511 4.933 40 0 EJABRO C[C@@H]([NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022076593 564034218 /nfs/dbraw/zinc/03/42/18/564034218.db2.gz VZRPVBFYVPJKMO-VLIAUNLRSA-N 1 0 341.838 4.812 40 0 EJABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](O)c1ccccc1 ZINC000022076541 564034221 /nfs/dbraw/zinc/03/42/21/564034221.db2.gz OGFNMONHJWTTDB-VBKZILBWSA-N 1 0 341.838 4.812 40 0 EJABRO CCCC[C@@H](CC)CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000224333312 564042420 /nfs/dbraw/zinc/04/24/20/564042420.db2.gz YVWUSEMEMDCNFC-RTBURBONSA-N 1 0 344.543 4.865 40 0 EJABRO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000224528546 564043043 /nfs/dbraw/zinc/04/30/43/564043043.db2.gz ZAWPBJRSXOOYLB-IBGZPJMESA-N 1 0 344.543 4.540 40 0 EJABRO CCCC[C@H](CC)CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260853479 564052694 /nfs/dbraw/zinc/05/26/94/564052694.db2.gz YVWUSEMEMDCNFC-OALUTQOASA-N 1 0 344.543 4.865 40 0 EJABRO Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c(C(C)(C)C)c1 ZINC000026781098 564057175 /nfs/dbraw/zinc/05/71/75/564057175.db2.gz VXSBUIYULIZAJS-QGZVFWFLSA-N 1 0 349.559 4.837 40 0 EJABRO CC(C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C(C)C)[nH+]1 ZINC000328965262 564071006 /nfs/dbraw/zinc/07/10/06/564071006.db2.gz CCBGOCHOKOSSQL-UHFFFAOYSA-N 1 0 338.499 4.762 40 0 EJABRO O=C(Nc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062771 564127618 /nfs/dbraw/zinc/12/76/18/564127618.db2.gz YBTHZNFHLRFSSK-UHFFFAOYSA-N 1 0 344.458 4.691 40 0 EJABRO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010364366 564127789 /nfs/dbraw/zinc/12/77/89/564127789.db2.gz ALWMUEHBZUFFFV-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO O=C(NC1CCCCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010370427 564127793 /nfs/dbraw/zinc/12/77/93/564127793.db2.gz HBUOWOWQDHUMGY-UHFFFAOYSA-N 1 0 328.500 4.515 40 0 EJABRO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC000019345167 564127945 /nfs/dbraw/zinc/12/79/45/564127945.db2.gz KWOGBUGUEBNTRS-IPELMVKDSA-N 1 0 339.483 4.569 40 0 EJABRO CC[NH+](CC)C[C@@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537490 210216275 /nfs/dbraw/zinc/21/62/75/210216275.db2.gz COKMQJYIYARAML-KKHYBRAUSA-N 1 0 329.871 4.886 40 0 EJABRO CC[NH+](CC)C[C@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537488 210216133 /nfs/dbraw/zinc/21/61/33/210216133.db2.gz COKMQJYIYARAML-PRPIBZDOSA-N 1 0 329.871 4.886 40 0 EJABRO Cc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000019287283 202002351 /nfs/dbraw/zinc/00/23/51/202002351.db2.gz NGCQAPOEQAJGRR-ZRNYENFQSA-N 1 0 341.886 4.500 40 0 EJABRO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000022074816 202079065 /nfs/dbraw/zinc/07/90/65/202079065.db2.gz MGDBRIZYKUJUAO-UHFFFAOYSA-N 1 0 349.261 4.816 40 0 EJABRO CC1(C)c2ccccc2-c2nc3ccccc3cc2[C@H]1[NH+]1CCOCC1 ZINC000031623531 202207501 /nfs/dbraw/zinc/20/75/01/202207501.db2.gz OBPAOOYHSBQACT-JOCHJYFZSA-N 1 0 344.458 4.566 40 0 EJABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1F ZINC000035442902 213028834 /nfs/dbraw/zinc/02/88/34/213028834.db2.gz QDBLVVLBBSTXTI-LBPRGKRZSA-N 1 0 348.780 4.749 40 0 biogenic,in-vitro EJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc(Cl)c2)o1 ZINC000036740248 202330154 /nfs/dbraw/zinc/33/01/54/202330154.db2.gz WRAQPMSZJJAIAW-UHFFFAOYSA-N 1 0 343.858 4.530 40 0 EJABRO Cc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348832 216160348 /nfs/dbraw/zinc/16/03/48/216160348.db2.gz BGPKMWCMFXEWDE-OAQYLSRUSA-N 1 0 343.474 4.832 40 0 EJABRO Cc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348919 216160576 /nfs/dbraw/zinc/16/05/76/216160576.db2.gz QEGMCYJDJOFWRO-HXUWFJFHSA-N 1 0 343.474 4.832 40 0 EJABRO Cc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348833 216160590 /nfs/dbraw/zinc/16/05/90/216160590.db2.gz BGPKMWCMFXEWDE-NRFANRHFSA-N 1 0 343.474 4.832 40 0 EJABRO Fc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348799 216161093 /nfs/dbraw/zinc/16/10/93/216161093.db2.gz QHEXOTGYMFYMMP-IBGZPJMESA-N 1 0 347.437 4.662 40 0 EJABRO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375264 216179208 /nfs/dbraw/zinc/17/92/08/216179208.db2.gz RTRCDARWIGPSMD-FQEVSTJZSA-N 1 0 344.462 4.866 40 0 EJABRO Cc1cccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1 ZINC000072375102 216178096 /nfs/dbraw/zinc/17/80/96/216178096.db2.gz DKQYUHVMEFUZNT-HXUWFJFHSA-N 1 0 344.462 4.866 40 0 EJABRO c1cc(-c2nnc([C@H]3CCCC[N@H+]3CCc3ccccc3)o2)cs1 ZINC000072390149 216191433 /nfs/dbraw/zinc/19/14/33/216191433.db2.gz NZHBGUWUPSHCME-QGZVFWFLSA-N 1 0 339.464 4.568 40 0 EJABRO C[C@@H]1CCCCN1[PH+](N1CCCC[C@@H]1C)N1CCCC[C@@H]1C ZINC000005328697 563526824 /nfs/dbraw/zinc/52/68/24/563526824.db2.gz NVXFGRFIRYCPGA-OKZBNKHCSA-N 1 0 325.481 4.837 40 0 EJABRO CC[NH+](CC)CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000022076575 212276865 /nfs/dbraw/zinc/27/68/65/212276865.db2.gz PIJSEOQOFKZVDY-UHFFFAOYSA-N 1 0 341.282 4.685 40 0 EJABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000022074746 212275674 /nfs/dbraw/zinc/27/56/74/212275674.db2.gz CQKCJBITVFJIKF-UHFFFAOYSA-N 1 0 342.241 4.864 40 0 EJABRO Fc1ccc(-n2cc(C3=CC[NH2+]CC3)c3cc(Cl)ccc32)cc1 ZINC000021987005 212269047 /nfs/dbraw/zinc/26/90/47/212269047.db2.gz WLQZFXJVVNNEJU-UHFFFAOYSA-N 1 0 326.802 4.800 40 0 EJABRO COc1cc2cccnc2c(NCCCCCC[C@H]2CCCC[NH2+]2)c1 ZINC000001640915 201514774 /nfs/dbraw/zinc/51/47/74/201514774.db2.gz OSBGDIBTBPEXDD-SFHVURJKSA-N 1 0 341.499 4.748 40 0 EJABRO Cc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020493667 212139005 /nfs/dbraw/zinc/13/90/05/212139005.db2.gz LXSCQEPUSRPLMR-UHFFFAOYSA-N 1 0 336.479 4.788 40 0 EJABRO CC(C)[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358409 203204841 /nfs/dbraw/zinc/20/48/41/203204841.db2.gz XWOWUMJXYSIURX-OAHLLOKOSA-N 1 0 349.400 4.750 40 0 EJABRO C[C@H](C[N@H+](C)Cc1c2cccnc2[nH]c1[C@H]1CCCO1)c1ccccc1 ZINC000019455979 212029557 /nfs/dbraw/zinc/02/95/57/212029557.db2.gz ISYWFVNUMGRPOM-OXQOHEQNSA-N 1 0 349.478 4.650 40 0 EJABRO c1csc(-c2nnc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)o2)c1 ZINC000019344823 212019990 /nfs/dbraw/zinc/01/99/90/212019990.db2.gz DPGSXLXMBULXNK-HNNXBMFYSA-N 1 0 331.485 4.558 40 0 EJABRO c1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000019366319 212023042 /nfs/dbraw/zinc/02/30/42/212023042.db2.gz GENVHINXIOAJEH-DEOSSOPVSA-N 1 0 342.486 4.746 40 0 EJABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000019336279 212018020 /nfs/dbraw/zinc/01/80/20/212018020.db2.gz WBTAPMSKJUVVQP-FYQPLNBISA-N 1 0 326.871 4.797 40 0 EJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)on1 ZINC000012366526 211357535 /nfs/dbraw/zinc/35/75/35/211357535.db2.gz GBJFNCSGDBCGMR-WMLDXEAASA-N 1 0 338.373 4.503 40 0 EJABRO COc1ccccc1C1([NH2+]Cc2c(C)nc3c(C)cccn23)CCCC1 ZINC000012147591 211307804 /nfs/dbraw/zinc/30/78/04/211307804.db2.gz ORJCLWOQZGCKRS-UHFFFAOYSA-N 1 0 349.478 4.519 40 0 EJABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(F)cc1 ZINC000008471557 210956318 /nfs/dbraw/zinc/95/63/18/210956318.db2.gz VYJLZFDBFJVQHS-UHFFFAOYSA-N 1 0 343.442 4.836 40 0 EJABRO CCOc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000008324592 210934554 /nfs/dbraw/zinc/93/45/54/210934554.db2.gz PNPBCVGLPMFKTA-ZDUSSCGKSA-N 1 0 334.257 4.699 40 0 EJABRO CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC[N@H+](C)C1 ZINC000004976718 210346382 /nfs/dbraw/zinc/34/63/82/210346382.db2.gz CXLQUCPRQKBNSP-UHFFFAOYSA-N 1 0 329.484 4.775 40 0 in-vivo EJABRO Cc1ccc([C@@](O)(CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934793 210328580 /nfs/dbraw/zinc/32/85/80/210328580.db2.gz BXLMOHLIEPHHHR-AWRGLXIESA-N 1 0 349.518 4.743 40 0 EJABRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004897849 210316639 /nfs/dbraw/zinc/31/66/39/210316639.db2.gz WPSGCUBUKCRVEC-BZSNNMDCSA-N 1 0 336.479 4.659 40 0 EJABRO COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)([NH+](C)C)[C@]3(C)CC[C@@H]21 ZINC000004900234 210315700 /nfs/dbraw/zinc/31/57/00/210315700.db2.gz IXZPZMBLHXZOLG-RTOMLYRKSA-N 1 0 327.512 4.872 40 0 EJABRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004897848 210315737 /nfs/dbraw/zinc/31/57/37/210315737.db2.gz WPSGCUBUKCRVEC-KSZLIROESA-N 1 0 336.479 4.659 40 0 EJABRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004897850 210315571 /nfs/dbraw/zinc/31/55/71/210315571.db2.gz WPSGCUBUKCRVEC-KURKYZTESA-N 1 0 336.479 4.659 40 0 EJABRO CC1=C[C@@H](C)[C@H](C[N@@H+](CCO)C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@H](C)C1 ZINC000004763833 210274206 /nfs/dbraw/zinc/27/42/06/210274206.db2.gz KUFAUZJRIITNBN-BTOHRNCKSA-N 1 0 333.560 4.758 40 0 EJABRO CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2Cl)cc1OC ZINC000008253396 563624646 /nfs/dbraw/zinc/62/46/46/563624646.db2.gz DTLCAECNUFNLOR-UHFFFAOYSA-N 1 0 340.250 4.691 40 0 EJABRO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000000036360 563212060 /nfs/dbraw/zinc/21/20/60/563212060.db2.gz ZJHLPDLPHAUBCH-KRWDZBQOSA-N 1 0 338.451 4.682 40 0 EJABRO Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)C[NH2+]C(C)(C)C)(C4)C2)C3)cc1 ZINC000001506842 563391287 /nfs/dbraw/zinc/39/12/87/563391287.db2.gz ZDZWYBQALASASL-WVKNIADZSA-N 1 0 339.523 4.790 40 0 EJABRO CC[NH+](CC)[C@H]([C@H](Cc1cccs1)OC(C)=O)C1CCCCC1 ZINC000001671252 563401719 /nfs/dbraw/zinc/40/17/19/563401719.db2.gz BDBASLFJMHPDPY-OALUTQOASA-N 1 0 337.529 4.513 40 0 EJABRO CCCCC[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000001684910 563403134 /nfs/dbraw/zinc/40/31/34/563403134.db2.gz ODVDHEZGQJWRFN-UHFFFAOYSA-N 1 0 329.488 4.605 40 0 EJABRO CSc1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2 ZINC000001731589 563407914 /nfs/dbraw/zinc/40/79/14/563407914.db2.gz VAKQWULGGDTKGR-UHFFFAOYSA-N 1 0 330.522 4.963 40 0 in-vitro EJABRO CC[NH+](CC)CCCCCCCNc1cc(OC)cc2cccnc21 ZINC000001873677 563415160 /nfs/dbraw/zinc/41/51/60/563415160.db2.gz BYIXMMAYHQFRPE-UHFFFAOYSA-N 1 0 343.515 4.948 40 0 EJABRO CCO[P@@](=O)(OCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000006411157 563567579 /nfs/dbraw/zinc/56/75/79/563567579.db2.gz FCIVHNRHDQODPN-XMMPIXPASA-N 1 0 347.395 4.584 40 0 EJABRO CCOc1c(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cccc1OC ZINC000008253455 563624703 /nfs/dbraw/zinc/62/47/03/563624703.db2.gz XHNMNHBNMMRWDT-NJMHRBNOSA-N 1 0 343.511 4.933 40 0 EJABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccccc1Cl ZINC000008472115 563630921 /nfs/dbraw/zinc/63/09/21/563630921.db2.gz HPUBCDHGCQWEIT-UHFFFAOYSA-N 1 0 345.870 4.960 40 0 EJABRO Cc1n(-c2ccccc2)cc(Nc2ccccc2)[n+]1-c1ccccc1 ZINC000016363238 563809724 /nfs/dbraw/zinc/80/97/24/563809724.db2.gz VRMGUBBEFUOBKK-UHFFFAOYSA-N 1 0 326.423 4.806 40 0 EJABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000022517566 563863084 /nfs/dbraw/zinc/86/30/84/563863084.db2.gz QKGCAGRYSNJDRB-UHFFFAOYSA-N 1 0 348.490 4.512 40 0 EJABRO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834043 563922154 /nfs/dbraw/zinc/92/21/54/563922154.db2.gz BXBNAPKSDUQTKH-FQEVSTJZSA-N 1 0 344.458 4.691 40 0 EJABRO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000038833691 563922156 /nfs/dbraw/zinc/92/21/56/563922156.db2.gz ADLWNTZVQMQLTH-HXUWFJFHSA-N 1 0 336.479 4.661 40 0 EJABRO C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(Cl)ccc21 ZINC000038895768 563922360 /nfs/dbraw/zinc/92/23/60/563922360.db2.gz COAPWBUTTSOWLG-LJQANCHMSA-N 1 0 333.834 4.595 40 0 in-vitro EJABRO Cc1ccc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)s1 ZINC000096061589 563978971 /nfs/dbraw/zinc/97/89/71/563978971.db2.gz UWTKDBOLKZLHBR-LEWJYISDSA-N 1 0 341.520 4.669 40 0 EJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214343 563984749 /nfs/dbraw/zinc/98/47/49/563984749.db2.gz NBVJOEGQUUHYNH-INIZCTEOSA-N 1 0 333.476 4.756 40 0 EJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214521 563984798 /nfs/dbraw/zinc/98/47/98/563984798.db2.gz SAKHFMDNNNNMFC-KRWDZBQOSA-N 1 0 347.503 4.636 40 0 EJABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072214573 563984820 /nfs/dbraw/zinc/98/48/20/563984820.db2.gz WEBMAXBFKCSLSH-QGZVFWFLSA-N 1 0 347.503 4.636 40 0 EJABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214637 563984837 /nfs/dbraw/zinc/98/48/37/563984837.db2.gz YIXMVAVUFBXGSD-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CCC ZINC000072214740 563984895 /nfs/dbraw/zinc/98/48/95/563984895.db2.gz NWJDHXBKHNSPHD-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214678 563984918 /nfs/dbraw/zinc/98/49/18/563984918.db2.gz KEQPNMBJMUFZDF-QGZVFWFLSA-N 1 0 347.503 4.778 40 0 EJABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072214918 563985031 /nfs/dbraw/zinc/98/50/31/563985031.db2.gz QOPSKDJFCUSBCP-KRWDZBQOSA-N 1 0 347.503 4.777 40 0 EJABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072215214 563985119 /nfs/dbraw/zinc/98/51/19/563985119.db2.gz QMLMGOLARUOWJV-DOTOQJQBSA-N 1 0 347.503 4.778 40 0 EJABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072215144 563985136 /nfs/dbraw/zinc/98/51/36/563985136.db2.gz GLJXFSGZGBTCQP-DOTOQJQBSA-N 1 0 347.503 4.778 40 0 EJABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216069 563985523 /nfs/dbraw/zinc/98/55/23/563985523.db2.gz LMKHHBZXGSURIQ-NRFANRHFSA-N 1 0 335.495 4.799 40 0 EJABRO COc1ccc2[nH+]c(C)cc(Nc3ccc(OC)c(Cl)c3)c2c1 ZINC000000303353 563996726 /nfs/dbraw/zinc/99/67/26/563996726.db2.gz LPJBDURFGOPNNW-UHFFFAOYSA-N 1 0 328.799 4.957 40 0 EJABRO C[C@H]1CC(C)(C)N(C(=O)C[NH2+]CCC2=CCCCC2)c2ccccc21 ZINC000004894671 564005516 /nfs/dbraw/zinc/00/55/16/564005516.db2.gz AMFNNUAJNVOMEE-KRWDZBQOSA-N 1 0 340.511 4.786 40 0 EJABRO CCCOc1cccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000006943092 564015064 /nfs/dbraw/zinc/01/50/64/564015064.db2.gz YLSGDOWIXALYCE-UHFFFAOYSA-N 1 0 340.467 4.570 40 0 EJABRO COc1cc(C[NH2+]CC(C)C)ccc1OCc1cccc(Cl)c1 ZINC000006883588 564015210 /nfs/dbraw/zinc/01/52/10/564015210.db2.gz WYRFKTCALKNEEG-UHFFFAOYSA-N 1 0 333.859 4.673 40 0 EJABRO CCCOc1ccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000006880911 564015217 /nfs/dbraw/zinc/01/52/17/564015217.db2.gz QMYQFDCNMMRVHW-UHFFFAOYSA-N 1 0 340.467 4.570 40 0 EJABRO Fc1ccc(CC[NH2+]Cc2ccc(OCc3cccs3)cc2)cc1 ZINC000007523982 564015620 /nfs/dbraw/zinc/01/56/20/564015620.db2.gz UWSCGOKENOQIHW-UHFFFAOYSA-N 1 0 341.451 4.799 40 0 EJABRO CC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008227236 564015996 /nfs/dbraw/zinc/01/59/96/564015996.db2.gz URSWZDDZXMYDDV-UHFFFAOYSA-N 1 0 340.250 4.691 40 0 EJABRO COc1ccc2[nH]cc([C@@H]3CC[N@H+](Cc4ccccc4Cl)C3)c2c1 ZINC000057744977 564035017 /nfs/dbraw/zinc/03/50/17/564035017.db2.gz HCOHGEBGCABSNC-CQSZACIVSA-N 1 0 340.854 4.819 40 0 EJABRO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000224526471 564043041 /nfs/dbraw/zinc/04/30/41/564043041.db2.gz MENCWJAVOZUFLZ-LJQANCHMSA-N 1 0 344.543 4.540 40 0 EJABRO Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CC[NH2+]CC2)cc1 ZINC000299803652 564060838 /nfs/dbraw/zinc/06/08/38/564060838.db2.gz KWVBULHZSSFKBV-UHFFFAOYSA-N 1 0 337.854 4.816 40 0 EJABRO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010364361 564127824 /nfs/dbraw/zinc/12/78/24/564127824.db2.gz CRJQNWZRYKJFEQ-UHFFFAOYSA-N 1 0 336.479 4.967 40 0 EJABRO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC000019345191 564127956 /nfs/dbraw/zinc/12/79/56/564127956.db2.gz KWOGBUGUEBNTRS-KFKAGJAMSA-N 1 0 339.483 4.569 40 0 EJABRO C[C@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000004005770 210098561 /nfs/dbraw/zinc/09/85/61/210098561.db2.gz GWNYATQURCVOGA-MCNSAMFCSA-N 1 0 347.543 4.767 40 0 EJABRO Cc1cc(C)nc(/C=C(/NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000104272585 219368327 /nfs/dbraw/zinc/36/83/27/219368327.db2.gz ZTVNNZAFHQRGAA-RCCKNPSSSA-N 1 0 328.415 4.627 40 0 EJABRO COc1ccc(C[NH2+][C@H](Cc2cccs2)c2nc(C)cs2)cc1 ZINC000019240086 202001072 /nfs/dbraw/zinc/00/10/72/202001072.db2.gz KXTFFCYTZAVEDK-QGZVFWFLSA-N 1 0 344.505 4.595 40 0 EJABRO Clc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccccn2)cc1 ZINC000019401955 202007168 /nfs/dbraw/zinc/00/71/68/202007168.db2.gz NDXXEALOHDYODB-MUGJNUQGSA-N 1 0 326.871 4.797 40 0 EJABRO CC(C)c1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 ZINC000019454164 202009259 /nfs/dbraw/zinc/00/92/59/202009259.db2.gz KWOGUJMPTNNLDT-WOZUAGRISA-N 1 0 335.495 4.662 40 0 EJABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(C2CCCCC2)cc1 ZINC000001470099 209753558 /nfs/dbraw/zinc/75/35/58/209753558.db2.gz CHJINILHYQKWHZ-WFXMLNOXSA-N 1 0 345.527 4.737 40 0 EJABRO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000038835217 213228528 /nfs/dbraw/zinc/22/85/28/213228528.db2.gz GEXVWLXTSMIYMU-UHFFFAOYSA-N 1 0 336.479 4.788 40 0 EJABRO CCc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000038835369 213228555 /nfs/dbraw/zinc/22/85/55/213228555.db2.gz KJTAMUQCPACIAI-UHFFFAOYSA-N 1 0 336.479 4.877 40 0 EJABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000038832877 213226546 /nfs/dbraw/zinc/22/65/46/213226546.db2.gz KOADSMKSUDVOOI-SFHVURJKSA-N 1 0 336.479 4.554 40 0 EJABRO Cc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072357675 216164906 /nfs/dbraw/zinc/16/49/06/216164906.db2.gz UPVLEXGNBMIXTI-QHCPKHFHSA-N 1 0 343.474 4.713 40 0 EJABRO C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072348589 216160370 /nfs/dbraw/zinc/16/03/70/216160370.db2.gz BMIVVMOFVFPHCS-HNNXBMFYSA-N 1 0 334.385 4.500 40 0 EJABRO Fc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357710 216164713 /nfs/dbraw/zinc/16/47/13/216164713.db2.gz PNMQPANAEKTVKD-JOCHJYFZSA-N 1 0 347.437 4.544 40 0 EJABRO Cc1cc2nc(-c3ccc[n+](Cc4ccc(F)cc4)c3)oc2cc1C ZINC000226308322 242096222 /nfs/dbraw/zinc/09/62/22/242096222.db2.gz SFCPBQMQKZIOLM-UHFFFAOYSA-N 1 0 333.386 4.587 40 0 EJABRO Cc1cc2nc(-c3ccc[n+](Cc4cccc(F)c4)c3)oc2cc1C ZINC000226308223 242096813 /nfs/dbraw/zinc/09/68/13/242096813.db2.gz VIFKRROCRUFQNI-UHFFFAOYSA-N 1 0 333.386 4.587 40 0 EJABRO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000020459918 212133759 /nfs/dbraw/zinc/13/37/59/212133759.db2.gz BIAQYCQLDSHWRM-QGZVFWFLSA-N 1 0 336.479 4.788 40 0 EJABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072348533 203203014 /nfs/dbraw/zinc/20/30/14/203203014.db2.gz WFZZZZIAHUZHLP-QGZVFWFLSA-N 1 0 336.479 4.879 40 0 EJABRO FC(F)Sc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCC3)cc1 ZINC000019799286 212069939 /nfs/dbraw/zinc/06/99/39/212069939.db2.gz ZARMCKZIPCTRAS-UHFFFAOYSA-N 1 0 343.422 4.693 40 0 EJABRO C[C@@H](C[NH2+][C@H](Cc1ccsc1)c1nccs1)c1ccccc1 ZINC000019456522 212029697 /nfs/dbraw/zinc/02/96/97/212029697.db2.gz NNNZEKCJZYVZOT-WMLDXEAASA-N 1 0 328.506 4.882 40 0 EJABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019339696 212018016 /nfs/dbraw/zinc/01/80/16/212018016.db2.gz VFLJBQSLKAAEQO-FYQPLNBISA-N 1 0 326.871 4.797 40 0 EJABRO Clc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019339701 212017466 /nfs/dbraw/zinc/01/74/66/212017466.db2.gz VFLJBQSLKAAEQO-MUGJNUQGSA-N 1 0 326.871 4.797 40 0 EJABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019339705 212017596 /nfs/dbraw/zinc/01/75/96/212017596.db2.gz VFLJBQSLKAAEQO-ZRNYENFQSA-N 1 0 326.871 4.797 40 0 EJABRO CCCSc1ncc(C[NH2+]C2(c3ccccc3F)CCCC2)cn1 ZINC000012344490 211351948 /nfs/dbraw/zinc/35/19/48/211351948.db2.gz QKEDQXOKJOYODN-UHFFFAOYSA-N 1 0 345.487 4.677 40 0 EJABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OC ZINC000007523462 210810320 /nfs/dbraw/zinc/81/03/20/210810320.db2.gz RQFBDBPBOQLOGR-UHFFFAOYSA-N 1 0 325.880 4.950 40 0 EJABRO C[C@H]1CC2=C(C[C@H]1[C@@H]1OC[C@@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000012556113 207169078 /nfs/dbraw/zinc/16/90/78/207169078.db2.gz GWNYATQURCVOGA-HKJQZYRSSA-N 1 0 347.543 4.767 40 0 EJABRO C[N@@H+]1CCC[C@H]1CCOc1ccccc1Oc1cccc(Cl)c1 ZINC000257215447 536390142 /nfs/dbraw/zinc/39/01/42/536390142.db2.gz CQDKZWFIABNYJD-INIZCTEOSA-N 1 0 331.843 4.995 40 0 EJABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000008253434 563624655 /nfs/dbraw/zinc/62/46/55/563624655.db2.gz MFNFYFXHHFJJBT-UHFFFAOYSA-N 1 0 328.214 4.821 40 0 EJABRO CCC[N@H+]1CC=C(c2nc3ccc(Br)cc3s2)CC1 ZINC000073638882 563931144 /nfs/dbraw/zinc/93/11/44/563931144.db2.gz YWHDYGRBZBUXTH-UHFFFAOYSA-N 1 0 337.286 4.558 40 0 EJABRO C[NH+](C)[C@H]1CCc2ccc3ccccc3c2[C@@H]1OC(=O)c1ccccc1 ZINC000001569706 563392876 /nfs/dbraw/zinc/39/28/76/563392876.db2.gz KWZQTEDIPXRBIH-RBBKRZOGSA-N 1 0 345.442 4.614 40 0 EJABRO COc1cc2cccnc2c(NCC[N@H+](CC(C)C)C2CCCC2)c1 ZINC000001656132 563399542 /nfs/dbraw/zinc/39/95/42/563399542.db2.gz JOVSTYCNHZZENS-UHFFFAOYSA-N 1 0 341.499 4.556 40 0 EJABRO CCCC[N@H+](CCNc1cc(OC)cc2cccnc21)C1CCCC1 ZINC000001656155 563399951 /nfs/dbraw/zinc/39/99/51/563399951.db2.gz FZHODTWZTQRCOB-UHFFFAOYSA-N 1 0 341.499 4.700 40 0 EJABRO CCC[C@H](C)[NH2+]CCOC(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000001710573 563406141 /nfs/dbraw/zinc/40/61/41/563406141.db2.gz GQNBHAGYDQXAES-FXAWDEMLSA-N 1 0 331.500 4.672 40 0 EJABRO CC(C)c1cc(Br)cc(C(C)C)c1OCC[NH+](C)C ZINC000001734062 563408338 /nfs/dbraw/zinc/40/83/38/563408338.db2.gz KWTXXTQYZOIYHP-UHFFFAOYSA-N 1 0 328.294 4.636 40 0 EJABRO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(OCC)cc2c1=O ZINC000001774709 563410902 /nfs/dbraw/zinc/41/09/02/563410902.db2.gz OTEIXDGHLAGSOF-UHFFFAOYSA-N 1 0 344.499 4.637 40 0 EJABRO CC1=C[C@H](C)[C@H](C[N@@H+](CCO)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1 ZINC000004763831 563510819 /nfs/dbraw/zinc/51/08/19/563510819.db2.gz KUFAUZJRIITNBN-BPIQYHPVSA-N 1 0 333.560 4.758 40 0 EJABRO COc1cc2cccnc2c(NCC[N@H+](CC(C)C)[C@@H](C)C(C)C)c1 ZINC000005834711 563551827 /nfs/dbraw/zinc/55/18/27/563551827.db2.gz QOFYEMDBVKFVBT-KRWDZBQOSA-N 1 0 343.515 4.658 40 0 EJABRO C[NH+](C)[C@@H]1CCc2c3ccccc3ccc2[C@@H]1OC(=O)c1ccccc1 ZINC000006437240 563568004 /nfs/dbraw/zinc/56/80/04/563568004.db2.gz MABOKCQFSCINST-YADHBBJMSA-N 1 0 345.442 4.614 40 0 EJABRO CCCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000007261282 563598294 /nfs/dbraw/zinc/59/82/94/563598294.db2.gz DCCKYMHPJPXKCK-UHFFFAOYSA-N 1 0 331.431 4.693 40 0 EJABRO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000007261079 563598387 /nfs/dbraw/zinc/59/83/87/563598387.db2.gz JCRJEVJDFKBPNM-UHFFFAOYSA-N 1 0 327.468 4.944 40 0 EJABRO CCCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000007261349 563598641 /nfs/dbraw/zinc/59/86/41/563598641.db2.gz UEIUTJULNKBMFO-UHFFFAOYSA-N 1 0 331.431 4.693 40 0 EJABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OC ZINC000008253688 563624708 /nfs/dbraw/zinc/62/47/08/563624708.db2.gz WGBPVADIFUNPEM-UHFFFAOYSA-N 1 0 340.250 4.691 40 0 EJABRO CC[C@@H](C)[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008325967 563626551 /nfs/dbraw/zinc/62/65/51/563626551.db2.gz YVRYZJYTJNWDKD-CQSZACIVSA-N 1 0 333.859 4.816 40 0 EJABRO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000008326695 563626781 /nfs/dbraw/zinc/62/67/81/563626781.db2.gz RMJKPJMVNJRAJD-AWEZNQCLSA-N 1 0 348.284 4.916 40 0 EJABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccccc1 ZINC000008471976 563630969 /nfs/dbraw/zinc/63/09/69/563630969.db2.gz GXCKCLWUHPKMJJ-UHFFFAOYSA-N 1 0 325.452 4.697 40 0 EJABRO CC(C)[NH+](CC[C@@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C ZINC000013905196 563729089 /nfs/dbraw/zinc/72/90/89/563729089.db2.gz DUXZAXCGJSBGDW-FQEVSTJZSA-N 1 0 341.495 4.525 40 0 in-vitro EJABRO C[NH2+][C@H]1C(c2ccc(C)cc2)=NN(c2ccccc2)[C@H]1c1ccccc1 ZINC000031638246 563912890 /nfs/dbraw/zinc/91/28/90/563912890.db2.gz HDSOFYVWMRYEQH-GOTSBHOMSA-N 1 0 341.458 4.549 40 0 EJABRO CO[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccc(C)cc21 ZINC000096100187 563979195 /nfs/dbraw/zinc/97/91/95/563979195.db2.gz GDLUJQUMHPMSLY-IBGZPJMESA-N 1 0 327.493 4.682 40 0 EJABRO Cc1sc2ccccc2c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000096305882 563980691 /nfs/dbraw/zinc/98/06/91/563980691.db2.gz NUELMXAUZJZVEL-UHFFFAOYSA-N 1 0 336.504 4.528 40 0 EJABRO CC[NH+](CC)CCOc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC000585265141 563981090 /nfs/dbraw/zinc/98/10/90/563981090.db2.gz HKVUTQNDVFVYJQ-UHFFFAOYSA-N 1 0 337.822 4.992 40 0 EJABRO CC[NH+](CC)CCOc1ccc(F)cc1Oc1cccc(Cl)c1 ZINC000585265224 563981103 /nfs/dbraw/zinc/98/11/03/563981103.db2.gz JKXUFECZVFKNRD-UHFFFAOYSA-N 1 0 337.822 4.992 40 0 EJABRO Cc1ccc(Oc2ccc(F)cc2OCC[C@@H]2CCC[N@H+]2C)cc1 ZINC000585266160 563981162 /nfs/dbraw/zinc/98/11/62/563981162.db2.gz BSDPBUMLOKKVSS-KRWDZBQOSA-N 1 0 329.415 4.790 40 0 EJABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000072215634 563984356 /nfs/dbraw/zinc/98/43/56/563984356.db2.gz DOPSODROKTXFPQ-KRWDZBQOSA-N 1 0 345.487 4.580 40 0 EJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214340 563984652 /nfs/dbraw/zinc/98/46/52/563984652.db2.gz YDMLKMFGJDTJEX-MRXNPFEDSA-N 1 0 333.476 4.612 40 0 EJABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214549 563984810 /nfs/dbraw/zinc/98/48/10/563984810.db2.gz IUZIZWWQZXXVEM-QGZVFWFLSA-N 1 0 347.503 4.636 40 0 EJABRO CC[N@@H+]1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214550 563984858 /nfs/dbraw/zinc/98/48/58/563984858.db2.gz IUZIZWWQZXXVEM-KRWDZBQOSA-N 1 0 347.503 4.636 40 0 EJABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214623 563984866 /nfs/dbraw/zinc/98/48/66/563984866.db2.gz YXTRARIHYWFJCB-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CCC)cn1 ZINC000072214679 563984951 /nfs/dbraw/zinc/98/49/51/563984951.db2.gz FDHSGONMUSRFER-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215434 563985302 /nfs/dbraw/zinc/98/53/02/563985302.db2.gz OMIWARQJOVQPLL-KRWDZBQOSA-N 1 0 345.487 4.532 40 0 EJABRO CC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008227309 564016025 /nfs/dbraw/zinc/01/60/25/564016025.db2.gz AAWRMQJOTWLKIB-UHFFFAOYSA-N 1 0 340.250 4.691 40 0 EJABRO C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008377364 564016179 /nfs/dbraw/zinc/01/61/79/564016179.db2.gz WRMVNUZNJCGUFI-UHFFFAOYSA-N 1 0 330.642 4.945 40 0 EJABRO COc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OC ZINC000008534514 564016309 /nfs/dbraw/zinc/01/63/09/564016309.db2.gz VYPORFIFMNFWMO-SHYIKFMPSA-N 1 0 329.484 4.542 40 0 EJABRO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000014163201 564021552 /nfs/dbraw/zinc/02/15/52/564021552.db2.gz WPGVZYFVIIEJQI-OAQYLSRUSA-N 1 0 332.447 4.886 40 0 EJABRO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC000019345195 564023529 /nfs/dbraw/zinc/02/35/29/564023529.db2.gz KWOGBUGUEBNTRS-ATZDWAIDSA-N 1 0 339.483 4.569 40 0 EJABRO CCCC[C@H](CC)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224095702 564041685 /nfs/dbraw/zinc/04/16/85/564041685.db2.gz BEGWERSHDIFBFC-SFHVURJKSA-N 1 0 330.516 4.619 40 0 EJABRO COc1cc2c(cc1OC)[C@@H](CCc1ccc(Cl)cc1)[N@H+](C)CC2 ZINC000002038844 564058172 /nfs/dbraw/zinc/05/81/72/564058172.db2.gz YBCPYHQFUMNOJG-GOSISDBHSA-N 1 0 345.870 4.519 40 0 in-man EJABRO CC(C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000328957300 564070922 /nfs/dbraw/zinc/07/09/22/564070922.db2.gz AJXWZUNLGGARPM-UHFFFAOYSA-N 1 0 338.499 4.718 40 0 EJABRO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000328979562 564071179 /nfs/dbraw/zinc/07/11/79/564071179.db2.gz GGDWQVXOSKPXSW-CVEARBPZSA-N 1 0 338.499 4.762 40 0 EJABRO CC(C)c1nc(N2Cc3ccccc3CC2(C)C)cc(NC2CC2)[nH+]1 ZINC000329063794 564072056 /nfs/dbraw/zinc/07/20/56/564072056.db2.gz XFDQDDBAODAMFW-UHFFFAOYSA-N 1 0 336.483 4.516 40 0 EJABRO COc1ccc(C[NH2+]Cc2cc3c(C)cc(C)cc3nc2Cl)cc1 ZINC000013535366 564074277 /nfs/dbraw/zinc/07/42/77/564074277.db2.gz MTTVCSBVOSWCKV-UHFFFAOYSA-N 1 0 340.854 4.803 40 0 EJABRO CC(C)=CCCC1=CC[C@@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@H](C)C1 ZINC000004026388 210103254 /nfs/dbraw/zinc/10/32/54/210103254.db2.gz XIHJFMFAIYGPCL-FVTFTPSCSA-N 1 0 347.543 4.933 40 0 EJABRO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC000019345173 202006403 /nfs/dbraw/zinc/00/64/03/202006403.db2.gz KWOGBUGUEBNTRS-MNEFBYGVSA-N 1 0 339.483 4.569 40 0 EJABRO CC(C)c1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 ZINC000019454168 202008690 /nfs/dbraw/zinc/00/86/90/202008690.db2.gz KWOGUJMPTNNLDT-CGXNFDGLSA-N 1 0 335.495 4.662 40 0 EJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000038833903 213228009 /nfs/dbraw/zinc/22/80/09/213228009.db2.gz DPVFELTWCQXKCW-OAHLLOKOSA-N 1 0 342.870 4.824 40 0 EJABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(C)c1 ZINC000020459660 202043594 /nfs/dbraw/zinc/04/35/94/202043594.db2.gz GBISTHHJHVBPJB-UHFFFAOYSA-N 1 0 336.479 4.788 40 0 EJABRO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000020459919 202044611 /nfs/dbraw/zinc/04/46/11/202044611.db2.gz BIAQYCQLDSHWRM-KRWDZBQOSA-N 1 0 336.479 4.788 40 0 EJABRO O=C(CN(C1=[NH+]CCCCC1)C1CCCCC1)c1ccc(F)cc1 ZINC000041104947 202472252 /nfs/dbraw/zinc/47/22/52/202472252.db2.gz ZIAFUYYCXHUIRH-UHFFFAOYSA-N 1 0 330.447 4.616 40 0 EJABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072357677 216164832 /nfs/dbraw/zinc/16/48/32/216164832.db2.gz ZGFRJZOABJARIB-QFIPXVFZSA-N 1 0 347.437 4.544 40 0 EJABRO Fc1ccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000072358333 216166192 /nfs/dbraw/zinc/16/61/92/216166192.db2.gz WARDIGCXGGAHAL-KRWDZBQOSA-N 1 0 339.458 4.795 40 0 EJABRO Fc1ccccc1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348923 216160094 /nfs/dbraw/zinc/16/00/94/216160094.db2.gz DNJDHSPBBJZVRY-QGZVFWFLSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348834 216160653 /nfs/dbraw/zinc/16/06/53/216160653.db2.gz YMOCWUUGHXYCNJ-LJQANCHMSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348921 216161100 /nfs/dbraw/zinc/16/11/00/216161100.db2.gz JMPAYXRZELBZDR-SFHVURJKSA-N 1 0 347.437 4.662 40 0 EJABRO Fc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000072357667 216163481 /nfs/dbraw/zinc/16/34/81/216163481.db2.gz IKUXFRYUDGFTKI-QFIPXVFZSA-N 1 0 347.437 4.544 40 0 EJABRO Fc1cccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)c1 ZINC000072357670 216163575 /nfs/dbraw/zinc/16/35/75/216163575.db2.gz QSVDZCPLUKSPIP-JOCHJYFZSA-N 1 0 347.437 4.544 40 0 EJABRO CCC[C@](O)(c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000027241991 212550951 /nfs/dbraw/zinc/55/09/51/212550951.db2.gz FZFRYOBRYWNHTG-PKTZIBPZSA-N 1 0 337.507 4.944 40 0 EJABRO NC(=[NH2+])c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000026896770 212538776 /nfs/dbraw/zinc/53/87/76/212538776.db2.gz ZKFKMIMWRGYSPM-UHFFFAOYSA-N 1 0 332.247 4.675 40 0 EJABRO CCC[n+]1cc(Br)cc(-c2nc3cc(CC)ccc3o2)c1 ZINC000226774811 242115848 /nfs/dbraw/zinc/11/58/48/242115848.db2.gz OCCHKULYMANHLU-UHFFFAOYSA-N 1 0 346.248 4.517 40 0 EJABRO Cc1ccc(-c2c3ccccc3nc(N)c2C[NH+]2CCCCC2)cc1 ZINC000020506701 212141010 /nfs/dbraw/zinc/14/10/10/212141010.db2.gz SJEAILFZJCTPMR-UHFFFAOYSA-N 1 0 331.463 4.778 40 0 EJABRO Cc1ccc2c(c1)oc1c2CC(C)(C)[C@@H]2CC3(CC[NH2+]CC3)CO[C@@H]12 ZINC000257202510 244124371 /nfs/dbraw/zinc/12/43/71/244124371.db2.gz AMEHETXQLIRHNR-YLJYHZDGSA-N 1 0 339.479 4.771 40 0 EJABRO Fc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348839 203203337 /nfs/dbraw/zinc/20/33/37/203203337.db2.gz CLCDALOQQUCTTF-IBGZPJMESA-N 1 0 347.437 4.662 40 0 EJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1 ZINC000020110774 212102267 /nfs/dbraw/zinc/10/22/67/212102267.db2.gz GBRHKKAGLPJOOB-HNNXBMFYSA-N 1 0 342.870 4.824 40 0 EJABRO Cc1csc(Nc2cccc(C3CC[NH+](C4CCCC4)CC3)n2)n1 ZINC000257344119 244581028 /nfs/dbraw/zinc/58/10/28/244581028.db2.gz ZVULGNKFIHCYBE-UHFFFAOYSA-N 1 0 342.512 4.712 40 0 EJABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccccn2)cc1 ZINC000019401958 212025687 /nfs/dbraw/zinc/02/56/87/212025687.db2.gz NDXXEALOHDYODB-ZRNYENFQSA-N 1 0 326.871 4.797 40 0 EJABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccccn2)cc1 ZINC000019401952 212026262 /nfs/dbraw/zinc/02/62/62/212026262.db2.gz NDXXEALOHDYODB-FYQPLNBISA-N 1 0 326.871 4.797 40 0 EJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)cc2Cl)on1 ZINC000019120567 212000957 /nfs/dbraw/zinc/00/09/57/212000957.db2.gz PXVCBFGRUACGFK-YVEFUNNKSA-N 1 0 339.266 4.791 40 0 EJABRO Cc1ccc(C[NH+](CCCn2ccnc2)Cc2ccc(C)s2)s1 ZINC000013991337 211666465 /nfs/dbraw/zinc/66/64/65/211666465.db2.gz TWKPRCPNOUJQIK-UHFFFAOYSA-N 1 0 345.537 4.715 40 0 EJABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1 ZINC000012337880 211351008 /nfs/dbraw/zinc/35/10/08/211351008.db2.gz OEONADRMHBXMJH-FYQPLNBISA-N 1 0 331.887 4.549 40 0 EJABRO CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C ZINC000000006047 208548671 /nfs/dbraw/zinc/54/86/71/208548671.db2.gz DUXZAXCGJSBGDW-HXUWFJFHSA-N 1 0 341.495 4.525 40 0 endogenous,world EJABRO COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)([NH+](C)C)[C@@]3(C)CC[C@H]21 ZINC000004900233 210316704 /nfs/dbraw/zinc/31/67/04/210316704.db2.gz IXZPZMBLHXZOLG-LLVBAIKDSA-N 1 0 327.512 4.872 40 0 EJABRO CCCCCC(CCCCC)[NH2+]C[C@H](C)OC(=O)c1ccc(N)cc1 ZINC000004825049 210288896 /nfs/dbraw/zinc/28/88/96/210288896.db2.gz HKRGKXGAYVHIKD-KRWDZBQOSA-N 1 0 348.531 4.933 40 0 EJABRO C[C@@H]([NH3+])[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930501 221205139 /nfs/dbraw/zinc/20/51/39/221205139.db2.gz XIWYUYGZLTUXIP-LHJWCSHPSA-N 1 0 331.544 4.520 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CCC)cn1 ZINC000072214680 257688569 /nfs/dbraw/zinc/68/85/69/257688569.db2.gz FDHSGONMUSRFER-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257246841 535301212 /nfs/dbraw/zinc/30/12/12/535301212.db2.gz IWAREPFVNANSOY-QGZVFWFLSA-N 1 0 337.467 4.558 40 0 EJABRO CCC(=O)N1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257246840 535306222 /nfs/dbraw/zinc/30/62/22/535306222.db2.gz IWAREPFVNANSOY-KRWDZBQOSA-N 1 0 337.467 4.558 40 0 EJABRO CC(C)CCC[C@@]1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[NH2+]C[C@H]3C[C@H]21 ZINC000257217365 535384735 /nfs/dbraw/zinc/38/47/35/535384735.db2.gz CYQADWYJXDXBLO-QYWQTSRKSA-N 1 0 343.511 4.720 40 0 EJABRO C[N@@H+]1CCC[C@@H]1CCOc1ccccc1Oc1ccc(Cl)cc1 ZINC000257204968 536371096 /nfs/dbraw/zinc/37/10/96/536371096.db2.gz AXBOCMUOFVYRHJ-MRXNPFEDSA-N 1 0 331.843 4.995 40 0 EJABRO CCOc1ccc(Br)cc1C[NH2+]C1CCCCCC1 ZINC000008324499 563626079 /nfs/dbraw/zinc/62/60/79/563626079.db2.gz UKAHAISKJGYVLK-UHFFFAOYSA-N 1 0 326.278 4.660 40 0 EJABRO C[C@H](OC(=O)C[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000001569403 563392838 /nfs/dbraw/zinc/39/28/38/563392838.db2.gz WWFXXOLLBWVWJA-GHTZIAJQSA-N 1 0 337.463 4.908 40 0 EJABRO CCCC[N@H+](CCNc1cc(OC)cc2cccnc21)[C@H](C)CC ZINC000001656150 563399537 /nfs/dbraw/zinc/39/95/37/563399537.db2.gz HQNULEHJYXEBBF-MRXNPFEDSA-N 1 0 329.488 4.556 40 0 EJABRO CCO[C@H](C[NH+](CC)CC)c1ccc(CCc2ccccc2)cc1 ZINC000001665697 563400674 /nfs/dbraw/zinc/40/06/74/563400674.db2.gz LNHBDBUKNFBEPP-JOCHJYFZSA-N 1 0 325.496 4.891 40 0 EJABRO COc1cc2cccnc2c(NCCCCC[NH2+]C2CCCCC2)c1 ZINC000001666859 563401003 /nfs/dbraw/zinc/40/10/03/563401003.db2.gz JHCYTGNMORVIKN-UHFFFAOYSA-N 1 0 341.499 4.748 40 0 EJABRO C[NH+](C)Cc1ccccc1C(=O)C(c1ccccc1)c1ccccc1 ZINC000001677215 563402436 /nfs/dbraw/zinc/40/24/36/563402436.db2.gz GPMLXMNBPTVPMR-UHFFFAOYSA-N 1 0 329.443 4.763 40 0 EJABRO CC[NH+](CC)C[C@H](C)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698640 563404138 /nfs/dbraw/zinc/40/41/38/563404138.db2.gz RUSRLRVPPPZXLK-LAUBAEHRSA-N 1 0 345.914 4.748 40 0 EJABRO C[C@H](C[NH+]1CCCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698660 563404678 /nfs/dbraw/zinc/40/46/78/563404678.db2.gz MEHPGVGVBWKTJB-UTKZUKDTSA-N 1 0 343.898 4.502 40 0 EJABRO CCC[C@@H](C)[NH2+]CCOC(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000001710572 563406201 /nfs/dbraw/zinc/40/62/01/563406201.db2.gz GQNBHAGYDQXAES-YLJYHZDGSA-N 1 0 331.500 4.672 40 0 EJABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(C)c(Br)c1 ZINC000005973433 563556259 /nfs/dbraw/zinc/55/62/59/563556259.db2.gz KXKDEORXASPZRH-QGZVFWFLSA-N 1 0 342.321 4.693 40 0 EJABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCC ZINC000008253907 563624672 /nfs/dbraw/zinc/62/46/72/563624672.db2.gz ZWBDYLSWLSABAT-AWEZNQCLSA-N 1 0 333.859 4.988 40 0 EJABRO CCOc1c(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008253373 563624728 /nfs/dbraw/zinc/62/47/28/563624728.db2.gz MACNAAYMXGGDOY-UHFFFAOYSA-N 1 0 349.902 4.806 40 0 EJABRO COc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccccc1 ZINC000008495528 563631129 /nfs/dbraw/zinc/63/11/29/563631129.db2.gz FTKXFFSISLDQRE-UHFFFAOYSA-N 1 0 333.431 4.564 40 0 EJABRO Fc1ccccc1COc1cccc(C[NH2+]CCc2ccccc2)c1 ZINC000016479384 563812349 /nfs/dbraw/zinc/81/23/49/563812349.db2.gz DLCYZVAFLBNZCF-UHFFFAOYSA-N 1 0 335.422 4.737 40 0 EJABRO c1ccc2c(c1)nc(C[NH+]1CCCC1)n2Cc1ccc2ccccc2c1 ZINC000027789156 563899510 /nfs/dbraw/zinc/89/95/10/563899510.db2.gz WBQUFIHPABPVJH-UHFFFAOYSA-N 1 0 341.458 4.834 40 0 EJABRO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834044 563922172 /nfs/dbraw/zinc/92/21/72/563922172.db2.gz BXBNAPKSDUQTKH-HXUWFJFHSA-N 1 0 344.458 4.691 40 0 EJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000044935457 563928499 /nfs/dbraw/zinc/92/84/99/563928499.db2.gz PJCVLTZXEDSIEQ-OAQYLSRUSA-N 1 0 336.479 4.554 40 0 EJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3CC3CCCCC3)o2)s1 ZINC000060016742 563949504 /nfs/dbraw/zinc/94/95/04/563949504.db2.gz SOLCJGSERISRDY-OAHLLOKOSA-N 1 0 331.485 4.824 40 0 EJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214520 563984801 /nfs/dbraw/zinc/98/48/01/563984801.db2.gz SAKHFMDNNNNMFC-QGZVFWFLSA-N 1 0 347.503 4.636 40 0 EJABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214636 563984817 /nfs/dbraw/zinc/98/48/17/563984817.db2.gz YIXMVAVUFBXGSD-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072214695 563984908 /nfs/dbraw/zinc/98/49/08/563984908.db2.gz NVGHZYPQVGZKLW-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CCC ZINC000072214739 563984915 /nfs/dbraw/zinc/98/49/15/563984915.db2.gz NWJDHXBKHNSPHD-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072214992 563985070 /nfs/dbraw/zinc/98/50/70/563985070.db2.gz MZFKOPJPRLRJJT-KRWDZBQOSA-N 1 0 347.503 4.780 40 0 EJABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072215255 563985249 /nfs/dbraw/zinc/98/52/49/563985249.db2.gz AYUZVIXLECWNNY-NVXWUHKLSA-N 1 0 347.503 4.778 40 0 EJABRO C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215548 563985293 /nfs/dbraw/zinc/98/52/93/563985293.db2.gz HGRQBAFJBFWAEJ-QGZVFWFLSA-N 1 0 345.487 4.532 40 0 EJABRO Cc1nc(N2CCCC2)ccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218946 563985754 /nfs/dbraw/zinc/98/57/54/563985754.db2.gz BZCWEIFEUZEXTL-NRFANRHFSA-N 1 0 335.495 4.717 40 0 EJABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CCCc2ccccc21 ZINC000072222882 563985837 /nfs/dbraw/zinc/98/58/37/563985837.db2.gz SJDPXHKXRVZXMW-OAQYLSRUSA-N 1 0 329.447 4.522 40 0 EJABRO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260449449 563999648 /nfs/dbraw/zinc/99/96/48/563999648.db2.gz VOQPZMDYLYAFEW-ZWKOTPCHSA-N 1 0 348.490 4.510 40 0 EJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000006891369 564015240 /nfs/dbraw/zinc/01/52/40/564015240.db2.gz GRTYAHGSVULBAZ-UHFFFAOYSA-N 1 0 332.447 4.934 40 0 EJABRO CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000007262369 564015472 /nfs/dbraw/zinc/01/54/72/564015472.db2.gz VBHUJMDBVIYADR-UHFFFAOYSA-N 1 0 333.859 4.817 40 0 EJABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccccc3)o2)cc1 ZINC000007519748 564015566 /nfs/dbraw/zinc/01/55/66/564015566.db2.gz LURVNKLWPQGTRF-INIZCTEOSA-N 1 0 349.430 4.974 40 0 EJABRO CC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008227232 564016013 /nfs/dbraw/zinc/01/60/13/564016013.db2.gz UBZXAARGQFZNPF-UHFFFAOYSA-N 1 0 340.250 4.691 40 0 EJABRO CCn1cc(C[N@H+](CCc2ccccc2)Cc2cccs2)c(C)n1 ZINC000013997255 564020874 /nfs/dbraw/zinc/02/08/74/564020874.db2.gz NAOZJODITHVIHF-UHFFFAOYSA-N 1 0 339.508 4.518 40 0 EJABRO Fc1ccc(C2=CC[N@H+](Cc3c4cccnc4[nH]c3C3CC3)CC2)cc1 ZINC000057761909 564035274 /nfs/dbraw/zinc/03/52/74/564035274.db2.gz OZXRTPBDOCVQKK-UHFFFAOYSA-N 1 0 347.437 4.869 40 0 EJABRO CCCC[C@@H](CC)CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000224331057 564042403 /nfs/dbraw/zinc/04/24/03/564042403.db2.gz YIGCPSKLMAROCQ-LJQANCHMSA-N 1 0 344.543 4.865 40 0 EJABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000002694448 564065669 /nfs/dbraw/zinc/06/56/69/564065669.db2.gz HVYPGZIRVLSJMJ-SJORKVTESA-N 1 0 335.532 4.744 40 0 EJABRO O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010338269 564127783 /nfs/dbraw/zinc/12/77/83/564127783.db2.gz IABNBWXAAMFYLZ-UHFFFAOYSA-N 1 0 349.261 4.842 40 0 EJABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000010334671 564127785 /nfs/dbraw/zinc/12/77/85/564127785.db2.gz UZYWTYBNCSOGGQ-UHFFFAOYSA-N 1 0 342.870 4.887 40 0 EJABRO COc1cc2cc(-c3ccc(Cl)c(Cl)c3)[n+](C)cc2cc1OC ZINC000001565431 209760968 /nfs/dbraw/zinc/76/09/68/209760968.db2.gz DWPYTXWHOCRIBP-UHFFFAOYSA-N 1 0 349.237 4.655 40 0 EJABRO Cc1cc(C)cc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000038833560 213227960 /nfs/dbraw/zinc/22/79/60/213227960.db2.gz HSRLBPQGZMTCGY-UHFFFAOYSA-N 1 0 336.479 4.932 40 0 EJABRO c1ccc(C2CCC(N3CC[NH+]([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000022459713 202085077 /nfs/dbraw/zinc/08/50/77/202085077.db2.gz LRFGDHOYBPTOBR-RKFHCUQFSA-N 1 0 338.539 4.519 40 0 EJABRO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030866762 202200866 /nfs/dbraw/zinc/20/08/66/202200866.db2.gz LYHKDNBYXQTMKZ-SFHVURJKSA-N 1 0 348.490 4.510 40 0 EJABRO CCOc1cc(O)cc([C@H](Cc2ccccc2)[NH2+]Cc2ccccc2)c1 ZINC000031923720 202212983 /nfs/dbraw/zinc/21/29/83/202212983.db2.gz VELFDPIFGLOMIY-QHCPKHFHSA-N 1 0 347.458 4.865 40 0 EJABRO Cc1ccc2oc([C@H]3CC[N@H+](Cc4cccc(Cl)c4)C3)nc2c1 ZINC000035446471 202302935 /nfs/dbraw/zinc/30/29/35/202302935.db2.gz LHUUGKQLMUDCTQ-HNNXBMFYSA-N 1 0 326.827 4.779 40 0 biogenic,in-vitro EJABRO CC(C)[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358408 216165364 /nfs/dbraw/zinc/16/53/64/216165364.db2.gz XWOWUMJXYSIURX-HNNXBMFYSA-N 1 0 349.400 4.750 40 0 EJABRO Fc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348803 216160451 /nfs/dbraw/zinc/16/04/51/216160451.db2.gz DAKRJXSWRPNPIO-IBGZPJMESA-N 1 0 347.437 4.662 40 0 EJABRO Cc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348920 216160984 /nfs/dbraw/zinc/16/09/84/216160984.db2.gz QEGMCYJDJOFWRO-FQEVSTJZSA-N 1 0 343.474 4.832 40 0 EJABRO Cc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000072357664 216163706 /nfs/dbraw/zinc/16/37/06/216163706.db2.gz ZGTMWPAFCHLTNS-HSZRJFAPSA-N 1 0 343.474 4.713 40 0 EJABRO Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375263 216179508 /nfs/dbraw/zinc/17/95/08/216179508.db2.gz RTRCDARWIGPSMD-HXUWFJFHSA-N 1 0 344.462 4.866 40 0 EJABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072379137 216180635 /nfs/dbraw/zinc/18/06/35/216180635.db2.gz HHONOEALTFJAFN-KRWDZBQOSA-N 1 0 338.499 4.513 40 0 EJABRO CCOc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008324725 201363787 /nfs/dbraw/zinc/36/37/87/201363787.db2.gz DDHLGWJQGGGODY-VZLUNSFSSA-N 1 0 343.511 4.788 40 0 EJABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(Cl)c(Cl)c1 ZINC000023247842 212364076 /nfs/dbraw/zinc/36/40/76/212364076.db2.gz URGQVWZBKCBSRV-UHFFFAOYSA-N 1 0 343.323 4.619 40 0 EJABRO Cc1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000022525363 212304221 /nfs/dbraw/zinc/30/42/21/212304221.db2.gz GNUXNUVJQHLNNQ-UHFFFAOYSA-N 1 0 336.479 4.788 40 0 EJABRO CCn1c2ccccc2c2cc(C[NH2+]C[C@H](O)c3ccccc3)ccc21 ZINC000022076210 212276281 /nfs/dbraw/zinc/27/62/81/212276281.db2.gz ZNJQJKYNVCKKJV-QHCPKHFHSA-N 1 0 344.458 4.638 40 0 EJABRO Fc1cccc(C[n+]2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000226308260 242096779 /nfs/dbraw/zinc/09/67/79/242096779.db2.gz MFKYCOKWLNMAJX-UHFFFAOYSA-N 1 0 339.777 4.623 40 0 EJABRO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020458564 212133120 /nfs/dbraw/zinc/13/31/20/212133120.db2.gz VOQPZMDYLYAFEW-MSOLQXFVSA-N 1 0 348.490 4.510 40 0 EJABRO Cc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000019932551 212086464 /nfs/dbraw/zinc/08/64/64/212086464.db2.gz KSCNRTGORJULMH-INIZCTEOSA-N 1 0 336.479 4.788 40 0 EJABRO CC(C)c1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000019454170 212028257 /nfs/dbraw/zinc/02/82/57/212028257.db2.gz KWOGUJMPTNNLDT-ANULTFPQSA-N 1 0 335.495 4.662 40 0 EJABRO Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccccn2)cc1 ZINC000019401961 212026086 /nfs/dbraw/zinc/02/60/86/212026086.db2.gz NDXXEALOHDYODB-YRPNKDGESA-N 1 0 326.871 4.797 40 0 EJABRO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC000019345169 212019662 /nfs/dbraw/zinc/01/96/62/212019662.db2.gz KWOGBUGUEBNTRS-SNRMKQJTSA-N 1 0 339.483 4.569 40 0 EJABRO Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000049168983 204369632 /nfs/dbraw/zinc/36/96/32/204369632.db2.gz NYOTXGSFKOVFGP-HNNXBMFYSA-N 1 0 325.843 4.514 40 0 biogenic,in-vitro EJABRO Cc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000019287284 212009775 /nfs/dbraw/zinc/00/97/75/212009775.db2.gz NGCQAPOEQAJGRR-FYQPLNBISA-N 1 0 341.886 4.500 40 0 EJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019120540 212001141 /nfs/dbraw/zinc/00/11/41/212001141.db2.gz VBMOVJUSAAYPEK-SUMWQHHRSA-N 1 0 339.266 4.791 40 0 EJABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4cccs4)CC3)o2)s1 ZINC000019217866 212005693 /nfs/dbraw/zinc/00/56/93/212005693.db2.gz FYNLHVPBJYHBMA-UHFFFAOYSA-N 1 0 345.493 4.548 40 0 EJABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccsc4)CC3)o2)s1 ZINC000019217871 212005470 /nfs/dbraw/zinc/00/54/70/212005470.db2.gz PVXYJEZGPULRQU-UHFFFAOYSA-N 1 0 345.493 4.548 40 0 EJABRO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccccc1Cl ZINC000006883590 206520476 /nfs/dbraw/zinc/52/04/76/206520476.db2.gz BFTBFCBZKSTRHZ-UHFFFAOYSA-N 1 0 333.859 4.673 40 0 EJABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000007538283 210811734 /nfs/dbraw/zinc/81/17/34/210811734.db2.gz GSOUSFJZUNVOMX-UHFFFAOYSA-N 1 0 333.431 4.564 40 0 EJABRO CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000007262326 210775892 /nfs/dbraw/zinc/77/58/92/210775892.db2.gz XVTLITMPEOWWMU-UHFFFAOYSA-N 1 0 333.859 4.817 40 0 EJABRO C[C@@H]1CC2=C(C[C@H]1[C@@H]1OC[C@@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000012556111 207169367 /nfs/dbraw/zinc/16/93/67/207169367.db2.gz GWNYATQURCVOGA-XLBJILASSA-N 1 0 347.543 4.767 40 0 EJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000000568279 257869830 /nfs/dbraw/zinc/86/98/30/257869830.db2.gz HYHIKONADJANDM-UHFFFAOYSA-N 1 0 330.859 4.743 40 0 EJABRO Oc1ccc2[nH]cc(CCCC[N@H+]3CC=C(c4ccccc4)CC3)c2c1 ZINC000001548439 563391830 /nfs/dbraw/zinc/39/18/30/563391830.db2.gz HGEYJZMMUGWEOT-UHFFFAOYSA-N 1 0 346.474 4.986 40 0 aggregator,in-man EJABRO CC[NH+](CC)C1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000001592047 563395129 /nfs/dbraw/zinc/39/51/29/563395129.db2.gz JLAYDKVSQLVTNK-UHFFFAOYSA-N 1 0 331.891 4.953 40 0 EJABRO CC[NH+](CC)CCOc1cc(C)c2cc(Cc3ccccc3)ccc2n1 ZINC000001600065 563395715 /nfs/dbraw/zinc/39/57/15/563395715.db2.gz KRNOKRUOBFDKBN-UHFFFAOYSA-N 1 0 348.490 4.855 40 0 EJABRO COc1cc2cccnc2c(N[C@H](C)C[NH+](CC(C)C)CC(C)C)c1 ZINC000001656153 563400019 /nfs/dbraw/zinc/40/00/19/563400019.db2.gz USEIZQSPHUMIPW-QGZVFWFLSA-N 1 0 343.515 4.658 40 0 EJABRO CCC(CC)[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000001666858 563401032 /nfs/dbraw/zinc/40/10/32/563401032.db2.gz MVOMWXFLAONTKN-UHFFFAOYSA-N 1 0 329.488 4.604 40 0 EJABRO CC[NH+](CC)CCCCCCNc1cc(OC)c(C)c2cccnc12 ZINC000001683239 563403184 /nfs/dbraw/zinc/40/31/84/563403184.db2.gz BTHUSZGHPZNEAM-UHFFFAOYSA-N 1 0 343.515 4.866 40 0 EJABRO CSc1ccc2c(c1)c(CC[NH3+])c(C)n2Cc1ccccc1Cl ZINC000001758668 563409915 /nfs/dbraw/zinc/40/99/15/563409915.db2.gz XNGZKLFCPYJUAT-UHFFFAOYSA-N 1 0 344.911 4.875 40 0 in-vitro EJABRO CCOc1cccc2c1ncc(C)c2N[C@H](C)CCC[NH+](CC)CC ZINC000002042682 563419084 /nfs/dbraw/zinc/41/90/84/563419084.db2.gz TXPFYPNVDMETIO-QGZVFWFLSA-N 1 0 343.515 4.864 40 0 EJABRO CCCC[NH2+]C(C)(C)COC(=O)/C=C/c1ccc(OCCCC)cc1 ZINC000005700674 563546248 /nfs/dbraw/zinc/54/62/48/563546248.db2.gz DBWIJBFAIFEGRA-SDNWHVSQSA-N 1 0 347.499 4.590 40 0 EJABRO CCC(=O)c1ccc2c(c1)N([C@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000005837011 563551860 /nfs/dbraw/zinc/55/18/60/563551860.db2.gz DHNARGHLEOUOQR-CQSZACIVSA-N 1 0 340.492 4.832 40 0 EJABRO CCC[C@H](C(=O)OCC[N@@H+]1CCCC12CCCCC2)C1CCCC1 ZINC000006380963 563566587 /nfs/dbraw/zinc/56/65/87/563566587.db2.gz VXWHBMILFDTMFQ-IBGZPJMESA-N 1 0 335.532 4.935 40 0 EJABRO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000007261018 563597880 /nfs/dbraw/zinc/59/78/80/563597880.db2.gz HPLIMJOHKCILRQ-UHFFFAOYSA-N 1 0 327.468 4.944 40 0 EJABRO CCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000007261736 563598522 /nfs/dbraw/zinc/59/85/22/563598522.db2.gz UOGLGOBFZKPMRY-UHFFFAOYSA-N 1 0 333.859 4.817 40 0 EJABRO Cc1ccc(Cn2c3ccccc3nc2[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000007343623 563600105 /nfs/dbraw/zinc/60/01/05/563600105.db2.gz ZYXOUXHVJHAXIM-GOSISDBHSA-N 1 0 333.479 4.940 40 0 EJABRO Clc1cc(Cl)cc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)c1 ZINC000007524707 563604276 /nfs/dbraw/zinc/60/42/76/563604276.db2.gz WZMILFPCUVJRPT-CQSZACIVSA-N 1 0 326.223 4.522 40 0 EJABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCC ZINC000008253908 563624781 /nfs/dbraw/zinc/62/47/81/563624781.db2.gz ZWBDYLSWLSABAT-CQSZACIVSA-N 1 0 333.859 4.988 40 0 EJABRO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000008326032 563626557 /nfs/dbraw/zinc/62/65/57/563626557.db2.gz PQXZFTYFTVVGHO-CQSZACIVSA-N 1 0 333.859 4.816 40 0 EJABRO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008326777 563626856 /nfs/dbraw/zinc/62/68/56/563626856.db2.gz BCEFZMJGUVIFCC-AWEZNQCLSA-N 1 0 333.859 4.816 40 0 EJABRO COc1cccc(C[NH2+]C2CCCC2)c1OCc1ccc(Cl)cc1 ZINC000008495287 563631178 /nfs/dbraw/zinc/63/11/78/563631178.db2.gz QMTOEPBBIKOQIP-UHFFFAOYSA-N 1 0 345.870 4.960 40 0 EJABRO C[N@@H+]1CCCC[C@@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000034033127 563916710 /nfs/dbraw/zinc/91/67/10/563916710.db2.gz UXIPFQUBOVWAQW-PVGBUVFQSA-N 1 0 348.490 4.755 40 0 in-man EJABRO c1ccc(CCC[N@@H+]2CCC[C@]23CCCN(Cc2ccccc2)C3)cc1 ZINC000096214646 563980200 /nfs/dbraw/zinc/98/02/00/563980200.db2.gz VTTLWTDQPJUEMZ-DEOSSOPVSA-N 1 0 348.534 4.750 40 0 EJABRO COC1(COc2cccc(Cl)c2)CC[NH+](C2CCCCC2)CC1 ZINC000585280846 563981815 /nfs/dbraw/zinc/98/18/15/563981815.db2.gz AXCKAZNFUSWJTM-UHFFFAOYSA-N 1 0 337.891 4.533 40 0 EJABRO c1ccc(COc2ncccc2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000072212069 563984440 /nfs/dbraw/zinc/98/44/40/563984440.db2.gz NTGTUBVPDQVGBS-QFIPXVFZSA-N 1 0 344.458 4.998 40 0 EJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214803 563984898 /nfs/dbraw/zinc/98/48/98/563984898.db2.gz UQSBIEQAUXXFJN-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214816 563984965 /nfs/dbraw/zinc/98/49/65/563984965.db2.gz JTGPUQCILAPFEH-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072214993 563985084 /nfs/dbraw/zinc/98/50/84/563985084.db2.gz MZFKOPJPRLRJJT-QGZVFWFLSA-N 1 0 347.503 4.780 40 0 EJABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214919 563985097 /nfs/dbraw/zinc/98/50/97/563985097.db2.gz ZMYXMXQRXRKZNR-QGZVFWFLSA-N 1 0 347.503 4.778 40 0 EJABRO Cc1cc(N2CCCC2)ncc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218887 563985660 /nfs/dbraw/zinc/98/56/60/563985660.db2.gz JBWLFTHCNTYOLO-OAQYLSRUSA-N 1 0 335.495 4.717 40 0 EJABRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219150 563985702 /nfs/dbraw/zinc/98/57/02/563985702.db2.gz MVXADOZFQYOTDC-OAQYLSRUSA-N 1 0 335.495 4.717 40 0 EJABRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219149 563985734 /nfs/dbraw/zinc/98/57/34/563985734.db2.gz MVXADOZFQYOTDC-NRFANRHFSA-N 1 0 335.495 4.717 40 0 EJABRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000005968052 564014366 /nfs/dbraw/zinc/01/43/66/564014366.db2.gz IDQKBWNAAUYKTI-UHFFFAOYSA-N 1 0 342.870 4.887 40 0 EJABRO COc1cccc(C[NH2+]CC(C)C)c1OCc1ccccc1Cl ZINC000006883654 564015251 /nfs/dbraw/zinc/01/52/51/564015251.db2.gz JOVBYPDHKMTQIR-UHFFFAOYSA-N 1 0 333.859 4.673 40 0 EJABRO CCOc1ccc2nc(Cl)c(C[NH2+]CCc3ccccc3)cc2c1 ZINC000013535362 564020105 /nfs/dbraw/zinc/02/01/05/564020105.db2.gz ZNQQQXONYBDHIP-UHFFFAOYSA-N 1 0 340.854 4.619 40 0 EJABRO COc1ccc(C[N@H+](Cc2ccc(C)s2)Cc2ccncc2)cc1 ZINC000013570244 564020185 /nfs/dbraw/zinc/02/01/85/564020185.db2.gz HRBSWIGUVGAOKF-UHFFFAOYSA-N 1 0 338.476 4.663 40 0 EJABRO Cc1ccsc1C[N@H+](CCCO)Cc1cccc2ccccc21 ZINC000013997305 564020879 /nfs/dbraw/zinc/02/08/79/564020879.db2.gz AXVRHDXCDOVEGT-UHFFFAOYSA-N 1 0 325.477 4.594 40 0 EJABRO COc1ccc2[nH]cc([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)c2c1 ZINC000057744995 564035047 /nfs/dbraw/zinc/03/50/47/564035047.db2.gz DIEHEYPUACOTSS-HNNXBMFYSA-N 1 0 340.854 4.819 40 0 EJABRO Brc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000034467528 564038855 /nfs/dbraw/zinc/03/88/55/564038855.db2.gz YVUJZZPGVIMFPD-UHFFFAOYSA-N 1 0 326.237 4.892 40 0 EJABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000002694446 564065662 /nfs/dbraw/zinc/06/56/62/564065662.db2.gz HVYPGZIRVLSJMJ-DLBZAZTESA-N 1 0 335.532 4.744 40 0 EJABRO CC(C)CCC[C@]1(C)Oc2ccccc2[C@H]2OC[C@]3(CCC[NH2+]3)C[C@@H]21 ZINC000257336742 564134871 /nfs/dbraw/zinc/13/48/71/564134871.db2.gz YPUZPBNINFBEJG-FKVLARQCSA-N 1 0 343.511 4.864 40 0 EJABRO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000008636109 564166174 /nfs/dbraw/zinc/16/61/74/564166174.db2.gz UQAMJBAKZAGSMK-NHCUHLMSSA-N 1 0 343.474 4.691 40 0 biogenic,in-vitro EJABRO CC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1[NH2+]C1CCC1 ZINC000067889829 564167252 /nfs/dbraw/zinc/16/72/52/564167252.db2.gz LFNVWURWEOOMNB-KUHUBIRLSA-N 1 0 328.431 4.580 40 0 biogenic,in-vitro EJABRO