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]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)C1 ZINC000038833791 213228901 /nfs/dbraw/zinc/22/89/01/213228901.db2.gz HICJEOXRMIMZOQ-OAHLLOKOSA-N 1 1 342.870 4.824 40 0 EJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 ZINC000038856760 213228545 /nfs/dbraw/zinc/22/85/45/213228545.db2.gz GUQHYZCJKRGPRN-UHFFFAOYSA-N 1 1 333.435 4.616 40 0 EJABMO O[C@H](c1ccccc1)[C@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000031923891 202212912 /nfs/dbraw/zinc/21/29/12/202212912.db2.gz ZRLBPOAWKPNOPZ-XZOQPEGZSA-N 1 1 329.443 4.520 40 0 EJABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000035446680 213028743 /nfs/dbraw/zinc/02/87/43/213028743.db2.gz QHKQYFIJBOOTJW-LBPRGKRZSA-N 1 1 337.389 4.704 40 0 biogenic,in-vitro EJABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000035446680 213028746 /nfs/dbraw/zinc/02/87/46/213028746.db2.gz QHKQYFIJBOOTJW-LBPRGKRZSA-N 1 1 337.389 4.704 40 0 biogenic,in-vitro EJABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000035446680 213028749 /nfs/dbraw/zinc/02/87/49/213028749.db2.gz QHKQYFIJBOOTJW-LBPRGKRZSA-N 1 1 337.389 4.704 40 0 biogenic,in-vitro EJABMO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000072358332 216165582 /nfs/dbraw/zinc/16/55/82/216165582.db2.gz WARDIGCXGGAHAL-QGZVFWFLSA-N 1 1 339.458 4.795 40 0 EJABMO Fc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072357678 216163430 /nfs/dbraw/zinc/16/34/30/216163430.db2.gz ZGFRJZOABJARIB-JOCHJYFZSA-N 1 1 347.437 4.544 40 0 EJABMO COc1ccc([C@@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393731 216192578 /nfs/dbraw/zinc/19/25/78/216192578.db2.gz SRVDLGNPZROZRJ-OAHLLOKOSA-N 1 1 337.467 4.888 40 0 EJABMO CCN(CC)CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022076524 212276897 /nfs/dbraw/zinc/27/68/97/212276897.db2.gz IPIKJQNIAVTUPQ-UHFFFAOYSA-N 1 1 341.282 4.685 40 0 EJABMO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000215937978 241157421 /nfs/dbraw/zinc/15/74/21/241157421.db2.gz VOQPZMDYLYAFEW-QZTJIDSGSA-N 1 1 348.490 4.510 40 0 EJABMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1C ZINC000020493044 212139233 /nfs/dbraw/zinc/13/92/33/212139233.db2.gz MHPARQMMZMRWSC-INIZCTEOSA-N 1 1 336.479 4.788 40 0 EJABMO Fc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072358348 203205604 /nfs/dbraw/zinc/20/56/04/203205604.db2.gz HLQZGTYIAFFION-IBGZPJMESA-N 1 1 347.437 4.662 40 0 EJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3Cc3cccc(C)c3)o2)s1 ZINC000072390177 203213361 /nfs/dbraw/zinc/21/33/61/203213361.db2.gz BCJDKWUPLBZAFL-MRXNPFEDSA-N 1 1 339.464 4.752 40 0 EJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3Cc3cccc(C)c3)o2)s1 ZINC000072390177 203213365 /nfs/dbraw/zinc/21/33/65/203213365.db2.gz BCJDKWUPLBZAFL-MRXNPFEDSA-N 1 1 339.464 4.752 40 0 EJABMO C[C@@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1[C@H]1CCCO1)c1ccccc1 ZINC000019455977 212030080 /nfs/dbraw/zinc/03/00/80/212030080.db2.gz ISYWFVNUMGRPOM-OXJNMPFZSA-N 1 1 349.478 4.650 40 0 EJABMO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)cc1 ZINC000019240231 212009076 /nfs/dbraw/zinc/00/90/76/212009076.db2.gz KWRPUZQFLVRAOT-QGZVFWFLSA-N 1 1 344.505 4.595 40 0 EJABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C(C)C)n1 ZINC000328979564 257908171 /nfs/dbraw/zinc/90/81/71/257908171.db2.gz GGDWQVXOSKPXSW-HZPDHXFCSA-N 1 1 338.499 4.762 40 0 EJABMO Cc1ccc(C(=O)CN(c2ccc(C)cc2)C2=[NH+]CCCCC2)cc1 ZINC000008411379 258011738 /nfs/dbraw/zinc/01/17/38/258011738.db2.gz VQNWETQSCYOQOD-UHFFFAOYSA-N 1 1 334.463 4.965 40 0 EJABMO Cc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=[NH+]CCCC2)cc1 ZINC000008411708 258011960 /nfs/dbraw/zinc/01/19/60/258011960.db2.gz KGYKFYMNBZTBGG-UHFFFAOYSA-N 1 1 340.854 4.920 40 0 EJABMO CC[C@@H](C)[N@@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001687283 563403357 /nfs/dbraw/zinc/40/33/57/563403357.db2.gz WHPDJWYEVDVBJH-QGZVFWFLSA-N 1 1 343.515 4.802 40 0 EJABMO CCC[C@@H](C(=O)OCC[N@H+]1CCCC12CCCCC2)C1CCCC1 ZINC000001843287 563414230 /nfs/dbraw/zinc/41/42/30/563414230.db2.gz VXWHBMILFDTMFQ-LJQANCHMSA-N 1 1 335.532 4.935 40 0 EJABMO CCCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000002042437 563419093 /nfs/dbraw/zinc/41/90/93/563419093.db2.gz XCJDGUPOJRRALG-HXUWFJFHSA-N 1 1 347.886 4.684 40 0 EJABMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@@H+](CC)C1CCCCC1 ZINC000006356059 563565925 /nfs/dbraw/zinc/56/59/25/563565925.db2.gz HUHCJNJBZMWXPS-HKUYNNGSSA-N 1 1 333.516 4.594 40 0 EJABMO c1csc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccnc3)no2)c1 ZINC000012143924 563654667 /nfs/dbraw/zinc/65/46/67/563654667.db2.gz PMSKDPJJHHVPMJ-KRWDZBQOSA-N 1 1 339.464 4.915 40 0 EJABMO c1csc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccnc3)no2)c1 ZINC000012143924 563654670 /nfs/dbraw/zinc/65/46/70/563654670.db2.gz PMSKDPJJHHVPMJ-KRWDZBQOSA-N 1 1 339.464 4.915 40 0 EJABMO c1ccc(CN2CC[C@@H]([NH2+]C3CCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000072341601 563966425 /nfs/dbraw/zinc/96/64/25/563966425.db2.gz NCIDXTBGDVKDPB-XZOQPEGZSA-N 1 1 334.507 4.577 40 0 EJABMO C[N@H+]1CCC[C@H](COc2ccccc2Oc2ccc(Cl)cc2)C1 ZINC000585266175 563981148 /nfs/dbraw/zinc/98/11/48/563981148.db2.gz FFBAAGIQURPOSY-HNNXBMFYSA-N 1 1 331.843 4.853 40 0 EJABMO C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215607 563984381 /nfs/dbraw/zinc/98/43/81/563984381.db2.gz BXKINAIMQVLGAJ-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO c1ccc(COc2ncccc2[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000072212068 563984436 /nfs/dbraw/zinc/98/44/36/563984436.db2.gz NTGTUBVPDQVGBS-JOCHJYFZSA-N 1 1 344.458 4.998 40 0 EJABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214522 563984790 /nfs/dbraw/zinc/98/47/90/563984790.db2.gz PHWHFBXKHRRUPD-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC000072214694 563984881 /nfs/dbraw/zinc/98/48/81/563984881.db2.gz NVGHZYPQVGZKLW-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CC ZINC000072215212 563985127 /nfs/dbraw/zinc/98/51/27/563985127.db2.gz QMLMGOLARUOWJV-RDJZCZTQSA-N 1 1 347.503 4.778 40 0 EJABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072215253 563985177 /nfs/dbraw/zinc/98/51/77/563985177.db2.gz AYUZVIXLECWNNY-WBVHZDCISA-N 1 1 347.503 4.778 40 0 EJABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215383 563985237 /nfs/dbraw/zinc/98/52/37/563985237.db2.gz SWHUKGBUQJKKHC-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO CC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215433 563985317 /nfs/dbraw/zinc/98/53/17/563985317.db2.gz OMIWARQJOVQPLL-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216631 563985498 /nfs/dbraw/zinc/98/54/98/563985498.db2.gz QVJYCXWAFZLMSU-OAQYLSRUSA-N 1 1 335.495 4.799 40 0 EJABMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218826 563985668 /nfs/dbraw/zinc/98/56/68/563985668.db2.gz QSFPFLFQKYVMHE-NRFANRHFSA-N 1 1 335.495 4.717 40 0 EJABMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218827 563985675 /nfs/dbraw/zinc/98/56/75/563985675.db2.gz QSFPFLFQKYVMHE-OAQYLSRUSA-N 1 1 335.495 4.717 40 0 EJABMO Cc1nc(N2CCCC2)ccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218947 563985712 /nfs/dbraw/zinc/98/57/12/563985712.db2.gz BZCWEIFEUZEXTL-OAQYLSRUSA-N 1 1 335.495 4.717 40 0 EJABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(Cl)cc1)c2NC[C@H]1CCCO1 ZINC000000417331 563997103 /nfs/dbraw/zinc/99/71/03/563997103.db2.gz ONUKXBFBHGHIGZ-MRXNPFEDSA-N 1 1 341.842 4.554 40 0 EJABMO c1csc(C[N@H+](Cc2cccnc2)Cc2ccc3ncccc3c2)c1 ZINC000013569725 564020222 /nfs/dbraw/zinc/02/02/22/564020222.db2.gz SZXCSEGZRWVPFK-UHFFFAOYSA-N 1 1 345.471 4.894 40 0 EJABMO c1csc(C[N@@H+](Cc2cccnc2)Cc2ccc3ncccc3c2)c1 ZINC000013569725 564020223 /nfs/dbraw/zinc/02/02/23/564020223.db2.gz SZXCSEGZRWVPFK-UHFFFAOYSA-N 1 1 345.471 4.894 40 0 EJABMO Cc1ccc2cc3c(nc2c1C)O[C@@H](C)C[N@H+](CCc1ccccc1)C3 ZINC000013561590 564020261 /nfs/dbraw/zinc/02/02/61/564020261.db2.gz VLDMRCXQMXXOPC-KRWDZBQOSA-N 1 1 346.474 4.677 40 0 EJABMO Cc1ccc2cc3c(nc2c1C)O[C@@H](C)C[N@@H+](CCc1ccccc1)C3 ZINC000013561590 564020262 /nfs/dbraw/zinc/02/02/62/564020262.db2.gz VLDMRCXQMXXOPC-KRWDZBQOSA-N 1 1 346.474 4.677 40 0 EJABMO Cc1cc(C)n([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(Cl)cc2)n1 ZINC000005748610 564032975 /nfs/dbraw/zinc/03/29/75/564032975.db2.gz IQPKXBNXMQCSRI-GOSISDBHSA-N 1 1 326.831 4.516 40 0 EJABMO COc1ccc2[nH]cc([C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)c2c1 ZINC000057744980 564035008 /nfs/dbraw/zinc/03/50/08/564035008.db2.gz HCOHGEBGCABSNC-AWEZNQCLSA-N 1 1 340.854 4.819 40 0 EJABMO C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 ZINC000225149972 564045217 /nfs/dbraw/zinc/04/52/17/564045217.db2.gz ZDUXTCXUHILBNE-NRFANRHFSA-N 1 1 344.414 4.827 40 0 EJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C(C)C)cc1 ZINC000225580374 564048023 /nfs/dbraw/zinc/04/80/23/564048023.db2.gz RUWKCMRVRGNFLA-LJQANCHMSA-N 1 1 347.572 4.751 40 0 EJABMO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccncc1 ZINC000000506045 564050152 /nfs/dbraw/zinc/05/01/52/564050152.db2.gz JYQCTUFIGLSXKN-OAQYLSRUSA-N 1 1 328.419 4.776 40 0 EJABMO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CCCC2)[nH+]c(C2CC2)n1 ZINC000329068973 564072093 /nfs/dbraw/zinc/07/20/93/564072093.db2.gz YTEUHRRVJOODNT-OAHLLOKOSA-N 1 1 348.494 4.660 40 0 EJABMO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CCCC2)nc(C2CC2)[nH+]1 ZINC000329068973 564072094 /nfs/dbraw/zinc/07/20/94/564072094.db2.gz YTEUHRRVJOODNT-OAHLLOKOSA-N 1 1 348.494 4.660 40 0 EJABMO CCc1ccc2oc(C3=CC[N@@H+](Cc4ccc(C)cc4)CC3)nc2c1 ZINC000226251245 564117261 /nfs/dbraw/zinc/11/72/61/564117261.db2.gz VNAJZZPLOYQBNA-UHFFFAOYSA-N 1 1 332.447 4.988 40 0 EJABMO CCc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000038835373 213228389 /nfs/dbraw/zinc/22/83/89/213228389.db2.gz XRNBRQNVZWSCES-KRWDZBQOSA-N 1 1 336.479 4.733 40 0 EJABMO Cc1cc(C)cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038833563 213227967 /nfs/dbraw/zinc/22/79/67/213227967.db2.gz OALNMMPQVXIGTI-MRXNPFEDSA-N 1 1 336.479 4.788 40 0 EJABMO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000072358345 216165879 /nfs/dbraw/zinc/16/58/79/216165879.db2.gz ATUAVQMDCVJLMD-LJQANCHMSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000072358335 216166002 /nfs/dbraw/zinc/16/60/02/216166002.db2.gz MBUJQHPJSMHKPQ-INIZCTEOSA-N 1 1 339.458 4.795 40 0 EJABMO CC(C)[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359298 216166292 /nfs/dbraw/zinc/16/62/92/216166292.db2.gz MQJAKPTUTFTZPN-HNNXBMFYSA-N 1 1 349.400 4.750 40 0 EJABMO Fc1ccc(-c2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348835 216160816 /nfs/dbraw/zinc/16/08/16/216160816.db2.gz YMOCWUUGHXYCNJ-IBGZPJMESA-N 1 1 347.437 4.662 40 0 EJABMO Cc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000019932548 212086258 /nfs/dbraw/zinc/08/62/58/212086258.db2.gz KSCNRTGORJULMH-MRXNPFEDSA-N 1 1 336.479 4.788 40 0 EJABMO COc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)c1 ZINC000019240243 212008393 /nfs/dbraw/zinc/00/83/93/212008393.db2.gz DUPWUMSMRWPZPF-QGZVFWFLSA-N 1 1 344.505 4.595 40 0 EJABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(OC(C)C)cc2)on1 ZINC000019120273 212000910 /nfs/dbraw/zinc/00/09/10/212000910.db2.gz LXHREPMXNYPQRV-LJQANCHMSA-N 1 1 328.456 4.888 40 0 EJABMO CCn1nc(C)c(C[N@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000012228196 211325456 /nfs/dbraw/zinc/32/54/56/211325456.db2.gz XHSUFUPOHKMCQJ-OAQYLSRUSA-N 1 1 337.511 4.680 40 0 EJABMO C[N@@H+]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@@H](O)C[C@H]1c1ccccc1 ZINC000245380447 524031264 /nfs/dbraw/zinc/03/12/64/524031264.db2.gz ZIIZMWKPNMCHTR-XQUALCHDSA-N 1 1 343.470 4.949 40 0 EJABMO CCCC[N@@H+](CC)C[C@H](CC)Nc1cc(OC)cc2cccnc21 ZINC000002042618 563418978 /nfs/dbraw/zinc/41/89/78/563418978.db2.gz MSAOVUPSUJPSAC-KRWDZBQOSA-N 1 1 329.488 4.556 40 0 EJABMO O[C@@](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)C1CCCCC1 ZINC000004934831 563515573 /nfs/dbraw/zinc/51/55/73/563515573.db2.gz YTKGWTCAIJTXJU-JTAQYXEDSA-N 1 1 341.539 4.967 40 0 EJABMO CCCCc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000030938282 563911827 /nfs/dbraw/zinc/91/18/27/563911827.db2.gz FQJYUFJXXSILMY-UHFFFAOYSA-N 1 1 347.462 4.835 40 0 EJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000038833733 563922207 /nfs/dbraw/zinc/92/22/07/563922207.db2.gz DPTHPBSSEBZMTO-UHFFFAOYSA-N 1 1 333.435 4.616 40 0 EJABMO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(C)C)[C@@H]2Cc2ccccc2)s1 ZINC000096061663 563979011 /nfs/dbraw/zinc/97/90/11/563979011.db2.gz WENUQBMCNONOOO-RTWAWAEBSA-N 1 1 342.552 4.582 40 0 EJABMO Cc1ccc(CN2CC[C@@H]([N@@H+](C)C(C)C)[C@@H]2Cc2ccccc2)s1 ZINC000096061663 563979012 /nfs/dbraw/zinc/97/90/12/563979012.db2.gz WENUQBMCNONOOO-RTWAWAEBSA-N 1 1 342.552 4.582 40 0 EJABMO Cc1ccc(CN2CC[C@@H]([N@H+](C)C(C)C)[C@@H]2Cc2ccccc2)s1 ZINC000096061663 563979013 /nfs/dbraw/zinc/97/90/13/563979013.db2.gz WENUQBMCNONOOO-RTWAWAEBSA-N 1 1 342.552 4.582 40 0 EJABMO c1ccc(COc2ccc([C@@H]3CCC[N@H+]3Cc3ccccc3)cn2)cc1 ZINC000072212009 563984449 /nfs/dbraw/zinc/98/44/49/563984449.db2.gz FITSZYCSTWFXNF-QFIPXVFZSA-N 1 1 344.458 4.998 40 0 EJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214400 563984747 /nfs/dbraw/zinc/98/47/47/563984747.db2.gz DWNPVPOQWAOLTB-MRXNPFEDSA-N 1 1 333.476 4.612 40 0 EJABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214402 563984778 /nfs/dbraw/zinc/98/47/78/563984778.db2.gz GGFXOXNCRGPDJF-MRXNPFEDSA-N 1 1 333.476 4.756 40 0 EJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214463 563984805 /nfs/dbraw/zinc/98/48/05/563984805.db2.gz ONFCVLSVIBXOBE-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214624 563984854 /nfs/dbraw/zinc/98/48/54/563984854.db2.gz YXTRARIHYWFJCB-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072214621 563984862 /nfs/dbraw/zinc/98/48/62/563984862.db2.gz CEANUQKXNJTBEP-KRWDZBQOSA-N 1 1 347.503 4.636 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CC ZINC000072214755 563984890 /nfs/dbraw/zinc/98/48/90/563984890.db2.gz SMSLOWVPRXZMIS-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072214819 563984988 /nfs/dbraw/zinc/98/49/88/563984988.db2.gz LKNDHZIXVWMKDK-QGZVFWFLSA-N 1 1 347.503 4.778 40 0 EJABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214860 563985007 /nfs/dbraw/zinc/98/50/07/563985007.db2.gz ZTZZOACQJFUUBY-KRWDZBQOSA-N 1 1 347.503 4.778 40 0 EJABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072215142 563985147 /nfs/dbraw/zinc/98/51/47/563985147.db2.gz GLJXFSGZGBTCQP-RDJZCZTQSA-N 1 1 347.503 4.778 40 0 EJABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215338 563985209 /nfs/dbraw/zinc/98/52/09/563985209.db2.gz XWFPXJIVKOBWEQ-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO CC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215494 563985258 /nfs/dbraw/zinc/98/52/58/563985258.db2.gz MLEAOHRODXZGBG-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216068 563985507 /nfs/dbraw/zinc/98/55/07/563985507.db2.gz LMKHHBZXGSURIQ-OAQYLSRUSA-N 1 1 335.495 4.799 40 0 EJABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2NCc1ccccc1 ZINC000000320741 563996804 /nfs/dbraw/zinc/99/68/04/563996804.db2.gz FONZANKWJQSKGR-UHFFFAOYSA-N 1 1 329.403 4.627 40 0 EJABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC(C)(C)C)cc1OC ZINC000000411146 563997025 /nfs/dbraw/zinc/99/70/25/563997025.db2.gz IZZVHZXDYYFMRE-UHFFFAOYSA-N 1 1 339.439 4.537 40 0 EJABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2NCc1ccc(F)cc1 ZINC000000413701 563997226 /nfs/dbraw/zinc/99/72/26/563997226.db2.gz VWDXGCDTRUAZBU-UHFFFAOYSA-N 1 1 347.393 4.767 40 0 EJABMO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccccc2)cc1 ZINC000000413735 563997240 /nfs/dbraw/zinc/99/72/40/563997240.db2.gz IAISFRYCJAETNJ-UHFFFAOYSA-N 1 1 349.821 4.972 40 0 EJABMO CC[C@@H]1C[N@@H+](CCc2ccccc2)Cc2cc3cccc(C)c3nc2O1 ZINC000013563869 564020381 /nfs/dbraw/zinc/02/03/81/564020381.db2.gz ROEZGJAWTWQICA-OAQYLSRUSA-N 1 1 346.474 4.759 40 0 EJABMO Clc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)cc1 ZINC000049169412 564032577 /nfs/dbraw/zinc/03/25/77/564032577.db2.gz HPPAALSQYQTYQD-AWEZNQCLSA-N 1 1 331.847 4.512 40 0 biogenic,in-vitro EJABMO Cc1cc(C)n([C@H](Nc2cc(C)cc[nH+]2)c2ccc(Cl)cc2)n1 ZINC000005748612 564032985 /nfs/dbraw/zinc/03/29/85/564032985.db2.gz IQPKXBNXMQCSRI-SFHVURJKSA-N 1 1 326.831 4.516 40 0 EJABMO CCc1ccc(N(CC(=O)c2cccs2)C2=[NH+]CCCCC2)cc1 ZINC000006870972 564033720 /nfs/dbraw/zinc/03/37/20/564033720.db2.gz KNLOMHCGBAXHNG-UHFFFAOYSA-N 1 1 340.492 4.972 40 0 EJABMO Cc1ccc(C)c(N(CC(=O)c2cccs2)C2=[NH+]CCCC2)c1 ZINC000008410770 564035630 /nfs/dbraw/zinc/03/56/30/564035630.db2.gz NKRHFRLIZRGRBI-UHFFFAOYSA-N 1 1 326.465 4.637 40 0 EJABMO Cc1cccc(N(CC(=O)c2cccs2)C2=[NH+]CCCC2)c1C ZINC000008415122 564035681 /nfs/dbraw/zinc/03/56/81/564035681.db2.gz WHGKUJKYVYRYPF-UHFFFAOYSA-N 1 1 326.465 4.637 40 0 EJABMO O=C(CN(c1ccccc1)C1=[NH+]CCCC1)c1ccc(Cl)cc1 ZINC000008436113 564035713 /nfs/dbraw/zinc/03/57/13/564035713.db2.gz MVYMFOJUISPQEK-UHFFFAOYSA-N 1 1 326.827 4.612 40 0 EJABMO O=C(C[NH+]1CCCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000004893563 564093187 /nfs/dbraw/zinc/09/31/87/564093187.db2.gz AFMMLOHZMBEPQA-UHFFFAOYSA-N 1 1 338.476 4.692 40 0 EJABMO Cc1ccc2[nH]c(C3=CC[N@@H+](Cc4ccccc4Cl)CC3)nc2c1 ZINC000226250709 564117195 /nfs/dbraw/zinc/11/71/95/564117195.db2.gz JVZRWJKKNFPRLP-UHFFFAOYSA-N 1 1 337.854 4.814 40 0 EJABMO Cc1ccc2nc(C3=CC[N@H+](Cc4ccccc4Cl)CC3)[nH]c2c1 ZINC000226250709 564117196 /nfs/dbraw/zinc/11/71/96/564117196.db2.gz JVZRWJKKNFPRLP-UHFFFAOYSA-N 1 1 337.854 4.814 40 0 EJABMO Cc1ccc2nc(C3=CC[N@@H+](Cc4ccccc4Cl)CC3)[nH]c2c1 ZINC000226250709 564117197 /nfs/dbraw/zinc/11/71/97/564117197.db2.gz JVZRWJKKNFPRLP-UHFFFAOYSA-N 1 1 337.854 4.814 40 0 EJABMO Cc1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008700918 564134056 /nfs/dbraw/zinc/13/40/56/564134056.db2.gz ZVQPHRCZKRHKQI-AOMKIAJQSA-N 1 1 338.495 4.958 40 0 EJABMO O[C@@H](c1ccccc1)[C@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000031923893 564177447 /nfs/dbraw/zinc/17/74/47/564177447.db2.gz ZRLBPOAWKPNOPZ-GOTSBHOMSA-N 1 1 329.443 4.520 40 0 EJABMO CC1=C[C@H](C)[C@@H](CNCC[NH2+]C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1 ZINC000102673976 219221096 /nfs/dbraw/zinc/22/10/96/219221096.db2.gz XPPZSKFTXPXUHK-KNPYFFGGSA-N 1 1 332.576 4.642 40 0 EJABMO CC1=C[C@H](C)[C@@H](C[NH2+]CCNC[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1 ZINC000102673976 219221097 /nfs/dbraw/zinc/22/10/97/219221097.db2.gz XPPZSKFTXPXUHK-KNPYFFGGSA-N 1 1 332.576 4.642 40 0 EJABMO Fc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)cc1F ZINC000019292996 202003440 /nfs/dbraw/zinc/00/34/40/202003440.db2.gz UDCANXMBCJNZEO-OAHLLOKOSA-N 1 1 336.432 4.556 40 0 EJABMO Fc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)cc1F ZINC000019343337 202006146 /nfs/dbraw/zinc/00/61/46/202006146.db2.gz YKLHOEWNHMNIDZ-HNNXBMFYSA-N 1 1 336.432 4.556 40 0 EJABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000019570323 202013199 /nfs/dbraw/zinc/01/31/99/202013199.db2.gz LZNTVDJUUFYRPZ-LJQANCHMSA-N 1 1 332.447 4.623 40 0 EJABMO C=Cn1cc(C[N@@H+](CCc2ccccc2)Cc2cccs2)c(C)n1 ZINC000019584124 202013214 /nfs/dbraw/zinc/01/32/14/202013214.db2.gz IOUCARMIDMEMCP-UHFFFAOYSA-N 1 1 337.492 4.598 40 0 EJABMO Cc1ccc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038833434 213228727 /nfs/dbraw/zinc/22/87/27/213228727.db2.gz ZJIVXZDOLGKFBE-QGZVFWFLSA-N 1 1 336.479 4.788 40 0 EJABMO Cc1cccc(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038833496 213227556 /nfs/dbraw/zinc/22/75/56/213227556.db2.gz IBVLBBLDMRFUFE-INIZCTEOSA-N 1 1 336.479 4.788 40 0 EJABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 ZINC000035446463 213028353 /nfs/dbraw/zinc/02/83/53/213028353.db2.gz SDVNRIFTLSJSDA-HNNXBMFYSA-N 1 1 326.827 4.779 40 0 biogenic,in-vitro EJABMO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348796 216161239 /nfs/dbraw/zinc/16/12/39/216161239.db2.gz GYUNEUBTDDNWIM-OAQYLSRUSA-N 1 1 343.474 4.832 40 0 EJABMO Fc1cccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccccn3)n2)c1 ZINC000072357713 216163770 /nfs/dbraw/zinc/16/37/70/216163770.db2.gz GOFVYUKYNZEFJY-JOCHJYFZSA-N 1 1 347.437 4.544 40 0 EJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CCCCCCC3)cc2)C1 ZINC000022515895 212303381 /nfs/dbraw/zinc/30/33/81/212303381.db2.gz LTEDLJRNZRHUFH-GOSISDBHSA-N 1 1 342.527 4.761 40 0 EJABMO Fc1ccccc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072348924 203203230 /nfs/dbraw/zinc/20/32/30/203203230.db2.gz DNJDHSPBBJZVRY-KRWDZBQOSA-N 1 1 347.437 4.662 40 0 EJABMO COc1cc(C)c(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)cc1C ZINC000019567358 212043602 /nfs/dbraw/zinc/04/36/02/212043602.db2.gz FNKLWGBOXHNUFM-LJQANCHMSA-N 1 1 328.456 4.726 40 0 EJABMO Fc1ccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)cc1F ZINC000019343339 212017624 /nfs/dbraw/zinc/01/76/24/212017624.db2.gz YKLHOEWNHMNIDZ-OAHLLOKOSA-N 1 1 336.432 4.556 40 0 EJABMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000049169075 204369486 /nfs/dbraw/zinc/36/94/86/204369486.db2.gz HPCJJAZFAXMADQ-AWEZNQCLSA-N 1 1 345.368 4.571 40 0 biogenic,in-vitro EJABMO O[C@](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)C1CCCCC1 ZINC000004934833 210328618 /nfs/dbraw/zinc/32/86/18/210328618.db2.gz YTKGWTCAIJTXJU-SXWKCWPCSA-N 1 1 341.539 4.967 40 0 EJABMO C[C@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1 ZINC000007540853 257864820 /nfs/dbraw/zinc/86/48/20/257864820.db2.gz HZCWQBJUNNBCOE-AWEZNQCLSA-N 1 1 341.838 4.943 40 0 EJABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000329070024 257900985 /nfs/dbraw/zinc/90/09/85/257900985.db2.gz ZCXDCEDJBMPAFI-UHFFFAOYSA-N 1 1 336.483 4.517 40 0 EJABMO Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1NCC[NH+](C)C ZINC000000395959 563304914 /nfs/dbraw/zinc/30/49/14/563304914.db2.gz QNTBKJSMKZYAGO-UHFFFAOYSA-N 1 1 339.870 4.837 40 0 EJABMO COc1cc2cccnc2c(NCCCCCC[N@@H+](C)C(C)C)c1 ZINC000001733783 563408350 /nfs/dbraw/zinc/40/83/50/563408350.db2.gz RSHQZRONHCISLW-UHFFFAOYSA-N 1 1 329.488 4.556 40 0 EJABMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000006870037 563589333 /nfs/dbraw/zinc/58/93/33/563589333.db2.gz ZEKAALYVKFSXQG-UHFFFAOYSA-N 1 1 344.418 4.528 40 0 EJABMO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1Cl ZINC000008469576 563630984 /nfs/dbraw/zinc/63/09/84/563630984.db2.gz WHDZOROAKUJNCW-UHFFFAOYSA-N 1 1 330.642 4.945 40 0 EJABMO c1csc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccccn3)no2)c1 ZINC000012143928 563654633 /nfs/dbraw/zinc/65/46/33/563654633.db2.gz NQBJNAFLBRKNPD-KRWDZBQOSA-N 1 1 339.464 4.915 40 0 EJABMO c1csc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccccn3)no2)c1 ZINC000012143928 563654634 /nfs/dbraw/zinc/65/46/34/563654634.db2.gz NQBJNAFLBRKNPD-KRWDZBQOSA-N 1 1 339.464 4.915 40 0 EJABMO c1csc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccncc3)no2)c1 ZINC000012143927 563654679 /nfs/dbraw/zinc/65/46/79/563654679.db2.gz QDSVIUMENUCLQG-QGZVFWFLSA-N 1 1 339.464 4.915 40 0 EJABMO c1csc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccncc3)no2)c1 ZINC000012143927 563654682 /nfs/dbraw/zinc/65/46/82/563654682.db2.gz QDSVIUMENUCLQG-QGZVFWFLSA-N 1 1 339.464 4.915 40 0 EJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000038834154 563922369 /nfs/dbraw/zinc/92/23/69/563922369.db2.gz QCWCHOXXXDINEY-UHFFFAOYSA-N 1 1 341.414 4.645 40 0 EJABMO Cc1c(C(=O)C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc2n1C ZINC000013769335 563932893 /nfs/dbraw/zinc/93/28/93/563932893.db2.gz DWVYRXCRUOQLHN-AOMKIAJQSA-N 1 1 338.495 4.570 40 0 EJABMO C[N@H+]1CCC[C@@H](COc2ccccc2Oc2ccc(Cl)cc2)C1 ZINC000585266176 563981158 /nfs/dbraw/zinc/98/11/58/563981158.db2.gz FFBAAGIQURPOSY-OAHLLOKOSA-N 1 1 331.843 4.853 40 0 EJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214462 563984741 /nfs/dbraw/zinc/98/47/41/563984741.db2.gz ONFCVLSVIBXOBE-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214859 563984979 /nfs/dbraw/zinc/98/49/79/563984979.db2.gz ZTZZOACQJFUUBY-QGZVFWFLSA-N 1 1 347.503 4.778 40 0 EJABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214935 563985026 /nfs/dbraw/zinc/98/50/26/563985026.db2.gz NMYGGXVYBRDZGX-KRWDZBQOSA-N 1 1 347.503 4.778 40 0 EJABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CC ZINC000072215030 563985029 /nfs/dbraw/zinc/98/50/29/563985029.db2.gz UKMCBZDDGUOZNB-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC)cn1 ZINC000072214970 563985058 /nfs/dbraw/zinc/98/50/58/563985058.db2.gz CYNQMNCHHKSXAC-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072215053 563985065 /nfs/dbraw/zinc/98/50/65/563985065.db2.gz NTHLSMBJSWCAGJ-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CC ZINC000072215029 563985079 /nfs/dbraw/zinc/98/50/79/563985079.db2.gz UKMCBZDDGUOZNB-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215381 563985180 /nfs/dbraw/zinc/98/51/80/563985180.db2.gz FQZCDVMBIHVDSI-QGZVFWFLSA-N 1 1 345.487 4.531 40 0 EJABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215382 563985186 /nfs/dbraw/zinc/98/51/86/563985186.db2.gz FQZCDVMBIHVDSI-KRWDZBQOSA-N 1 1 345.487 4.531 40 0 EJABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215323 563985203 /nfs/dbraw/zinc/98/52/03/563985203.db2.gz PSIJHKTZHVLPQS-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216632 563985519 /nfs/dbraw/zinc/98/55/19/563985519.db2.gz QVJYCXWAFZLMSU-NRFANRHFSA-N 1 1 335.495 4.799 40 0 EJABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(Cl)cc1)c2NC[C@@H]1CCCO1 ZINC000000417332 563997123 /nfs/dbraw/zinc/99/71/23/563997123.db2.gz ONUKXBFBHGHIGZ-INIZCTEOSA-N 1 1 341.842 4.554 40 0 EJABMO Cc1cccc2[nH+]c(-c3ccc(Cl)cc3)c(NC[C@@H]3CCCO3)n21 ZINC000000417398 563997136 /nfs/dbraw/zinc/99/71/36/563997136.db2.gz WGHJJQQBBMPQOW-INIZCTEOSA-N 1 1 341.842 4.554 40 0 EJABMO CCCC[C@H](CC)CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000224333364 564042407 /nfs/dbraw/zinc/04/24/07/564042407.db2.gz YVWUSEMEMDCNFC-MOPGFXCFSA-N 1 1 344.543 4.865 40 0 EJABMO C[N@@H+]1/C(=C\C(=O)Nc2ccccc2)c2ccccc2CC12CCCCC2 ZINC000033305815 564050118 /nfs/dbraw/zinc/05/01/18/564050118.db2.gz WKMJKCOECWPBSA-PGMHBOJBSA-N 1 1 346.474 4.857 40 0 EJABMO C[N@H+]1/C(=C\C(=O)Nc2ccccc2)c2ccccc2CC12CCCCC2 ZINC000033305815 564050119 /nfs/dbraw/zinc/05/01/19/564050119.db2.gz WKMJKCOECWPBSA-PGMHBOJBSA-N 1 1 346.474 4.857 40 0 EJABMO c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000034086992 564050282 /nfs/dbraw/zinc/05/02/82/564050282.db2.gz GGBZYOBTRJQSDZ-ZEQRLZLVSA-N 1 1 348.534 4.967 40 0 EJABMO c1ccc(CN2CC[C@H]([NH2+]C3CCCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000034086992 564050283 /nfs/dbraw/zinc/05/02/83/564050283.db2.gz GGBZYOBTRJQSDZ-ZEQRLZLVSA-N 1 1 348.534 4.967 40 0 EJABMO Fc1cccc(Cc2cnc([C@@H]3CC[N@H+](C4CCCCC4)C3)o2)c1 ZINC000257334441 564055658 /nfs/dbraw/zinc/05/56/58/564055658.db2.gz YFWOBTUMVPBXAC-MRXNPFEDSA-N 1 1 328.431 4.527 40 0 EJABMO C[N@H+]1[C@H](c2ccccc2)C[C@H](O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000245380445 564097482 /nfs/dbraw/zinc/09/74/82/564097482.db2.gz ZIIZMWKPNMCHTR-CJRSTVEYSA-N 1 1 343.470 4.949 40 0 EJABMO Cc1cccc(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038833497 213227900 /nfs/dbraw/zinc/22/79/00/213227900.db2.gz IBVLBBLDMRFUFE-MRXNPFEDSA-N 1 1 336.479 4.788 40 0 EJABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](C)C)C=C3C)[nH]c21 ZINC000072320792 202364375 /nfs/dbraw/zinc/36/43/75/202364375.db2.gz LHJLBECWATUPIX-FHWLQOOXSA-N 1 1 339.527 4.830 40 0 biogenic,in-vitro EJABMO Fc1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000072357668 216164842 /nfs/dbraw/zinc/16/48/42/216164842.db2.gz IKUXFRYUDGFTKI-JOCHJYFZSA-N 1 1 347.437 4.544 40 0 EJABMO Fc1ccccc1-c1cccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072348837 216160477 /nfs/dbraw/zinc/16/04/77/216160477.db2.gz YKNMOIKBNAFJTO-SFHVURJKSA-N 1 1 347.437 4.662 40 0 EJABMO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072348534 216160735 /nfs/dbraw/zinc/16/07/35/216160735.db2.gz WFZZZZIAHUZHLP-KRWDZBQOSA-N 1 1 336.479 4.879 40 0 EJABMO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000072357665 216164315 /nfs/dbraw/zinc/16/43/15/216164315.db2.gz DCSCIVLNWKWZFJ-QFIPXVFZSA-N 1 1 347.437 4.544 40 0 EJABMO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nnc(-c2cccs2)o1 ZINC000072390135 216190874 /nfs/dbraw/zinc/19/08/74/216190874.db2.gz BBFOLYMOUXBHQV-MRXNPFEDSA-N 1 1 339.464 4.834 40 0 EJABMO Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1nnc(-c2cccs2)o1 ZINC000072390135 216190879 /nfs/dbraw/zinc/19/08/79/216190879.db2.gz BBFOLYMOUXBHQV-MRXNPFEDSA-N 1 1 339.464 4.834 40 0 EJABMO COc1ccc([C@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2C2CC2)cc1 ZINC000072393374 216192338 /nfs/dbraw/zinc/19/23/38/216192338.db2.gz DGBGCXDKPZAEEX-AWEZNQCLSA-N 1 1 335.451 4.642 40 0 EJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1 ZINC000020110773 212102373 /nfs/dbraw/zinc/10/23/73/212102373.db2.gz GBRHKKAGLPJOOB-OAHLLOKOSA-N 1 1 342.870 4.824 40 0 EJABMO COc1cc2c(cc1OC)CC(C)(C)[N@H+](Cc1ccccc1Cl)C2 ZINC000019594082 212050066 /nfs/dbraw/zinc/05/00/66/212050066.db2.gz KRZCUKRZJBZMKP-UHFFFAOYSA-N 1 1 345.870 4.694 40 0 EJABMO COc1cc2c(cc1OC)CC(C)(C)[N@@H+](Cc1ccccc1Cl)C2 ZINC000019594082 212050069 /nfs/dbraw/zinc/05/00/69/212050069.db2.gz KRZCUKRZJBZMKP-UHFFFAOYSA-N 1 1 345.870 4.694 40 0 EJABMO COc1cc(C)c(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)cc1C ZINC000019567361 212043429 /nfs/dbraw/zinc/04/34/29/212043429.db2.gz FNKLWGBOXHNUFM-IBGZPJMESA-N 1 1 328.456 4.726 40 0 EJABMO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC000019345193 212019529 /nfs/dbraw/zinc/01/95/29/212019529.db2.gz KWOGBUGUEBNTRS-ZYSHUDEJSA-N 1 1 339.483 4.569 40 0 EJABMO Cc1ccc(C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000005625977 210504183 /nfs/dbraw/zinc/50/41/83/210504183.db2.gz OCXSAVQTZUMWDB-UHFFFAOYSA-N 1 1 339.870 4.904 40 0 EJABMO 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 210273927 /nfs/dbraw/zinc/27/39/27/210273927.db2.gz KUFAUZJRIITNBN-ZCPXKWAGSA-N 1 1 333.560 4.758 40 0 EJABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072214622 257688705 /nfs/dbraw/zinc/68/87/05/257688705.db2.gz CEANUQKXNJTBEP-QGZVFWFLSA-N 1 1 347.503 4.636 40 0 EJABMO CCCCC[N@@H+](CCNc1cc(OC)cc2cccnc21)[C@H](C)CC ZINC000001656126 563399598 /nfs/dbraw/zinc/39/95/98/563399598.db2.gz SXUGOGFHPFVIOF-QGZVFWFLSA-N 1 1 343.515 4.946 40 0 EJABMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@@H+](CC)C1CCCCC1 ZINC000002694541 563445906 /nfs/dbraw/zinc/44/59/06/563445906.db2.gz HUHCJNJBZMWXPS-MJGOQNOKSA-N 1 1 333.516 4.594 40 0 EJABMO Cc1ccc([C@](O)(CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934794 563515636 /nfs/dbraw/zinc/51/56/36/563515636.db2.gz BXLMOHLIEPHHHR-HFMPRLQTSA-N 1 1 349.518 4.743 40 0 EJABMO CC[C@H](C)[N@@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000005846377 563552155 /nfs/dbraw/zinc/55/21/55/563552155.db2.gz WHPDJWYEVDVBJH-KRWDZBQOSA-N 1 1 343.515 4.802 40 0 EJABMO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@@H+](CC)C1CCCCC1 ZINC000006355901 563565641 /nfs/dbraw/zinc/56/56/41/563565641.db2.gz HUHCJNJBZMWXPS-IEBWSBKVSA-N 1 1 333.516 4.594 40 0 EJABMO c1ccc(OC2CCCC2)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)c1 ZINC000013266950 563693489 /nfs/dbraw/zinc/69/34/89/563693489.db2.gz SHMDXZSSOSXTNJ-LAUBAEHRSA-N 1 1 334.463 4.665 40 0 EJABMO COc1ccc(C)cc1C[NH2+][C@@H](Cc1cccs1)c1nccs1 ZINC000019133620 563854435 /nfs/dbraw/zinc/85/44/35/563854435.db2.gz AHCHDLOEMSVNMF-INIZCTEOSA-N 1 1 344.505 4.595 40 0 EJABMO COc1ccccc1C[NH2+][C@@H](Cc1ccsc1)c1ccc(C)cn1 ZINC000019215578 563854738 /nfs/dbraw/zinc/85/47/38/563854738.db2.gz LDJQBFRTEQXTJH-IBGZPJMESA-N 1 1 338.476 4.534 40 0 EJABMO CCc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(C)s2)o1 ZINC000043277895 563925681 /nfs/dbraw/zinc/92/56/81/563925681.db2.gz VNNALVAURUFXHW-UHFFFAOYSA-N 1 1 343.496 4.501 40 0 EJABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CC ZINC000072215211 563985124 /nfs/dbraw/zinc/98/51/24/563985124.db2.gz QMLMGOLARUOWJV-WBVHZDCISA-N 1 1 347.503 4.778 40 0 EJABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072215254 563985196 /nfs/dbraw/zinc/98/51/96/563985196.db2.gz AYUZVIXLECWNNY-RDJZCZTQSA-N 1 1 347.503 4.778 40 0 EJABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215324 563985222 /nfs/dbraw/zinc/98/52/22/563985222.db2.gz PSIJHKTZHVLPQS-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216128 563985495 /nfs/dbraw/zinc/98/54/95/563985495.db2.gz TXJVYQRUGVRPAO-OAQYLSRUSA-N 1 1 335.495 4.799 40 0 EJABMO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCCc1ccccc1)C3 ZINC000013563791 564020299 /nfs/dbraw/zinc/02/02/99/564020299.db2.gz TVAQGTZTEOOQOC-UHFFFAOYSA-N 1 1 346.474 4.679 40 0 EJABMO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCCc1ccccc1)C3 ZINC000013563791 564020300 /nfs/dbraw/zinc/02/03/00/564020300.db2.gz TVAQGTZTEOOQOC-UHFFFAOYSA-N 1 1 346.474 4.679 40 0 EJABMO Cc1ccc(N(CC(=O)c2cccs2)C2=[NH+]CCCCC2)cc1 ZINC000008411771 564035660 /nfs/dbraw/zinc/03/56/60/564035660.db2.gz CIRICNRVWVZJFD-UHFFFAOYSA-N 1 1 326.465 4.718 40 0 EJABMO COc1cc2c(cc1OC)[C@H](CCc1ccc(Cl)cc1)[N@@H+](C)CC2 ZINC000000000485 564041927 /nfs/dbraw/zinc/04/19/27/564041927.db2.gz YBCPYHQFUMNOJG-SFHVURJKSA-N 1 1 345.870 4.519 40 0 in-man EJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)C1 ZINC000224332889 564042410 /nfs/dbraw/zinc/04/24/10/564042410.db2.gz QIQCSEPHUUNZCK-QGZVFWFLSA-N 1 1 344.543 4.863 40 0 EJABMO CC1=C[C@@H](C)[C@H](CNCC[NH2+]C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1 ZINC000032523686 564050037 /nfs/dbraw/zinc/05/00/37/564050037.db2.gz XPPZSKFTXPXUHK-RBFKZVKLSA-N 1 1 332.576 4.642 40 0 EJABMO CC1=C[C@@H](C)[C@H](C[NH2+]CCNC[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1 ZINC000032523686 564050038 /nfs/dbraw/zinc/05/00/38/564050038.db2.gz XPPZSKFTXPXUHK-RBFKZVKLSA-N 1 1 332.576 4.642 40 0 EJABMO Fc1cccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000257281565 564054637 /nfs/dbraw/zinc/05/46/37/564054637.db2.gz OPWIUZLVAZGWTA-KRWDZBQOSA-N 1 1 339.458 4.795 40 0 EJABMO CC1(C)Cc2ccccc2CN1c1cc[nH+]c(NC2CCCCC2)n1 ZINC000329014734 564071587 /nfs/dbraw/zinc/07/15/87/564071587.db2.gz MWUKJQLDISKNPP-UHFFFAOYSA-N 1 1 336.483 4.563 40 0 EJABMO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@H+]3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC000019345171 564127980 /nfs/dbraw/zinc/12/79/80/564127980.db2.gz KWOGBUGUEBNTRS-LZQZEXGQSA-N 1 1 339.483 4.569 40 0 EJABMO COC(=O)c1cccc(Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)c1 ZINC000040175525 213278950 /nfs/dbraw/zinc/27/89/50/213278950.db2.gz NJRJCYULWMWUOI-UHFFFAOYSA-N 1 1 346.308 4.784 40 0 EJABMO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072358347 216165782 /nfs/dbraw/zinc/16/57/82/216165782.db2.gz QIOSPXZHLBMQEN-GOSISDBHSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348925 216160558 /nfs/dbraw/zinc/16/05/58/216160558.db2.gz KBLNUCCYFBCFJU-SFHVURJKSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000072357666 216163440 /nfs/dbraw/zinc/16/34/40/216163440.db2.gz DCSCIVLNWKWZFJ-JOCHJYFZSA-N 1 1 347.437 4.544 40 0 EJABMO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072357709 216163834 /nfs/dbraw/zinc/16/38/34/216163834.db2.gz PNMQPANAEKTVKD-QFIPXVFZSA-N 1 1 347.437 4.544 40 0 EJABMO Fc1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357680 216164064 /nfs/dbraw/zinc/16/40/64/216164064.db2.gz ZGJIPBREWVECMP-JOCHJYFZSA-N 1 1 347.437 4.544 40 0 EJABMO Fc1ccccc1C[N@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000216784031 241210893 /nfs/dbraw/zinc/21/08/93/241210893.db2.gz XPIGUALNYXTOPQ-UHFFFAOYSA-N 1 1 342.801 4.910 40 0 EJABMO Fc1ccccc1C[N@@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000216784031 241210901 /nfs/dbraw/zinc/21/09/01/241210901.db2.gz XPIGUALNYXTOPQ-UHFFFAOYSA-N 1 1 342.801 4.910 40 0 EJABMO Fc1ccc(Cc2cnc([C@@H]3CCC[N@@H+]3Cc3ccccc3)o2)cc1 ZINC000257219048 244176987 /nfs/dbraw/zinc/17/69/87/244176987.db2.gz DFLABWWHQUPYRT-FQEVSTJZSA-N 1 1 336.410 4.742 40 0 EJABMO Fc1ccc(Cc2cnc([C@@H]3CCC[N@H+]3Cc3ccccc3)o2)cc1 ZINC000257219048 244176997 /nfs/dbraw/zinc/17/69/97/244176997.db2.gz DFLABWWHQUPYRT-FQEVSTJZSA-N 1 1 336.410 4.742 40 0 EJABMO Fc1ccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000072358344 203205106 /nfs/dbraw/zinc/20/51/06/203205106.db2.gz ATUAVQMDCVJLMD-IBGZPJMESA-N 1 1 347.437 4.662 40 0 EJABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000004887098 210311148 /nfs/dbraw/zinc/31/11/48/210311148.db2.gz OFKUSYBRPXZRKU-IHWFROFDSA-N 1 1 342.527 4.509 40 0 EJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)C1 ZINC000038755755 132397243 /nfs/dbraw/zinc/39/72/43/132397243.db2.gz AOEUVQNQWZGMKZ-GOSISDBHSA-N 1 1 348.490 4.512 40 0 EJABMO Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2nc[nH+]c3N)cc1 ZINC000001609265 563395972 /nfs/dbraw/zinc/39/59/72/563395972.db2.gz LPBHWQKDGUSACB-UHFFFAOYSA-N 1 1 334.810 4.632 40 0 EJABMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000006870032 563589329 /nfs/dbraw/zinc/58/93/29/563589329.db2.gz ICJXBLHNWKYDIM-UHFFFAOYSA-N 1 1 328.419 4.828 40 0 EJABMO CCn1ncc(C[N@@H+](CCc2ccccc2)Cc2cccs2)c1C ZINC000012291807 563657330 /nfs/dbraw/zinc/65/73/30/563657330.db2.gz KWXQAXCPXOWSDU-UHFFFAOYSA-N 1 1 339.508 4.518 40 0 EJABMO CC(C)(Cc1ccccc1)[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000014982449 563770466 /nfs/dbraw/zinc/77/04/66/563770466.db2.gz WVZRWNPPXYLQBI-IBGZPJMESA-N 1 1 329.871 4.735 40 0 EJABMO COc1c(C)cccc1C[NH2+][C@@H](Cc1cccs1)c1nccs1 ZINC000019236022 563855156 /nfs/dbraw/zinc/85/51/56/563855156.db2.gz IEQWUFKFQKOPMM-INIZCTEOSA-N 1 1 344.505 4.595 40 0 EJABMO Clc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccs1 ZINC000043277779 563925667 /nfs/dbraw/zinc/92/56/67/563925667.db2.gz QWLJKPGASPSKGF-UHFFFAOYSA-N 1 1 345.899 4.691 40 0 EJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3CC3CCCCC3)o2)s1 ZINC000060016740 563949511 /nfs/dbraw/zinc/94/95/11/563949511.db2.gz SOLCJGSERISRDY-HNNXBMFYSA-N 1 1 331.485 4.824 40 0 EJABMO C[N@H+]1CCC[C@H](COc2ccccc2Oc2cccc(Cl)c2)C1 ZINC000585266246 563981139 /nfs/dbraw/zinc/98/11/39/563981139.db2.gz XSNVOEVYVIXECG-HNNXBMFYSA-N 1 1 331.843 4.853 40 0 EJABMO c1ccc(COc2ccc([C@H]3CCC[N@H+]3Cc3ccccc3)cn2)cc1 ZINC000072212008 563984463 /nfs/dbraw/zinc/98/44/63/563984463.db2.gz FITSZYCSTWFXNF-JOCHJYFZSA-N 1 1 344.458 4.998 40 0 EJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214804 563984913 /nfs/dbraw/zinc/98/49/13/563984913.db2.gz UQSBIEQAUXXFJN-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072214857 563985016 /nfs/dbraw/zinc/98/50/16/563985016.db2.gz XTBLHYOCGLBWKN-QGZVFWFLSA-N 1 1 347.503 4.777 40 0 EJABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC)cn1 ZINC000072214969 563985035 /nfs/dbraw/zinc/98/50/35/563985035.db2.gz CYNQMNCHHKSXAC-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072215052 563985088 /nfs/dbraw/zinc/98/50/88/563985088.db2.gz NTHLSMBJSWCAGJ-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214934 563985095 /nfs/dbraw/zinc/98/50/95/563985095.db2.gz NMYGGXVYBRDZGX-QGZVFWFLSA-N 1 1 347.503 4.778 40 0 EJABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CC ZINC000072215213 563985158 /nfs/dbraw/zinc/98/51/58/563985158.db2.gz QMLMGOLARUOWJV-NVXWUHKLSA-N 1 1 347.503 4.778 40 0 EJABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215321 563985212 /nfs/dbraw/zinc/98/52/12/563985212.db2.gz UOKFWWIALNJGJJ-QGZVFWFLSA-N 1 1 345.487 4.531 40 0 EJABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215384 563985228 /nfs/dbraw/zinc/98/52/28/563985228.db2.gz SWHUKGBUQJKKHC-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215457 563985306 /nfs/dbraw/zinc/98/53/06/563985306.db2.gz WGMWVMSCMGZMBR-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216129 563985480 /nfs/dbraw/zinc/98/54/80/563985480.db2.gz TXJVYQRUGVRPAO-NRFANRHFSA-N 1 1 335.495 4.799 40 0 EJABMO COc1ccc(-c2[nH+]c3ccccn3c2NCc2ccc(F)cc2)cc1 ZINC000000413660 563997212 /nfs/dbraw/zinc/99/72/12/563997212.db2.gz VXVJTKBGMFPTAR-UHFFFAOYSA-N 1 1 347.393 4.761 40 0 EJABMO COc1ccc(CNc2c(-c3ccccc3)[nH+]c3ccccn32)cc1 ZINC000000413655 563997217 /nfs/dbraw/zinc/99/72/17/563997217.db2.gz CBPOIWNYIBJALP-UHFFFAOYSA-N 1 1 329.403 4.622 40 0 EJABMO CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(Cl)cc1)C2 ZINC000004886500 564005477 /nfs/dbraw/zinc/00/54/77/564005477.db2.gz PCNLGMFHADPQSV-AYHJJNSGSA-N 1 1 349.906 4.503 40 0 EJABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4cnc5ccccc5c4)C3)nc2c1 ZINC000049168833 564032525 /nfs/dbraw/zinc/03/25/25/564032525.db2.gz YQWSEHBOTRWGLU-SFHVURJKSA-N 1 1 343.430 4.674 40 0 biogenic,in-vitro EJABMO Cc1cccc(N(CC(=O)c2ccc(F)cc2)C2=[NH+]CCCCC2)c1 ZINC000008414541 564035704 /nfs/dbraw/zinc/03/57/04/564035704.db2.gz QOFBPPGKXNWAND-UHFFFAOYSA-N 1 1 338.426 4.796 40 0 EJABMO C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 ZINC000225149934 564045213 /nfs/dbraw/zinc/04/52/13/564045213.db2.gz ZDUXTCXUHILBNE-OAQYLSRUSA-N 1 1 344.414 4.827 40 0 EJABMO Cc1nc(N2Cc3ccccc3C(C)(C)C2)cc(Nc2ccccc2)[nH+]1 ZINC000329026646 564071652 /nfs/dbraw/zinc/07/16/52/564071652.db2.gz POHKFWXYBJIMEX-UHFFFAOYSA-N 1 1 344.462 4.826 40 0 EJABMO CC(C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)[nH+]1 ZINC000329026653 564071658 /nfs/dbraw/zinc/07/16/58/564071658.db2.gz POMKKTXBVJKDBX-UHFFFAOYSA-N 1 1 336.483 4.516 40 0 EJABMO CC(C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C2CC2)n1 ZINC000329026653 564071659 /nfs/dbraw/zinc/07/16/59/564071659.db2.gz POMKKTXBVJKDBX-UHFFFAOYSA-N 1 1 336.483 4.516 40 0 EJABMO CC(C)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329049012 564071919 /nfs/dbraw/zinc/07/19/19/564071919.db2.gz ULPDIXHGJWJOJA-UHFFFAOYSA-N 1 1 344.890 4.636 40 0 EJABMO COc1ccc2c(c1)CC[C@@H]1C2=C(C#N)C(=[NH2+])C[C@H]1c1ccccc1 ZINC000013409331 564129007 /nfs/dbraw/zinc/12/90/07/564129007.db2.gz FRLKPJJHNIIODF-OALUTQOASA-N 1 1 328.415 4.742 40 0 EJABMO COc1ccc2oc([C@H](C)[NH2+]Cc3cccc(OC)c3F)c(C)c2c1 ZINC000192681067 564177691 /nfs/dbraw/zinc/17/76/91/564177691.db2.gz JFQCWRHYBZHIMM-ZDUSSCGKSA-N 1 1 343.398 4.748 40 0 EJABMO COc1ccc(C)cc1C[NH2+][C@H](Cc1cccs1)c1nccs1 ZINC000019133624 202000045 /nfs/dbraw/zinc/00/00/45/202000045.db2.gz AHCHDLOEMSVNMF-MRXNPFEDSA-N 1 1 344.505 4.595 40 0 EJABMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038833692 213228019 /nfs/dbraw/zinc/22/80/19/213228019.db2.gz ADLWNTZVQMQLTH-FQEVSTJZSA-N 1 1 336.479 4.661 40 0 EJABMO Cc1ccc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038833433 213228026 /nfs/dbraw/zinc/22/80/26/213228026.db2.gz ZJIVXZDOLGKFBE-KRWDZBQOSA-N 1 1 336.479 4.788 40 0 EJABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4cc5ccccc5o4)C3)nc2c1 ZINC000035446519 213029044 /nfs/dbraw/zinc/02/90/44/213029044.db2.gz JTBIVRRHMMNHNR-INIZCTEOSA-N 1 1 332.403 4.872 40 0 biogenic,in-vitro EJABMO CC(C)[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359299 216165830 /nfs/dbraw/zinc/16/58/30/216165830.db2.gz MQJAKPTUTFTZPN-OAHLLOKOSA-N 1 1 349.400 4.750 40 0 EJABMO Fc1ccccc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072348801 216161074 /nfs/dbraw/zinc/16/10/74/216161074.db2.gz SEDZGKUARVGQTB-SFHVURJKSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348926 216161157 /nfs/dbraw/zinc/16/11/57/216161157.db2.gz KBLNUCCYFBCFJU-GOSISDBHSA-N 1 1 347.437 4.662 40 0 EJABMO CCc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000022522736 212304874 /nfs/dbraw/zinc/30/48/74/212304874.db2.gz FCWSAOBZWMBSIM-KRWDZBQOSA-N 1 1 336.479 4.733 40 0 EJABMO COc1ccccc1C[NH2+][C@H](Cc1ccsc1)c1ccc(C)cn1 ZINC000019215580 212006208 /nfs/dbraw/zinc/00/62/08/212006208.db2.gz LDJQBFRTEQXTJH-LJQANCHMSA-N 1 1 338.476 4.534 40 0 EJABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccc(OC(C)C)cc2)no1 ZINC000012185861 211312896 /nfs/dbraw/zinc/31/28/96/211312896.db2.gz UMIBMNGHZGZTPU-HXUWFJFHSA-N 1 1 328.456 4.888 40 0 EJABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(OC(C)C)cc2)no1 ZINC000012185861 211312899 /nfs/dbraw/zinc/31/28/99/211312899.db2.gz UMIBMNGHZGZTPU-HXUWFJFHSA-N 1 1 328.456 4.888 40 0 EJABMO C[C@@H](C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000012129023 211299654 /nfs/dbraw/zinc/29/96/54/211299654.db2.gz DOQOMEKCWYPGBU-ORYQWCPZSA-N 1 1 349.453 4.536 40 0 EJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214460 257689746 /nfs/dbraw/zinc/68/97/46/257689746.db2.gz UYEGIPATYIFYGT-QGZVFWFLSA-N 1 1 347.503 4.636 40 0 EJABMO COC(=O)c1cccc(Nc2cc(C)[nH+]c3cc(Cl)ccc23)c1 ZINC000000120852 563234080 /nfs/dbraw/zinc/23/40/80/563234080.db2.gz DKGBTYFQAQVLIG-UHFFFAOYSA-N 1 1 326.783 4.727 40 0 EJABMO Cc1cc(Cl)cc2c(=O)c(C[N@H+](C)C3CCCCC3)c(C)[nH]c12 ZINC000000150502 563246021 /nfs/dbraw/zinc/24/60/21/563246021.db2.gz XVYPFEYOZFHXSQ-UHFFFAOYSA-N 1 1 332.875 4.975 40 0 EJABMO c1csc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccccn3)no2)c1 ZINC000012143929 563654710 /nfs/dbraw/zinc/65/47/10/563654710.db2.gz NQBJNAFLBRKNPD-QGZVFWFLSA-N 1 1 339.464 4.915 40 0 EJABMO c1csc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccccn3)no2)c1 ZINC000012143929 563654713 /nfs/dbraw/zinc/65/47/13/563654713.db2.gz NQBJNAFLBRKNPD-QGZVFWFLSA-N 1 1 339.464 4.915 40 0 EJABMO c1ccc(CCC[N@H+]2CCC[C@@]23CCCN(Cc2ccccc2)C3)cc1 ZINC000096214645 563980235 /nfs/dbraw/zinc/98/02/35/563980235.db2.gz VTTLWTDQPJUEMZ-XMMPIXPASA-N 1 1 348.534 4.750 40 0 EJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214342 563984730 /nfs/dbraw/zinc/98/47/30/563984730.db2.gz NBVJOEGQUUHYNH-MRXNPFEDSA-N 1 1 333.476 4.756 40 0 EJABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214638 563984827 /nfs/dbraw/zinc/98/48/27/563984827.db2.gz XQMYNHXSBAPFDD-KRWDZBQOSA-N 1 1 347.503 4.778 40 0 EJABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214639 563984851 /nfs/dbraw/zinc/98/48/51/563984851.db2.gz XQMYNHXSBAPFDD-QGZVFWFLSA-N 1 1 347.503 4.778 40 0 EJABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072214818 563984963 /nfs/dbraw/zinc/98/49/63/563984963.db2.gz LKNDHZIXVWMKDK-KRWDZBQOSA-N 1 1 347.503 4.778 40 0 EJABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214920 563985050 /nfs/dbraw/zinc/98/50/50/563985050.db2.gz ZMYXMXQRXRKZNR-KRWDZBQOSA-N 1 1 347.503 4.778 40 0 EJABMO C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215547 563985275 /nfs/dbraw/zinc/98/52/75/563985275.db2.gz HGRQBAFJBFWAEJ-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215517 563985281 /nfs/dbraw/zinc/98/52/81/563985281.db2.gz LRRWUBQCVGOCJK-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO Cc1cc(N2CCCC2)ncc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218886 563985680 /nfs/dbraw/zinc/98/56/80/563985680.db2.gz JBWLFTHCNTYOLO-NRFANRHFSA-N 1 1 335.495 4.717 40 0 EJABMO Cc1ccc2[nH+]c(-c3ccc(Cl)cc3)c(NC[C@H]3CCCO3)n2c1 ZINC000000417511 563997073 /nfs/dbraw/zinc/99/70/73/563997073.db2.gz NKRCJDJUXGKBHC-MRXNPFEDSA-N 1 1 341.842 4.554 40 0 EJABMO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCC2)cc1 ZINC000000417118 563997114 /nfs/dbraw/zinc/99/71/14/563997114.db2.gz KKRKGLGPSLZPAE-UHFFFAOYSA-N 1 1 327.815 4.715 40 0 EJABMO CN(C)c1ccc(-c2[nH+]c3ccccn3c2NCc2ccccc2)cc1 ZINC000000413662 563997228 /nfs/dbraw/zinc/99/72/28/563997228.db2.gz LOYDXCWLIQUJKP-UHFFFAOYSA-N 1 1 342.446 4.679 40 0 EJABMO Clc1ccc2nc(C3CC[NH+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000005626368 564014230 /nfs/dbraw/zinc/01/42/30/564014230.db2.gz OZUGAJOHPMGBEQ-UHFFFAOYSA-N 1 1 325.843 4.596 40 0 EJABMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000049168896 564032517 /nfs/dbraw/zinc/03/25/17/564032517.db2.gz RVRFZFBILLZJFV-AWEZNQCLSA-N 1 1 346.352 4.836 40 0 biogenic,in-vitro EJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000038834091 213228835 /nfs/dbraw/zinc/22/88/35/213228835.db2.gz HNAWCGVJEKIAJI-UHFFFAOYSA-N 1 1 341.414 4.645 40 0 EJABMO Cc1cc(C(C)(C)C)c(OCCC[NH+]2CCOCC2)c(C(C)(C)C)c1 ZINC000031923235 202213253 /nfs/dbraw/zinc/21/32/53/202213253.db2.gz DPITWIYSULDYSE-UHFFFAOYSA-N 1 1 347.543 4.691 40 0 in-vitro EJABMO Fc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357679 216164796 /nfs/dbraw/zinc/16/47/96/216164796.db2.gz ZGJIPBREWVECMP-QFIPXVFZSA-N 1 1 347.437 4.544 40 0 EJABMO Cc1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357676 216165028 /nfs/dbraw/zinc/16/50/28/216165028.db2.gz UPVLEXGNBMIXTI-HSZRJFAPSA-N 1 1 343.474 4.713 40 0 EJABMO CCN(CC)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022076870 212277112 /nfs/dbraw/zinc/27/71/12/212277112.db2.gz NBUMFHHPGRMBMZ-UHFFFAOYSA-N 1 1 341.282 4.685 40 0 EJABMO C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072348590 203203439 /nfs/dbraw/zinc/20/34/39/203203439.db2.gz BMIVVMOFVFPHCS-OAHLLOKOSA-N 1 1 334.385 4.500 40 0 EJABMO Cc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000072357663 203204157 /nfs/dbraw/zinc/20/41/57/203204157.db2.gz ZGTMWPAFCHLTNS-QHCPKHFHSA-N 1 1 343.474 4.713 40 0 EJABMO Fc1cccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)c1 ZINC000072357669 203205581 /nfs/dbraw/zinc/20/55/81/203205581.db2.gz QSVDZCPLUKSPIP-QFIPXVFZSA-N 1 1 347.437 4.544 40 0 EJABMO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000257247858 244261689 /nfs/dbraw/zinc/26/16/89/244261689.db2.gz JAWSAXZREWFQIP-MRXNPFEDSA-N 1 1 328.431 4.527 40 0 EJABMO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)cc1 ZINC000019240229 212008926 /nfs/dbraw/zinc/00/89/26/212008926.db2.gz KWRPUZQFLVRAOT-KRWDZBQOSA-N 1 1 344.505 4.595 40 0 EJABMO COc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)c1 ZINC000019240242 212008890 /nfs/dbraw/zinc/00/88/90/212008890.db2.gz DUPWUMSMRWPZPF-KRWDZBQOSA-N 1 1 344.505 4.595 40 0 EJABMO c1csc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccncc3)no2)c1 ZINC000012143926 211304713 /nfs/dbraw/zinc/30/47/13/211304713.db2.gz QDSVIUMENUCLQG-KRWDZBQOSA-N 1 1 339.464 4.915 40 0 EJABMO c1csc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccncc3)no2)c1 ZINC000012143926 211304714 /nfs/dbraw/zinc/30/47/14/211304714.db2.gz QDSVIUMENUCLQG-KRWDZBQOSA-N 1 1 339.464 4.915 40 0 EJABMO C[N@H+]1CCC[C@@H]1CCOc1ccccc1Oc1cccc(Cl)c1 ZINC000257215448 536370309 /nfs/dbraw/zinc/37/03/09/536370309.db2.gz CQDKZWFIABNYJD-MRXNPFEDSA-N 1 1 331.843 4.995 40 0 EJABMO CCC(CC)[N@@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656146 563399629 /nfs/dbraw/zinc/39/96/29/563399629.db2.gz IDYUSIGMOWUUAY-UHFFFAOYSA-N 1 1 343.515 4.802 40 0 EJABMO CCCC[N@@H+](CCNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000005837930 563551765 /nfs/dbraw/zinc/55/17/65/563551765.db2.gz HQNULEHJYXEBBF-INIZCTEOSA-N 1 1 329.488 4.556 40 0 EJABMO CCc1cccc(CC)c1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038856258 563922315 /nfs/dbraw/zinc/92/23/15/563922315.db2.gz IJLGNTPVEMQBDJ-UHFFFAOYSA-N 1 1 347.462 4.617 40 0 EJABMO c1ccc(CN2CC[C@H]([NH2+]C3CCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000072341600 563966395 /nfs/dbraw/zinc/96/63/95/563966395.db2.gz NCIDXTBGDVKDPB-GOTSBHOMSA-N 1 1 334.507 4.577 40 0 EJABMO O=C1CCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2Cc1ccccc1 ZINC000095951723 563977809 /nfs/dbraw/zinc/97/78/09/563977809.db2.gz BHSGJDHMYNLSPY-VWPQPMDRSA-N 1 1 337.438 4.553 40 0 biogenic EJABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214523 563984756 /nfs/dbraw/zinc/98/47/56/563984756.db2.gz PHWHFBXKHRRUPD-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214401 563984772 /nfs/dbraw/zinc/98/47/72/563984772.db2.gz DWNPVPOQWAOLTB-INIZCTEOSA-N 1 1 333.476 4.612 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072214738 563984887 /nfs/dbraw/zinc/98/48/87/563984887.db2.gz ZNBJJIWFYLTJHO-QGZVFWFLSA-N 1 1 347.503 4.778 40 0 EJABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214817 563985003 /nfs/dbraw/zinc/98/50/03/563985003.db2.gz JTGPUQCILAPFEH-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072215141 563985168 /nfs/dbraw/zinc/98/51/68/563985168.db2.gz GLJXFSGZGBTCQP-WBVHZDCISA-N 1 1 347.503 4.778 40 0 EJABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215322 563985193 /nfs/dbraw/zinc/98/51/93/563985193.db2.gz UOKFWWIALNJGJJ-KRWDZBQOSA-N 1 1 345.487 4.531 40 0 EJABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215493 563985288 /nfs/dbraw/zinc/98/52/88/563985288.db2.gz MLEAOHRODXZGBG-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216691 563985534 /nfs/dbraw/zinc/98/55/34/563985534.db2.gz KQIIZZICHODSKM-OAQYLSRUSA-N 1 1 335.495 4.799 40 0 EJABMO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)(C)C)ccc1O ZINC000000412147 563996956 /nfs/dbraw/zinc/99/69/56/563996956.db2.gz OZOQPDZKOUURRI-UHFFFAOYSA-N 1 1 345.830 4.579 40 0 EJABMO Cc1cccn2c(NC[C@H]3CCCO3)c(-c3ccc(Cl)cc3)[nH+]c12 ZINC000000904165 564001216 /nfs/dbraw/zinc/00/12/16/564001216.db2.gz MEJHUYYSCXHHKT-MRXNPFEDSA-N 1 1 341.842 4.554 40 0 EJABMO CC[C@H]1C[N@@H+](CCc2ccccc2)Cc2cc3cccc(C)c3nc2O1 ZINC000013563870 564020362 /nfs/dbraw/zinc/02/03/62/564020362.db2.gz ROEZGJAWTWQICA-NRFANRHFSA-N 1 1 346.474 4.759 40 0 EJABMO c1[nH]c2ccccc2c1C[N@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168938 564032579 /nfs/dbraw/zinc/03/25/79/564032579.db2.gz CLZIFNCUUCYEHZ-AWEZNQCLSA-N 1 1 333.460 4.767 40 0 biogenic,in-vitro EJABMO Cc1ccc(C(=O)CN(c2ccccc2C)C2=[NH+]CCCC2)c(C)c1 ZINC000008410430 564035635 /nfs/dbraw/zinc/03/56/35/564035635.db2.gz CTEWMKDAZAGVQY-UHFFFAOYSA-N 1 1 334.463 4.884 40 0 EJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C(C)C)cc1 ZINC000225580401 564048021 /nfs/dbraw/zinc/04/80/21/564048021.db2.gz RUWKCMRVRGNFLA-IBGZPJMESA-N 1 1 347.572 4.751 40 0 EJABMO Fc1cccc(Cc2cnc([C@@H]3CCC[N@@H+]3Cc3ccccc3)o2)c1 ZINC000257299854 564055053 /nfs/dbraw/zinc/05/50/53/564055053.db2.gz RRXUCOGSOMGOHZ-FQEVSTJZSA-N 1 1 336.410 4.742 40 0 EJABMO Fc1cccc(Cc2cnc([C@@H]3CCC[N@H+]3Cc3ccccc3)o2)c1 ZINC000257299854 564055054 /nfs/dbraw/zinc/05/50/54/564055054.db2.gz RRXUCOGSOMGOHZ-FQEVSTJZSA-N 1 1 336.410 4.742 40 0 EJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000329013069 564071509 /nfs/dbraw/zinc/07/15/09/564071509.db2.gz MNPRIGLDGJEKEN-GJZGRUSLSA-N 1 1 336.483 4.516 40 0 EJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C2CC2)n1 ZINC000329013069 564071510 /nfs/dbraw/zinc/07/15/10/564071510.db2.gz MNPRIGLDGJEKEN-GJZGRUSLSA-N 1 1 336.483 4.516 40 0 EJABMO C[C@H]1Cc2ccccc2CN1c1cc(NC2CCCC2)[nH+]c(C2CC2)n1 ZINC000329068972 564072122 /nfs/dbraw/zinc/07/21/22/564072122.db2.gz YTEUHRRVJOODNT-HNNXBMFYSA-N 1 1 348.494 4.660 40 0 EJABMO C[C@H]1Cc2ccccc2CN1c1cc(NC2CCCC2)nc(C2CC2)[nH+]1 ZINC000329068972 564072123 /nfs/dbraw/zinc/07/21/23/564072123.db2.gz YTEUHRRVJOODNT-HNNXBMFYSA-N 1 1 348.494 4.660 40 0 EJABMO C[N@H+]1[C@H](c2ccccc2)C[C@H](O)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000245380446 564097503 /nfs/dbraw/zinc/09/75/03/564097503.db2.gz ZIIZMWKPNMCHTR-NEWJYFPISA-N 1 1 343.470 4.949 40 0 EJABMO C[N@@H+]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H](O)C[C@H]1c1ccccc1 ZINC000033901433 564118432 /nfs/dbraw/zinc/11/84/32/564118432.db2.gz ZIIZMWKPNMCHTR-ZJZGAYNASA-N 1 1 343.470 4.949 40 0 EJABMO c1csc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccnc3)no2)c1 ZINC000012143925 201828676 /nfs/dbraw/zinc/82/86/76/201828676.db2.gz PMSKDPJJHHVPMJ-QGZVFWFLSA-N 1 1 339.464 4.915 40 0 EJABMO c1csc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccnc3)no2)c1 ZINC000012143925 201828680 /nfs/dbraw/zinc/82/86/80/201828680.db2.gz PMSKDPJJHHVPMJ-QGZVFWFLSA-N 1 1 339.464 4.915 40 0 EJABMO 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 219187265 /nfs/dbraw/zinc/18/72/65/219187265.db2.gz KUFAUZJRIITNBN-KNPYFFGGSA-N 1 1 333.560 4.758 40 0 EJABMO CCc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000038835376 213227694 /nfs/dbraw/zinc/22/76/94/213227694.db2.gz XRNBRQNVZWSCES-QGZVFWFLSA-N 1 1 336.479 4.733 40 0 EJABMO O[C@@H](c1ccccc1)[C@@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000031923897 202213732 /nfs/dbraw/zinc/21/37/32/202213732.db2.gz ZRLBPOAWKPNOPZ-PKTZIBPZSA-N 1 1 329.443 4.520 40 0 EJABMO Clc1cccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000072358325 216165473 /nfs/dbraw/zinc/16/54/73/216165473.db2.gz ULEHLQNJCWGEKD-INIZCTEOSA-N 1 1 341.886 4.919 40 0 EJABMO Fc1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072357711 216164554 /nfs/dbraw/zinc/16/45/54/216164554.db2.gz RQGQKYUMPYOPLS-JOCHJYFZSA-N 1 1 347.437 4.544 40 0 EJABMO c1cc(-c2nnc([C@@H]3CCCC[N@@H+]3CCc3ccccc3)o2)cs1 ZINC000072390150 216190619 /nfs/dbraw/zinc/19/06/19/216190619.db2.gz NZHBGUWUPSHCME-KRWDZBQOSA-N 1 1 339.464 4.568 40 0 EJABMO CCc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022522732 212304167 /nfs/dbraw/zinc/30/41/67/212304167.db2.gz FCWSAOBZWMBSIM-QGZVFWFLSA-N 1 1 336.479 4.733 40 0 EJABMO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072379086 203211253 /nfs/dbraw/zinc/21/12/53/203211253.db2.gz BTFRQMZLMLUPSI-HXUWFJFHSA-N 1 1 346.478 4.728 40 0 EJABMO Fc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072348800 203203854 /nfs/dbraw/zinc/20/38/54/203203854.db2.gz SEDZGKUARVGQTB-GOSISDBHSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072357712 203204566 /nfs/dbraw/zinc/20/45/66/203204566.db2.gz RQGQKYUMPYOPLS-QFIPXVFZSA-N 1 1 347.437 4.544 40 0 EJABMO c1csc(-c2nnc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)o2)c1 ZINC000019344820 212019741 /nfs/dbraw/zinc/01/97/41/212019741.db2.gz DPGSXLXMBULXNK-OAHLLOKOSA-N 1 1 331.485 4.558 40 0 EJABMO Cn1cccc1C[N@@H+]1CCCCC[C@@H]1c1cc(-c2cccs2)on1 ZINC000019291136 212011820 /nfs/dbraw/zinc/01/18/20/212011820.db2.gz CPSYBAJXZOCCGH-QGZVFWFLSA-N 1 1 341.480 4.859 40 0 EJABMO Cn1cccc1C[N@H+]1CCCCC[C@@H]1c1cc(-c2cccs2)on1 ZINC000019291136 212011822 /nfs/dbraw/zinc/01/18/22/212011822.db2.gz CPSYBAJXZOCCGH-QGZVFWFLSA-N 1 1 341.480 4.859 40 0 EJABMO C/C(=C\c1ccccc1)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000012128740 211299394 /nfs/dbraw/zinc/29/93/94/211299394.db2.gz WFMYCLUBUXRSBR-YLFSKNCBSA-N 1 1 343.474 4.696 40 0 EJABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216692 257687978 /nfs/dbraw/zinc/68/79/78/257687978.db2.gz KQIIZZICHODSKM-NRFANRHFSA-N 1 1 335.495 4.799 40 0 EJABMO Cc1ccc(N(CC(=O)c2ccc(F)cc2)C2=[NH+]CCCCC2)cc1 ZINC000008411719 258012152 /nfs/dbraw/zinc/01/21/52/258012152.db2.gz CVNDRTDPVKENOY-UHFFFAOYSA-N 1 1 338.426 4.796 40 0 EJABMO Cc1ccccc1N(CC(=O)c1ccc(Cl)cc1)C1=[NH+]CCCC1 ZINC000008415713 262520394 /nfs/dbraw/zinc/52/03/94/262520394.db2.gz LMDAULDOTKTBNO-UHFFFAOYSA-N 1 1 340.854 4.920 40 0 EJABMO C[N@H+]1CCC[C@H]1CCOc1ccccc1Oc1ccc(Cl)cc1 ZINC000257204967 536390265 /nfs/dbraw/zinc/39/02/65/536390265.db2.gz AXBOCMUOFVYRHJ-INIZCTEOSA-N 1 1 331.843 4.995 40 0 EJABMO Brc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211635 563984413 /nfs/dbraw/zinc/98/44/13/563984413.db2.gz MITUYOFDPFMEEL-MRXNPFEDSA-N 1 1 331.257 4.571 40 0 EJABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 ZINC000001482030 563391037 /nfs/dbraw/zinc/39/10/37/563391037.db2.gz ZWPODSUQWXAZNC-YOFSQIOKSA-N 1 1 333.475 4.516 40 0 in-man EJABMO CCCC[N@@H+](CC)C[C@@H](CC)Nc1cc(OC)cc2cccnc21 ZINC000001592129 563395024 /nfs/dbraw/zinc/39/50/24/563395024.db2.gz MSAOVUPSUJPSAC-QGZVFWFLSA-N 1 1 329.488 4.556 40 0 EJABMO COc1cc2cccnc2c(NCC[N@@H+](CC(C)C)[C@H](C)C(C)C)c1 ZINC000001621070 563397115 /nfs/dbraw/zinc/39/71/15/563397115.db2.gz QOFYEMDBVKFVBT-QGZVFWFLSA-N 1 1 343.515 4.658 40 0 EJABMO CCCC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000001672017 563401684 /nfs/dbraw/zinc/40/16/84/563401684.db2.gz XCJDGUPOJRRALG-FQEVSTJZSA-N 1 1 347.886 4.684 40 0 EJABMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+](CC)C1CCCCC1 ZINC000006356050 563565885 /nfs/dbraw/zinc/56/58/85/563565885.db2.gz HUHCJNJBZMWXPS-PKOBYXMFSA-N 1 1 333.516 4.594 40 0 EJABMO Brc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072211635 563984412 /nfs/dbraw/zinc/98/44/12/563984412.db2.gz MITUYOFDPFMEEL-MRXNPFEDSA-N 1 1 331.257 4.571 40 0 EJABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214341 563984680 /nfs/dbraw/zinc/98/46/80/563984680.db2.gz YDMLKMFGJDTJEX-INIZCTEOSA-N 1 1 333.476 4.612 40 0 EJABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214874 563984973 /nfs/dbraw/zinc/98/49/73/563984973.db2.gz AIEMKWAPIKSUDO-QGZVFWFLSA-N 1 1 347.503 4.778 40 0 EJABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215339 563985206 /nfs/dbraw/zinc/98/52/06/563985206.db2.gz XWFPXJIVKOBWEQ-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215516 563985300 /nfs/dbraw/zinc/98/53/00/563985300.db2.gz LRRWUBQCVGOCJK-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072219269 563985767 /nfs/dbraw/zinc/98/57/67/563985767.db2.gz XKUHDEMVKPZUNL-NRFANRHFSA-N 1 1 335.495 4.717 40 0 EJABMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000005721240 564014197 /nfs/dbraw/zinc/01/41/97/564014197.db2.gz WPSGCUBUKCRVEC-FGTMMUONSA-N 1 1 336.479 4.659 40 0 EJABMO CCc1cccc2cc3c(nc21)O[C@H](C)C[N@H+](CCc1ccccc1)C3 ZINC000013563848 564020373 /nfs/dbraw/zinc/02/03/73/564020373.db2.gz WROVGMAVROOQPM-QGZVFWFLSA-N 1 1 346.474 4.623 40 0 EJABMO CCc1cccc2cc3c(nc21)O[C@H](C)C[N@@H+](CCc1ccccc1)C3 ZINC000013563848 564020374 /nfs/dbraw/zinc/02/03/74/564020374.db2.gz WROVGMAVROOQPM-QGZVFWFLSA-N 1 1 346.474 4.623 40 0 EJABMO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](CC4CCCCC4)C3)o2)cc1 ZINC000049169410 564032565 /nfs/dbraw/zinc/03/25/65/564032565.db2.gz AILXVOLVGVITRG-INIZCTEOSA-N 1 1 345.874 4.760 40 0 biogenic,in-vitro EJABMO CC1=C[C@@H](C)[C@H](CNCC[NH2+]C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@H](C)C1 ZINC000034378052 564038813 /nfs/dbraw/zinc/03/88/13/564038813.db2.gz XPPZSKFTXPXUHK-BTOHRNCKSA-N 1 1 332.576 4.642 40 0 EJABMO CC1=C[C@@H](C)[C@H](C[NH2+]CCNC[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@H](C)C1 ZINC000034378052 564038814 /nfs/dbraw/zinc/03/88/14/564038814.db2.gz XPPZSKFTXPXUHK-BTOHRNCKSA-N 1 1 332.576 4.642 40 0 EJABMO COc1ccc(Nc2[nH+]c3ccccc3n2Cc2ccccc2)cc1 ZINC000000513366 564043702 /nfs/dbraw/zinc/04/37/02/564043702.db2.gz VVAMEGBDMWMBEQ-UHFFFAOYSA-N 1 1 329.403 4.837 40 0 EJABMO Cc1nc(N2Cc3ccccc3CC2(C)C)cc(Nc2ccccc2)[nH+]1 ZINC000329036596 564071727 /nfs/dbraw/zinc/07/17/27/564071727.db2.gz RKHHBNVVDHJSCP-UHFFFAOYSA-N 1 1 344.462 4.870 40 0 EJABMO CC[NH+](CC)CCNc1c2c(nc3ccccc31)-c1ccc(F)cc1C2 ZINC000004542561 210217715 /nfs/dbraw/zinc/21/77/15/210217715.db2.gz JMNPTIAPLYAUON-UHFFFAOYSA-N 1 1 349.453 4.699 40 0 EJABMO COc1cccc(C[NH2+][C@H](Cc2cccs2)c2nc(C)cs2)c1 ZINC000019240094 202001043 /nfs/dbraw/zinc/00/10/43/202001043.db2.gz ZYGREHFZUWFWEJ-QGZVFWFLSA-N 1 1 344.505 4.595 40 0 EJABMO Cc1csc([C@@H](Cc2ccsc2)[NH2+]Cc2cccc(F)c2)n1 ZINC000019240240 202001417 /nfs/dbraw/zinc/00/14/17/202001417.db2.gz BNIOPQOWTQCBGG-MRXNPFEDSA-N 1 1 332.469 4.726 40 0 EJABMO c1ccc(C2CCC([NH+]3CCN([C@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000019831816 202022248 /nfs/dbraw/zinc/02/22/48/202022248.db2.gz LRFGDHOYBPTOBR-XXZAMGIKSA-N 1 1 338.539 4.519 40 0 EJABMO CC(C)Nc1c(-c2ccc(N(C)C)cc2)[nH+]c2ccc(Cl)cn21 ZINC000000413727 209576406 /nfs/dbraw/zinc/57/64/06/209576406.db2.gz WJEGNCITISDFDP-UHFFFAOYSA-N 1 1 328.847 4.541 40 0 EJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CCCCCCC3)cc2)C1 ZINC000022515900 212303775 /nfs/dbraw/zinc/30/37/75/212303775.db2.gz LTEDLJRNZRHUFH-SFHVURJKSA-N 1 1 342.527 4.761 40 0 EJABMO Fc1cccc(C[N@@H+]2CC=C(c3nc4cc(Cl)ccc4o3)CC2)c1 ZINC000216785139 241210139 /nfs/dbraw/zinc/21/01/39/241210139.db2.gz PPTQTSFBIVSOQQ-UHFFFAOYSA-N 1 1 342.801 4.910 40 0 EJABMO Fc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348802 203203110 /nfs/dbraw/zinc/20/31/10/203203110.db2.gz DAKRJXSWRPNPIO-LJQANCHMSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348838 203203139 /nfs/dbraw/zinc/20/31/39/203203139.db2.gz CLCDALOQQUCTTF-LJQANCHMSA-N 1 1 347.437 4.662 40 0 EJABMO COc1cc(C)c(C[N@H+]2CCCCC[C@H]2c2cc(C)no2)cc1C ZINC000019567355 212043439 /nfs/dbraw/zinc/04/34/39/212043439.db2.gz GHRJEOOPWOUHFX-SFHVURJKSA-N 1 1 328.456 4.726 40 0 EJABMO C=Cn1ncc(C[N@@H+](CCc2ccccc2)Cc2cccs2)c1C ZINC000019554302 212041019 /nfs/dbraw/zinc/04/10/19/212041019.db2.gz PUIGCUVWIQBRJB-UHFFFAOYSA-N 1 1 337.492 4.598 40 0 EJABMO CCn1c(C[NH2+]C2(c3ccccc3F)CCCC2)nc2ccccc21 ZINC000019524369 212038402 /nfs/dbraw/zinc/03/84/02/212038402.db2.gz KRCNBTUKOCGAPG-UHFFFAOYSA-N 1 1 337.442 4.754 40 0 EJABMO C[C@@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1)c1ccccc1 ZINC000019455973 212029611 /nfs/dbraw/zinc/02/96/11/212029611.db2.gz ISYWFVNUMGRPOM-JXFKEZNVSA-N 1 1 349.478 4.650 40 0 EJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C(C)C)n1 ZINC000328979565 257908508 /nfs/dbraw/zinc/90/85/08/257908508.db2.gz GGDWQVXOSKPXSW-JKSUJKDBSA-N 1 1 338.499 4.762 40 0 EJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)C1 ZINC000038755757 132396996 /nfs/dbraw/zinc/39/69/96/132396996.db2.gz AOEUVQNQWZGMKZ-SFHVURJKSA-N 1 1 348.490 4.512 40 0 EJABMO CC[C@@H](C)[N@@H+](CCNc1cc(OC)cc2cccnc21)CCC(C)C ZINC000001656116 563399502 /nfs/dbraw/zinc/39/95/02/563399502.db2.gz WZXGYORNSOXLGS-QGZVFWFLSA-N 1 1 343.515 4.802 40 0 EJABMO CCCC[N@@H+](CCNc1cc(OC)cc2cccnc21)C[C@H](C)CC ZINC000001653254 563399587 /nfs/dbraw/zinc/39/95/87/563399587.db2.gz NQFXOYSWSKBKDZ-QGZVFWFLSA-N 1 1 343.515 4.804 40 0 EJABMO CCCC[N@@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656138 563399593 /nfs/dbraw/zinc/39/95/93/563399593.db2.gz HFMAQZFEIQCIQA-UHFFFAOYSA-N 1 1 343.515 4.804 40 0 EJABMO CC[NH+](CC)CCCNCc1cc(-c2ccccc2)nc2ccccc12 ZINC000001729528 563407827 /nfs/dbraw/zinc/40/78/27/563407827.db2.gz PMJAYRPEIYOTQU-UHFFFAOYSA-N 1 1 347.506 4.723 40 0 EJABMO CCn1nc(C)c(C[N@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000012228191 563656544 /nfs/dbraw/zinc/65/65/44/563656544.db2.gz XHSUFUPOHKMCQJ-NRFANRHFSA-N 1 1 337.511 4.680 40 0 EJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)C1 ZINC000038833792 563922175 /nfs/dbraw/zinc/92/21/75/563922175.db2.gz HICJEOXRMIMZOQ-HNNXBMFYSA-N 1 1 342.870 4.824 40 0 EJABMO Cc1ccc(Oc2ccc(F)cc2OCC[C@H]2CCC[N@@H+]2C)cc1 ZINC000585266163 563981166 /nfs/dbraw/zinc/98/11/66/563981166.db2.gz BSDPBUMLOKKVSS-QGZVFWFLSA-N 1 1 329.415 4.790 40 0 EJABMO C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215608 563984363 /nfs/dbraw/zinc/98/43/63/563984363.db2.gz BXKINAIMQVLGAJ-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214461 563984753 /nfs/dbraw/zinc/98/47/53/563984753.db2.gz UYEGIPATYIFYGT-KRWDZBQOSA-N 1 1 347.503 4.636 40 0 EJABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072214572 563984848 /nfs/dbraw/zinc/98/48/48/563984848.db2.gz WEBMAXBFKCSLSH-KRWDZBQOSA-N 1 1 347.503 4.636 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072214677 563984926 /nfs/dbraw/zinc/98/49/26/563984926.db2.gz KEQPNMBJMUFZDF-KRWDZBQOSA-N 1 1 347.503 4.778 40 0 EJABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072214801 563984936 /nfs/dbraw/zinc/98/49/36/563984936.db2.gz NYWBWKJZSPNJBV-KRWDZBQOSA-N 1 1 347.503 4.636 40 0 EJABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC)cn1 ZINC000072215101 563985108 /nfs/dbraw/zinc/98/51/08/563985108.db2.gz GZJHLFLPPACLTO-NVXWUHKLSA-N 1 1 347.503 4.778 40 0 EJABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC)cn1 ZINC000072215102 563985132 /nfs/dbraw/zinc/98/51/32/563985132.db2.gz GZJHLFLPPACLTO-DOTOQJQBSA-N 1 1 347.503 4.778 40 0 EJABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072215143 563985165 /nfs/dbraw/zinc/98/51/65/563985165.db2.gz GLJXFSGZGBTCQP-NVXWUHKLSA-N 1 1 347.503 4.778 40 0 EJABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215398 563985183 /nfs/dbraw/zinc/98/51/83/563985183.db2.gz NKWNZQUYHVLBLQ-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO Cc1cc(N2CCCCC2)ncc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072219210 563985743 /nfs/dbraw/zinc/98/57/43/563985743.db2.gz VFSXXYKZHIYWKT-OAQYLSRUSA-N 1 1 335.495 4.717 40 0 EJABMO Cc1cccn2c(NC[C@@H]3CCCO3)c(-c3ccc(Cl)cc3)[nH+]c12 ZINC000000904166 564001196 /nfs/dbraw/zinc/00/11/96/564001196.db2.gz MEJHUYYSCXHHKT-INIZCTEOSA-N 1 1 341.842 4.554 40 0 EJABMO CCc1ccc(C[N@@H+](Cc2ccc(OC)cc2)Cc2cccnc2)cc1 ZINC000013569085 564020127 /nfs/dbraw/zinc/02/01/27/564020127.db2.gz VJCBTUTVDPCIKV-UHFFFAOYSA-N 1 1 346.474 4.855 40 0 EJABMO CCc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccc2OC)cc1 ZINC000013569082 564020144 /nfs/dbraw/zinc/02/01/44/564020144.db2.gz XXSKUCBIKXJFLB-UHFFFAOYSA-N 1 1 346.474 4.855 40 0 EJABMO CCc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2OC)cc1 ZINC000013569082 564020145 /nfs/dbraw/zinc/02/01/45/564020145.db2.gz XXSKUCBIKXJFLB-UHFFFAOYSA-N 1 1 346.474 4.855 40 0 EJABMO Cc1ccc2cc3c(nc2c1C)O[C@H](C)C[N@H+](CCc1ccccc1)C3 ZINC000013561589 564020328 /nfs/dbraw/zinc/02/03/28/564020328.db2.gz VLDMRCXQMXXOPC-QGZVFWFLSA-N 1 1 346.474 4.677 40 0 EJABMO Cc1ccc2cc3c(nc2c1C)O[C@H](C)C[N@@H+](CCc1ccccc1)C3 ZINC000013561589 564020329 /nfs/dbraw/zinc/02/03/29/564020329.db2.gz VLDMRCXQMXXOPC-QGZVFWFLSA-N 1 1 346.474 4.677 40 0 EJABMO c1ccc(C[N@H+](Cc2ccncc2)Cc2ccc3ccccc3n2)cc1 ZINC000013989238 564020764 /nfs/dbraw/zinc/02/07/64/564020764.db2.gz SKPUOFBZORYUPN-UHFFFAOYSA-N 1 1 339.442 4.832 40 0 EJABMO c1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc3ccccc3n2)cc1 ZINC000013989238 564020765 /nfs/dbraw/zinc/02/07/65/564020765.db2.gz SKPUOFBZORYUPN-UHFFFAOYSA-N 1 1 339.442 4.832 40 0 EJABMO Clc1cccc(C[N@H+]2CC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000049168915 564032571 /nfs/dbraw/zinc/03/25/71/564032571.db2.gz AOQDTMMRYBJYPQ-AWEZNQCLSA-N 1 1 328.868 4.939 40 0 biogenic,in-vitro EJABMO COc1ccc2[nH]cc([C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)c2c1 ZINC000057744989 564035031 /nfs/dbraw/zinc/03/50/31/564035031.db2.gz DIEHEYPUACOTSS-OAHLLOKOSA-N 1 1 340.854 4.819 40 0 EJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)C1 ZINC000224332946 564042429 /nfs/dbraw/zinc/04/24/29/564042429.db2.gz QIQCSEPHUUNZCK-KRWDZBQOSA-N 1 1 344.543 4.863 40 0 EJABMO COC(=O)c1ccc(Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)cc1 ZINC000040175522 564045837 /nfs/dbraw/zinc/04/58/37/564045837.db2.gz TXQCWFITLUOBAE-UHFFFAOYSA-N 1 1 346.308 4.784 40 0 EJABMO C[N@H+]1[C@@H](c2ccccc2)C[C@H](O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000033901434 564050233 /nfs/dbraw/zinc/05/02/33/564050233.db2.gz ZIIZMWKPNMCHTR-SBFWRKJZSA-N 1 1 343.470 4.949 40 0 EJABMO CCCC[C@@H](CC)CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260853484 564052693 /nfs/dbraw/zinc/05/26/93/564052693.db2.gz YVWUSEMEMDCNFC-RBUKOAKNSA-N 1 1 344.543 4.865 40 0 EJABMO Fc1cccc(Cc2cnc([C@H]3CCC[N@@H+]3Cc3ccccc3)o2)c1 ZINC000257299855 564055030 /nfs/dbraw/zinc/05/50/30/564055030.db2.gz RRXUCOGSOMGOHZ-HXUWFJFHSA-N 1 1 336.410 4.742 40 0 EJABMO Fc1cccc(Cc2cnc([C@H]3CCC[N@H+]3Cc3ccccc3)o2)c1 ZINC000257299855 564055031 /nfs/dbraw/zinc/05/50/31/564055031.db2.gz RRXUCOGSOMGOHZ-HXUWFJFHSA-N 1 1 336.410 4.742 40 0 EJABMO Fc1cccc(Cc2cnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)c1 ZINC000257334440 564055671 /nfs/dbraw/zinc/05/56/71/564055671.db2.gz YFWOBTUMVPBXAC-INIZCTEOSA-N 1 1 328.431 4.527 40 0 EJABMO Cc1cccc2[nH+]c(-c3ccc(N)cc3)c(NCc3ccccc3)n21 ZINC000001347565 564086266 /nfs/dbraw/zinc/08/62/66/564086266.db2.gz ZTSGCTSPTAZHEE-UHFFFAOYSA-N 1 1 328.419 4.504 40 0 EJABMO O[C@H](c1ccccc1)[C@@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000031923896 564177455 /nfs/dbraw/zinc/17/74/55/564177455.db2.gz ZRLBPOAWKPNOPZ-DHIUTWEWSA-N 1 1 329.443 4.520 40 0 EJABMO C[C@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1)c1ccccc1 ZINC000019455975 202008682 /nfs/dbraw/zinc/00/86/82/202008682.db2.gz ISYWFVNUMGRPOM-UZLBHIALSA-N 1 1 349.478 4.650 40 0 EJABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000019570326 202012428 /nfs/dbraw/zinc/01/24/28/202012428.db2.gz LZNTVDJUUFYRPZ-IBGZPJMESA-N 1 1 332.447 4.623 40 0 EJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000038860004 213230050 /nfs/dbraw/zinc/23/00/50/213230050.db2.gz YMMYGUUZDMPIIT-UHFFFAOYSA-N 1 1 347.462 4.924 40 0 EJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)C1 ZINC000038852449 213228773 /nfs/dbraw/zinc/22/87/73/213228773.db2.gz VIILUWIYFLULNF-GOSISDBHSA-N 1 1 340.511 4.539 40 0 EJABMO Fc1ccc(C[N@@H+]2CCc3nc(-c4cccc(F)c4)sc3C2)cc1 ZINC000036752074 202330655 /nfs/dbraw/zinc/33/06/55/202330655.db2.gz ZQJGLWNTNFGPRR-UHFFFAOYSA-N 1 1 342.414 4.647 40 0 EJABMO Fc1ccc(C[N@H+]2CCc3nc(-c4cccc(F)c4)sc3C2)cc1 ZINC000036752074 202330658 /nfs/dbraw/zinc/33/06/58/202330658.db2.gz ZQJGLWNTNFGPRR-UHFFFAOYSA-N 1 1 342.414 4.647 40 0 EJABMO Clc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000072358324 216166324 /nfs/dbraw/zinc/16/63/24/216166324.db2.gz ULEHLQNJCWGEKD-MRXNPFEDSA-N 1 1 341.886 4.919 40 0 EJABMO Fc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072348836 216160905 /nfs/dbraw/zinc/16/09/05/216160905.db2.gz YKNMOIKBNAFJTO-GOSISDBHSA-N 1 1 347.437 4.662 40 0 EJABMO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072379085 216181114 /nfs/dbraw/zinc/18/11/14/216181114.db2.gz BTFRQMZLMLUPSI-FQEVSTJZSA-N 1 1 346.478 4.728 40 0 EJABMO COc1ccc([C@@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2C2CC2)cc1 ZINC000072393375 216193215 /nfs/dbraw/zinc/19/32/15/216193215.db2.gz DGBGCXDKPZAEEX-CQSZACIVSA-N 1 1 335.451 4.642 40 0 EJABMO c1cc(C2CCCCC2)ccc1OCCCCCC[NH+]1CCNCC1 ZINC000022440849 212297898 /nfs/dbraw/zinc/29/78/98/212297898.db2.gz GVNAAORQEWBFDE-UHFFFAOYSA-N 1 1 344.543 4.579 40 0 EJABMO Fc1ccc(Cc2cnc([C@H]3CCC[N@@H+]3Cc3ccccc3)o2)cc1 ZINC000257219049 244178874 /nfs/dbraw/zinc/17/88/74/244178874.db2.gz DFLABWWHQUPYRT-HXUWFJFHSA-N 1 1 336.410 4.742 40 0 EJABMO Fc1ccc(Cc2cnc([C@H]3CCC[N@H+]3Cc3ccccc3)o2)cc1 ZINC000257219049 244178879 /nfs/dbraw/zinc/17/88/79/244178879.db2.gz DFLABWWHQUPYRT-HXUWFJFHSA-N 1 1 336.410 4.742 40 0 EJABMO Cc1cccc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000072375101 203208933 /nfs/dbraw/zinc/20/89/33/203208933.db2.gz DKQYUHVMEFUZNT-FQEVSTJZSA-N 1 1 344.462 4.866 40 0 EJABMO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072358346 203204579 /nfs/dbraw/zinc/20/45/79/203204579.db2.gz QIOSPXZHLBMQEN-SFHVURJKSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000072358334 203204678 /nfs/dbraw/zinc/20/46/78/203204678.db2.gz MBUJQHPJSMHKPQ-MRXNPFEDSA-N 1 1 339.458 4.795 40 0 EJABMO Fc1ccccc1Cc1cnc([C@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000257247857 244261122 /nfs/dbraw/zinc/26/11/22/244261122.db2.gz JAWSAXZREWFQIP-INIZCTEOSA-N 1 1 328.431 4.527 40 0 EJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3Cc3ccccc3C)o2)s1 ZINC000072390175 203214135 /nfs/dbraw/zinc/21/41/35/203214135.db2.gz YCMIBMFMYFGMTQ-MRXNPFEDSA-N 1 1 339.464 4.752 40 0 EJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3Cc3ccccc3C)o2)s1 ZINC000072390175 203214139 /nfs/dbraw/zinc/21/41/39/203214139.db2.gz YCMIBMFMYFGMTQ-MRXNPFEDSA-N 1 1 339.464 4.752 40 0 EJABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(OC(C)C)cc2)on1 ZINC000019120276 212000925 /nfs/dbraw/zinc/00/09/25/212000925.db2.gz LXHREPMXNYPQRV-IBGZPJMESA-N 1 1 328.456 4.888 40 0 EJABMO Cc1nc(N2CCCCC2)ccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072219270 257686674 /nfs/dbraw/zinc/68/66/74/257686674.db2.gz XKUHDEMVKPZUNL-OAQYLSRUSA-N 1 1 335.495 4.717 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072214737 257689273 /nfs/dbraw/zinc/68/92/73/257689273.db2.gz ZNBJJIWFYLTJHO-KRWDZBQOSA-N 1 1 347.503 4.778 40 0 EJABMO COc1cc2c(cc1OCc1ccccc1)[C@@H](CC(C)C)[N@@H+](C)CC2 ZINC000003848587 563489428 /nfs/dbraw/zinc/48/94/28/563489428.db2.gz RZFYKKKRSXBCHL-HXUWFJFHSA-N 1 1 339.479 4.849 40 0 EJABMO O[C@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(-c2ccccc2)cc1 ZINC000004934839 563515562 /nfs/dbraw/zinc/51/55/62/563515562.db2.gz HYPJFDGAMUYUKL-SFYKDHMMSA-N 1 1 335.491 4.899 40 0 EJABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214403 563984775 /nfs/dbraw/zinc/98/47/75/563984775.db2.gz GGFXOXNCRGPDJF-INIZCTEOSA-N 1 1 333.476 4.756 40 0 EJABMO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072214917 563985038 /nfs/dbraw/zinc/98/50/38/563985038.db2.gz QOPSKDJFCUSBCP-QGZVFWFLSA-N 1 1 347.503 4.777 40 0 EJABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC)cn1 ZINC000072215100 563985105 /nfs/dbraw/zinc/98/51/05/563985105.db2.gz GZJHLFLPPACLTO-RDJZCZTQSA-N 1 1 347.503 4.778 40 0 EJABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC)cn1 ZINC000072215099 563985114 /nfs/dbraw/zinc/98/51/14/563985114.db2.gz GZJHLFLPPACLTO-WBVHZDCISA-N 1 1 347.503 4.778 40 0 EJABMO C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215456 563985268 /nfs/dbraw/zinc/98/52/68/563985268.db2.gz WGMWVMSCMGZMBR-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO Cc1[nH]c2ccc(F)cc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717125 564007114 /nfs/dbraw/zinc/00/71/14/564007114.db2.gz YOSGGYHRSTYGDH-BTYIYWSLSA-N 1 1 342.458 4.789 40 0 EJABMO CCc1cccc2cc3c(nc21)O[C@@H](C)C[N@H+](CCc1ccccc1)C3 ZINC000013563849 564020370 /nfs/dbraw/zinc/02/03/70/564020370.db2.gz WROVGMAVROOQPM-KRWDZBQOSA-N 1 1 346.474 4.623 40 0 EJABMO CCc1cccc2cc3c(nc21)O[C@@H](C)C[N@@H+](CCc1ccccc1)C3 ZINC000013563849 564020371 /nfs/dbraw/zinc/02/03/71/564020371.db2.gz WROVGMAVROOQPM-KRWDZBQOSA-N 1 1 346.474 4.623 40 0 EJABMO Cc1ccc(C(=O)CN(c2cc(C)ccc2C)C2=[NH+]CCCC2)cc1 ZINC000008411359 564035641 /nfs/dbraw/zinc/03/56/41/564035641.db2.gz IDMBPBFXKDMYEO-UHFFFAOYSA-N 1 1 334.463 4.884 40 0 EJABMO Cc1cccc(N(CC(=O)c2cccs2)C2=[NH+]CCCCC2)c1 ZINC000008414616 564035694 /nfs/dbraw/zinc/03/56/94/564035694.db2.gz NAOJFHQGGATXIM-UHFFFAOYSA-N 1 1 326.465 4.718 40 0 EJABMO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(C)[nH+]1)c1ccncc1 ZINC000000506044 564050147 /nfs/dbraw/zinc/05/01/47/564050147.db2.gz JYQCTUFIGLSXKN-NRFANRHFSA-N 1 1 328.419 4.776 40 0 EJABMO Fc1ccc(C[NH+](CCc2ccco2)Cc2ccc(F)s2)s1 ZINC000096100785 564066498 /nfs/dbraw/zinc/06/64/98/564066498.db2.gz LJCJSPPJEYBCDY-UHFFFAOYSA-N 1 1 339.432 4.926 40 0 EJABMO C[N@H+]1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000005599842 564078623 /nfs/dbraw/zinc/07/86/23/564078623.db2.gz UXIPFQUBOVWAQW-UEBLJOKOSA-N 1 1 348.490 4.755 40 0 investigational EJABMO 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 219187349 /nfs/dbraw/zinc/18/73/49/219187349.db2.gz KUFAUZJRIITNBN-KKFDQILXSA-N 1 1 333.560 4.758 40 0 EJABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2Cl)o1 ZINC000036740247 213115112 /nfs/dbraw/zinc/11/51/12/213115112.db2.gz JXBTZLXKUOZJRT-UHFFFAOYSA-N 1 1 343.858 4.530 40 0 EJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccccc2Cl)o1 ZINC000036740247 213115115 /nfs/dbraw/zinc/11/51/15/213115115.db2.gz JXBTZLXKUOZJRT-UHFFFAOYSA-N 1 1 343.858 4.530 40 0 EJABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 ZINC000035442904 213028682 /nfs/dbraw/zinc/02/86/82/213028682.db2.gz VPCYGSPTZYEMJT-ZDUSSCGKSA-N 1 1 330.790 4.610 40 0 biogenic,in-vitro EJABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4c[nH]c5ccccc45)C3)nc2c1 ZINC000035446492 213028279 /nfs/dbraw/zinc/02/82/79/213028279.db2.gz ZIGDIEQXWYMLFL-HNNXBMFYSA-N 1 1 331.419 4.607 40 0 biogenic,in-vitro EJABMO CC1=C[C@@H](C[NH3+])[C@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000072321033 216149182 /nfs/dbraw/zinc/14/91/82/216149182.db2.gz WVLVKNMSSHASOM-DZKIICNBSA-N 1 1 331.891 4.572 40 0 biogenic,in-vitro EJABMO Fc1ccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348798 216161199 /nfs/dbraw/zinc/16/11/99/216161199.db2.gz QHEXOTGYMFYMMP-LJQANCHMSA-N 1 1 347.437 4.662 40 0 EJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3ccccc3C)o2)s1 ZINC000072390176 216191410 /nfs/dbraw/zinc/19/14/10/216191410.db2.gz YCMIBMFMYFGMTQ-INIZCTEOSA-N 1 1 339.464 4.752 40 0 EJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3ccccc3C)o2)s1 ZINC000072390176 216191411 /nfs/dbraw/zinc/19/14/11/216191411.db2.gz YCMIBMFMYFGMTQ-INIZCTEOSA-N 1 1 339.464 4.752 40 0 EJABMO COc1ccc([C@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393730 216192639 /nfs/dbraw/zinc/19/26/39/216192639.db2.gz SRVDLGNPZROZRJ-HNNXBMFYSA-N 1 1 337.467 4.888 40 0 EJABMO Cc1cc(Nc2cc(Cl)ccc2Oc2ccccc2)nc(N)[nH+]1 ZINC000225842263 242059087 /nfs/dbraw/zinc/05/90/87/242059087.db2.gz QPTKCBBAJOSRSJ-UHFFFAOYSA-N 1 1 326.787 4.557 40 0 EJABMO Fc1ccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348922 203202911 /nfs/dbraw/zinc/20/29/11/203202911.db2.gz JMPAYXRZELBZDR-GOSISDBHSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)cc1F ZINC000019292995 212013105 /nfs/dbraw/zinc/01/31/05/212013105.db2.gz UDCANXMBCJNZEO-HNNXBMFYSA-N 1 1 336.432 4.556 40 0 EJABMO CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(Cl)c1)C2 ZINC000004886497 210311809 /nfs/dbraw/zinc/31/18/09/210311809.db2.gz CDFCWSJLRFSQNX-AYHJJNSGSA-N 1 1 349.906 4.503 40 0 EJABMO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072219209 257687585 /nfs/dbraw/zinc/68/75/85/257687585.db2.gz VFSXXYKZHIYWKT-NRFANRHFSA-N 1 1 335.495 4.717 40 0 EJABMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000000036361 563212115 /nfs/dbraw/zinc/21/21/15/563212115.db2.gz ZJHLPDLPHAUBCH-QGZVFWFLSA-N 1 1 338.451 4.682 40 0 EJABMO O[C@@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(-c2ccccc2)cc1 ZINC000001615838 563396738 /nfs/dbraw/zinc/39/67/38/563396738.db2.gz HYPJFDGAMUYUKL-YDHSSHFGSA-N 1 1 335.491 4.899 40 0 EJABMO CC[C@H](C)[N@@H+](CCNc1cc(OC)cc2cccnc21)CCC(C)C ZINC000005846375 563552134 /nfs/dbraw/zinc/55/21/34/563552134.db2.gz WZXGYORNSOXLGS-KRWDZBQOSA-N 1 1 343.515 4.802 40 0 EJABMO Brc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000008700484 563635705 /nfs/dbraw/zinc/63/57/05/563635705.db2.gz IXIPFXSBPXIFIC-UHFFFAOYSA-N 1 1 328.253 4.738 40 0 EJABMO COc1c(C)cccc1C[NH2+][C@H](Cc1cccs1)c1nccs1 ZINC000019236023 563855215 /nfs/dbraw/zinc/85/52/15/563855215.db2.gz IEQWUFKFQKOPMM-MRXNPFEDSA-N 1 1 344.505 4.595 40 0 EJABMO C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC[C@H]21 ZINC000095951563 563977857 /nfs/dbraw/zinc/97/78/57/563977857.db2.gz HDWOSECNHJMGIU-DKOYFPBOSA-N 1 1 333.475 4.975 40 0 biogenic EJABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214875 563985010 /nfs/dbraw/zinc/98/50/10/563985010.db2.gz AIEMKWAPIKSUDO-KRWDZBQOSA-N 1 1 347.503 4.778 40 0 EJABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072214858 563985019 /nfs/dbraw/zinc/98/50/19/563985019.db2.gz XTBLHYOCGLBWKN-KRWDZBQOSA-N 1 1 347.503 4.777 40 0 EJABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NC(C)(C)C)cc1OC ZINC000000320152 563996843 /nfs/dbraw/zinc/99/68/43/563996843.db2.gz KNGIDJLGKVEYQK-UHFFFAOYSA-N 1 1 339.439 4.537 40 0 EJABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2NCCc1ccccc1 ZINC000000413703 563997244 /nfs/dbraw/zinc/99/72/44/563997244.db2.gz DGNLKDKSIAIGEJ-UHFFFAOYSA-N 1 1 343.430 4.670 40 0 EJABMO Cc1c(C(=O)C[N@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc2n1C ZINC000002416893 564003777 /nfs/dbraw/zinc/00/37/77/564003777.db2.gz DWVYRXCRUOQLHN-OPAMFIHVSA-N 1 1 338.495 4.570 40 0 EJABMO Cc1ccccc1CC[N@@H+]1CCOc2nc3c(ccc(C)c3C)cc2C1 ZINC000013563784 564020312 /nfs/dbraw/zinc/02/03/12/564020312.db2.gz SFAXZUYOPBKMOR-UHFFFAOYSA-N 1 1 346.474 4.597 40 0 EJABMO Cc1ccccc1CC[N@H+]1CCOc2nc3c(ccc(C)c3C)cc2C1 ZINC000013563784 564020313 /nfs/dbraw/zinc/02/03/13/564020313.db2.gz SFAXZUYOPBKMOR-UHFFFAOYSA-N 1 1 346.474 4.597 40 0 EJABMO Cc1ccc(CC[N@@H+]2CCOc3nc4c(ccc(C)c4C)cc3C2)cc1 ZINC000013563789 564020315 /nfs/dbraw/zinc/02/03/15/564020315.db2.gz IRHABWMWYVEMAP-UHFFFAOYSA-N 1 1 346.474 4.597 40 0 EJABMO Cc1ccc(CC[N@H+]2CCOc3nc4c(ccc(C)c4C)cc3C2)cc1 ZINC000013563789 564020316 /nfs/dbraw/zinc/02/03/16/564020316.db2.gz IRHABWMWYVEMAP-UHFFFAOYSA-N 1 1 346.474 4.597 40 0 EJABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4s3)C2)cc1F ZINC000049168927 564032522 /nfs/dbraw/zinc/03/25/22/564032522.db2.gz IBVMDDUGZXRUNZ-ZDUSSCGKSA-N 1 1 330.403 4.564 40 0 biogenic,in-vitro EJABMO C[NH2+]CCCNc1cc(C)nc2c(Sc3ccccc3)cccc12 ZINC000222692590 564037474 /nfs/dbraw/zinc/03/74/74/564037474.db2.gz YFUJJPLFWMDSFF-UHFFFAOYSA-N 1 1 337.492 4.716 40 0 EJABMO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000257281566 564054640 /nfs/dbraw/zinc/05/46/40/564054640.db2.gz OPWIUZLVAZGWTA-QGZVFWFLSA-N 1 1 339.458 4.795 40 0 EJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C(C)C)n1 ZINC000328979563 564071186 /nfs/dbraw/zinc/07/11/86/564071186.db2.gz GGDWQVXOSKPXSW-HOTGVXAUSA-N 1 1 338.499 4.762 40 0 EJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000329013071 564071498 /nfs/dbraw/zinc/07/14/98/564071498.db2.gz MNPRIGLDGJEKEN-LSDHHAIUSA-N 1 1 336.483 4.516 40 0 EJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C2CC2)n1 ZINC000329013071 564071499 /nfs/dbraw/zinc/07/14/99/564071499.db2.gz MNPRIGLDGJEKEN-LSDHHAIUSA-N 1 1 336.483 4.516 40 0 EJABMO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020458567 564128220 /nfs/dbraw/zinc/12/82/20/564128220.db2.gz VOQPZMDYLYAFEW-ROUUACIJSA-N 1 1 348.490 4.510 40 0 EJABMO COc1ccccc1C[NH2+][C@@H](Cc1ccsc1)c1nc(C)cs1 ZINC000019240251 202001649 /nfs/dbraw/zinc/00/16/49/202001649.db2.gz CONNAYNUILHUPI-INIZCTEOSA-N 1 1 344.505 4.595 40 0 EJABMO Cc1csc([C@H](Cc2ccsc2)[NH2+]Cc2ccc(F)cc2)n1 ZINC000019240228 202001699 /nfs/dbraw/zinc/00/16/99/202001699.db2.gz NWYPATMIRKSNMQ-INIZCTEOSA-N 1 1 332.469 4.726 40 0 EJABMO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC000019345197 202005367 /nfs/dbraw/zinc/00/53/67/202005367.db2.gz KWOGBUGUEBNTRS-AYOQOUSVSA-N 1 1 339.483 4.569 40 0 EJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)C1 ZINC000038852451 213228603 /nfs/dbraw/zinc/22/86/03/213228603.db2.gz VIILUWIYFLULNF-SFHVURJKSA-N 1 1 340.511 4.539 40 0 EJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000038833904 213228592 /nfs/dbraw/zinc/22/85/92/213228592.db2.gz DPVFELTWCQXKCW-HNNXBMFYSA-N 1 1 342.870 4.824 40 0 EJABMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000020493043 202046042 /nfs/dbraw/zinc/04/60/42/202046042.db2.gz MHPARQMMZMRWSC-MRXNPFEDSA-N 1 1 336.479 4.788 40 0 EJABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000035446668 213029481 /nfs/dbraw/zinc/02/94/81/213029481.db2.gz FHQVWSTYEFISFQ-AWEZNQCLSA-N 1 1 345.368 4.571 40 0 biogenic,in-vitro EJABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000035446668 213029485 /nfs/dbraw/zinc/02/94/85/213029485.db2.gz FHQVWSTYEFISFQ-AWEZNQCLSA-N 1 1 345.368 4.571 40 0 biogenic,in-vitro EJABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000035446668 213029487 /nfs/dbraw/zinc/02/94/87/213029487.db2.gz FHQVWSTYEFISFQ-AWEZNQCLSA-N 1 1 345.368 4.571 40 0 biogenic,in-vitro EJABMO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348797 216160022 /nfs/dbraw/zinc/16/00/22/216160022.db2.gz GYUNEUBTDDNWIM-NRFANRHFSA-N 1 1 343.474 4.832 40 0 EJABMO Fc1cccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)c1 ZINC000072357714 216163543 /nfs/dbraw/zinc/16/35/43/216163543.db2.gz GOFVYUKYNZEFJY-QFIPXVFZSA-N 1 1 347.437 4.544 40 0 EJABMO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379136 203210927 /nfs/dbraw/zinc/21/09/27/203210927.db2.gz HHONOEALTFJAFN-QGZVFWFLSA-N 1 1 338.499 4.513 40 0 EJABMO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072358349 203205291 /nfs/dbraw/zinc/20/52/91/203205291.db2.gz HLQZGTYIAFFION-LJQANCHMSA-N 1 1 347.437 4.662 40 0 EJABMO Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1nnc(-c2cccs2)o1 ZINC000072390136 203213915 /nfs/dbraw/zinc/21/39/15/203213915.db2.gz BBFOLYMOUXBHQV-INIZCTEOSA-N 1 1 339.464 4.834 40 0 EJABMO Cc1ccccc1C[N@H+]1CCCC[C@H]1c1nnc(-c2cccs2)o1 ZINC000072390136 203213919 /nfs/dbraw/zinc/21/39/19/203213919.db2.gz BBFOLYMOUXBHQV-INIZCTEOSA-N 1 1 339.464 4.834 40 0 EJABMO COc1cc(C)c(C[N@H+]2CCCCC[C@@H]2c2cc(C)no2)cc1C ZINC000019567352 212044012 /nfs/dbraw/zinc/04/40/12/212044012.db2.gz GHRJEOOPWOUHFX-GOSISDBHSA-N 1 1 328.456 4.726 40 0 EJABMO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2ccccc2F)n1 ZINC000019240102 212009265 /nfs/dbraw/zinc/00/92/65/212009265.db2.gz DOSGJZOIMJVRPZ-MRXNPFEDSA-N 1 1 332.469 4.726 40 0 EJABMO COc1ccccc1C[NH2+][C@H](Cc1ccsc1)c1nc(C)cs1 ZINC000019240252 212009396 /nfs/dbraw/zinc/00/93/96/212009396.db2.gz CONNAYNUILHUPI-MRXNPFEDSA-N 1 1 344.505 4.595 40 0 EJABMO COc1ccccc1C[NH2+][C@@H](Cc1cccs1)c1nc(C)cs1 ZINC000019240104 212009213 /nfs/dbraw/zinc/00/92/13/212009213.db2.gz WVXWLZZFNWPMTB-INIZCTEOSA-N 1 1 344.505 4.595 40 0 EJABMO Cc1ccsc1C[N@@H+](CCCO)Cc1oc2ccc(C)cc2c1C ZINC000012291856 211335611 /nfs/dbraw/zinc/33/56/11/211335611.db2.gz RGVVZAFOLIBKSI-UHFFFAOYSA-N 1 1 343.492 4.804 40 0 EJABMO C[C@H](C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000012129027 211299935 /nfs/dbraw/zinc/29/99/35/211299935.db2.gz DOQOMEKCWYPGBU-TYCQWZJGSA-N 1 1 349.453 4.536 40 0 EJABMO COc1cc2c(cc1OCc1ccccc1)[C@H](CC(C)C)[N@@H+](C)CC2 ZINC000003848589 563489451 /nfs/dbraw/zinc/48/94/51/563489451.db2.gz RZFYKKKRSXBCHL-FQEVSTJZSA-N 1 1 339.479 4.849 40 0 EJABMO CN(CCC1CCCCC1)C(=O)CC[N@@H+](C)CCC1CCCCC1 ZINC000005049584 563519803 /nfs/dbraw/zinc/51/98/03/563519803.db2.gz WRMXSAUKFBVHEX-UHFFFAOYSA-N 1 1 336.564 4.708 40 0 EJABMO CCCC[N@@H+](CCNc1cc(OC)cc2cccnc21)C[C@@H](C)CC ZINC000005837922 563551709 /nfs/dbraw/zinc/55/17/09/563551709.db2.gz NQFXOYSWSKBKDZ-KRWDZBQOSA-N 1 1 343.515 4.804 40 0 EJABMO CCCCC[N@@H+](CCNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000005837646 563551822 /nfs/dbraw/zinc/55/18/22/563551822.db2.gz SXUGOGFHPFVIOF-KRWDZBQOSA-N 1 1 343.515 4.946 40 0 EJABMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000006870040 563589878 /nfs/dbraw/zinc/58/98/78/563589878.db2.gz QPQXVYOMFUYBMY-UHFFFAOYSA-N 1 1 328.419 4.828 40 0 EJABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccc(OC(C)C)cc2)no1 ZINC000012185865 563655426 /nfs/dbraw/zinc/65/54/26/563655426.db2.gz UMIBMNGHZGZTPU-FQEVSTJZSA-N 1 1 328.456 4.888 40 0 EJABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(OC(C)C)cc2)no1 ZINC000012185865 563655427 /nfs/dbraw/zinc/65/54/27/563655427.db2.gz UMIBMNGHZGZTPU-FQEVSTJZSA-N 1 1 328.456 4.888 40 0 EJABMO CC(C)(Cc1ccccc1)[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000014982447 563770447 /nfs/dbraw/zinc/77/04/47/563770447.db2.gz WVZRWNPPXYLQBI-LJQANCHMSA-N 1 1 329.871 4.735 40 0 EJABMO Cc1cc(C)cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038833562 563922209 /nfs/dbraw/zinc/92/22/09/563922209.db2.gz OALNMMPQVXIGTI-INIZCTEOSA-N 1 1 336.479 4.788 40 0 EJABMO C[N@H+]1CCC[C@@H](COc2ccccc2Oc2cccc(Cl)c2)C1 ZINC000585266247 563981145 /nfs/dbraw/zinc/98/11/45/563981145.db2.gz XSNVOEVYVIXECG-OAHLLOKOSA-N 1 1 331.843 4.853 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CC ZINC000072214754 563984902 /nfs/dbraw/zinc/98/49/02/563984902.db2.gz SMSLOWVPRXZMIS-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072214802 563984945 /nfs/dbraw/zinc/98/49/45/563984945.db2.gz NYWBWKJZSPNJBV-QGZVFWFLSA-N 1 1 347.503 4.636 40 0 EJABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215399 563985231 /nfs/dbraw/zinc/98/52/31/563985231.db2.gz NKWNZQUYHVLBLQ-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072215256 563985247 /nfs/dbraw/zinc/98/52/47/563985247.db2.gz AYUZVIXLECWNNY-DOTOQJQBSA-N 1 1 347.503 4.778 40 0 EJABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)(C)C)cc1O ZINC000000411928 563997067 /nfs/dbraw/zinc/99/70/67/563997067.db2.gz OWRGSIOYQXTIMR-UHFFFAOYSA-N 1 1 345.830 4.579 40 0 EJABMO Fc1cccc(C[N@H+](CCc2ccccc2)Cc2ccncc2)c1F ZINC000013990170 564020772 /nfs/dbraw/zinc/02/07/72/564020772.db2.gz CVKYQLQFIGASIU-UHFFFAOYSA-N 1 1 338.401 4.605 40 0 EJABMO Fc1cccc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)c1F ZINC000013990170 564020773 /nfs/dbraw/zinc/02/07/73/564020773.db2.gz CVKYQLQFIGASIU-UHFFFAOYSA-N 1 1 338.401 4.605 40 0 EJABMO Cc1ccc(C)c(N(CC(=O)c2ccc(F)cc2)C2=[NH+]CCCC2)c1 ZINC000008410747 564035611 /nfs/dbraw/zinc/03/56/11/564035611.db2.gz CBXDCGNJPCLTGZ-UHFFFAOYSA-N 1 1 338.426 4.714 40 0 EJABMO CC1=C[C@@H](C)[C@H](C[NH2+]CCNC[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@@H](C)C1 ZINC000034378053 564038805 /nfs/dbraw/zinc/03/88/05/564038805.db2.gz XPPZSKFTXPXUHK-ZCPXKWAGSA-N 1 1 332.576 4.642 40 0 EJABMO CC1=C[C@@H](C)[C@H](CNCC[NH2+]C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@@H](C)C1 ZINC000034378053 564038806 /nfs/dbraw/zinc/03/88/06/564038806.db2.gz XPPZSKFTXPXUHK-ZCPXKWAGSA-N 1 1 332.576 4.642 40 0 EJABMO CCCC[C@@H](CC)CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000224333312 564042421 /nfs/dbraw/zinc/04/24/21/564042421.db2.gz YVWUSEMEMDCNFC-RTBURBONSA-N 1 1 344.543 4.865 40 0 EJABMO CCCC[C@H](CC)CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260853479 564052695 /nfs/dbraw/zinc/05/26/95/564052695.db2.gz YVWUSEMEMDCNFC-OALUTQOASA-N 1 1 344.543 4.865 40 0 EJABMO CC(C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C(C)C)n1 ZINC000328965262 564071008 /nfs/dbraw/zinc/07/10/08/564071008.db2.gz CCBGOCHOKOSSQL-UHFFFAOYSA-N 1 1 338.499 4.762 40 0 EJABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000329013070 564071512 /nfs/dbraw/zinc/07/15/12/564071512.db2.gz MNPRIGLDGJEKEN-HUUCEWRRSA-N 1 1 336.483 4.516 40 0 EJABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C2CC2)n1 ZINC000329013070 564071513 /nfs/dbraw/zinc/07/15/13/564071513.db2.gz MNPRIGLDGJEKEN-HUUCEWRRSA-N 1 1 336.483 4.516 40 0 EJABMO CC1(C)CN(c2cc[nH+]c(NC3CCCCC3)n2)Cc2ccccc21 ZINC000329071937 564072193 /nfs/dbraw/zinc/07/21/93/564072193.db2.gz ZTVRQLOUWCKXAL-UHFFFAOYSA-N 1 1 336.483 4.519 40 0 EJABMO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC000019345167 564127946 /nfs/dbraw/zinc/12/79/46/564127946.db2.gz KWOGBUGUEBNTRS-IPELMVKDSA-N 1 1 339.483 4.569 40 0 EJABMO Cn1cccc1C[N@@H+]1CCCCC[C@H]1c1cc(-c2cccs2)on1 ZINC000019291137 202002149 /nfs/dbraw/zinc/00/21/49/202002149.db2.gz CPSYBAJXZOCCGH-KRWDZBQOSA-N 1 1 341.480 4.859 40 0 EJABMO Cn1cccc1C[N@H+]1CCCCC[C@H]1c1cc(-c2cccs2)on1 ZINC000019291137 202002152 /nfs/dbraw/zinc/00/21/52/202002152.db2.gz CPSYBAJXZOCCGH-KRWDZBQOSA-N 1 1 341.480 4.859 40 0 EJABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1F ZINC000035442902 213028837 /nfs/dbraw/zinc/02/88/37/213028837.db2.gz QDBLVVLBBSTXTI-LBPRGKRZSA-N 1 1 348.780 4.749 40 0 biogenic,in-vitro EJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccc(Cl)c2)o1 ZINC000036740248 202330157 /nfs/dbraw/zinc/33/01/57/202330157.db2.gz WRAQPMSZJJAIAW-UHFFFAOYSA-N 1 1 343.858 4.530 40 0 EJABMO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348832 216160351 /nfs/dbraw/zinc/16/03/51/216160351.db2.gz BGPKMWCMFXEWDE-OAQYLSRUSA-N 1 1 343.474 4.832 40 0 EJABMO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348919 216160580 /nfs/dbraw/zinc/16/05/80/216160580.db2.gz QEGMCYJDJOFWRO-HXUWFJFHSA-N 1 1 343.474 4.832 40 0 EJABMO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348833 216160593 /nfs/dbraw/zinc/16/05/93/216160593.db2.gz BGPKMWCMFXEWDE-NRFANRHFSA-N 1 1 343.474 4.832 40 0 EJABMO Fc1ccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348799 216161094 /nfs/dbraw/zinc/16/10/94/216161094.db2.gz QHEXOTGYMFYMMP-IBGZPJMESA-N 1 1 347.437 4.662 40 0 EJABMO Cc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375264 216179210 /nfs/dbraw/zinc/17/92/10/216179210.db2.gz RTRCDARWIGPSMD-FQEVSTJZSA-N 1 1 344.462 4.866 40 0 EJABMO Cc1cccc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000072375102 216178106 /nfs/dbraw/zinc/17/81/06/216178106.db2.gz DKQYUHVMEFUZNT-HXUWFJFHSA-N 1 1 344.462 4.866 40 0 EJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3cccc(C)c3)o2)s1 ZINC000072390178 216191442 /nfs/dbraw/zinc/19/14/42/216191442.db2.gz BCJDKWUPLBZAFL-INIZCTEOSA-N 1 1 339.464 4.752 40 0 EJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3cccc(C)c3)o2)s1 ZINC000072390178 216191444 /nfs/dbraw/zinc/19/14/44/216191444.db2.gz BCJDKWUPLBZAFL-INIZCTEOSA-N 1 1 339.464 4.752 40 0 EJABMO c1cc(-c2nnc([C@H]3CCCC[N@@H+]3CCc3ccccc3)o2)cs1 ZINC000072390149 216191434 /nfs/dbraw/zinc/19/14/34/216191434.db2.gz NZHBGUWUPSHCME-QGZVFWFLSA-N 1 1 339.464 4.568 40 0 EJABMO CCN(CC)CC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000022076575 212276869 /nfs/dbraw/zinc/27/68/69/212276869.db2.gz PIJSEOQOFKZVDY-UHFFFAOYSA-N 1 1 341.282 4.685 40 0 EJABMO CC(C)[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358409 203204845 /nfs/dbraw/zinc/20/48/45/203204845.db2.gz XWOWUMJXYSIURX-OAHLLOKOSA-N 1 1 349.400 4.750 40 0 EJABMO C[C@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1[C@H]1CCCO1)c1ccccc1 ZINC000019455979 212029562 /nfs/dbraw/zinc/02/95/62/212029562.db2.gz ISYWFVNUMGRPOM-OXQOHEQNSA-N 1 1 349.478 4.650 40 0 EJABMO c1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000019366319 212023046 /nfs/dbraw/zinc/02/30/46/212023046.db2.gz GENVHINXIOAJEH-DEOSSOPVSA-N 1 1 342.486 4.746 40 0 EJABMO c1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000019366319 212023048 /nfs/dbraw/zinc/02/30/48/212023048.db2.gz GENVHINXIOAJEH-DEOSSOPVSA-N 1 1 342.486 4.746 40 0 EJABMO c1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000019366319 212023051 /nfs/dbraw/zinc/02/30/51/212023051.db2.gz GENVHINXIOAJEH-DEOSSOPVSA-N 1 1 342.486 4.746 40 0 EJABMO c1csc(-c2nnc([C@H]3CCC[N@H+](CC4CCCCC4)C3)o2)c1 ZINC000019344823 212019994 /nfs/dbraw/zinc/01/99/94/212019994.db2.gz DPGSXLXMBULXNK-HNNXBMFYSA-N 1 1 331.485 4.558 40 0 EJABMO CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC[N@@H+](C)C1 ZINC000004976718 210346388 /nfs/dbraw/zinc/34/63/88/210346388.db2.gz CXLQUCPRQKBNSP-UHFFFAOYSA-N 1 1 329.484 4.775 40 0 in-vivo EJABMO Cc1ccc([C@@](O)(CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934793 210328593 /nfs/dbraw/zinc/32/85/93/210328593.db2.gz BXLMOHLIEPHHHR-AWRGLXIESA-N 1 1 349.518 4.743 40 0 EJABMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004897848 210315741 /nfs/dbraw/zinc/31/57/41/210315741.db2.gz WPSGCUBUKCRVEC-KSZLIROESA-N 1 1 336.479 4.659 40 0 EJABMO 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 210274211 /nfs/dbraw/zinc/27/42/11/210274211.db2.gz KUFAUZJRIITNBN-BTOHRNCKSA-N 1 1 333.560 4.758 40 0 EJABMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000000036360 563212063 /nfs/dbraw/zinc/21/20/63/563212063.db2.gz ZJHLPDLPHAUBCH-KRWDZBQOSA-N 1 1 338.451 4.682 40 0 EJABMO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834043 563922155 /nfs/dbraw/zinc/92/21/55/563922155.db2.gz BXBNAPKSDUQTKH-FQEVSTJZSA-N 1 1 344.458 4.691 40 0 EJABMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038833691 563922157 /nfs/dbraw/zinc/92/21/57/563922157.db2.gz ADLWNTZVQMQLTH-HXUWFJFHSA-N 1 1 336.479 4.661 40 0 EJABMO Cc1ccc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)s1 ZINC000096061589 563978972 /nfs/dbraw/zinc/97/89/72/563978972.db2.gz UWTKDBOLKZLHBR-LEWJYISDSA-N 1 1 341.520 4.669 40 0 EJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214343 563984750 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CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072214918 563985032 /nfs/dbraw/zinc/98/50/32/563985032.db2.gz QOPSKDJFCUSBCP-KRWDZBQOSA-N 1 1 347.503 4.777 40 0 EJABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CC ZINC000072215214 563985120 /nfs/dbraw/zinc/98/51/20/563985120.db2.gz QMLMGOLARUOWJV-DOTOQJQBSA-N 1 1 347.503 4.778 40 0 EJABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072215144 563985137 /nfs/dbraw/zinc/98/51/37/563985137.db2.gz GLJXFSGZGBTCQP-DOTOQJQBSA-N 1 1 347.503 4.778 40 0 EJABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216069 563985524 /nfs/dbraw/zinc/98/55/24/563985524.db2.gz LMKHHBZXGSURIQ-NRFANRHFSA-N 1 1 335.495 4.799 40 0 EJABMO Cc1cccc2[nH+]c(-c3ccc(N(C)C)cc3)c(NC3CCCC3)n21 ZINC000000417911 563997312 /nfs/dbraw/zinc/99/73/12/563997312.db2.gz HQSXIIGYKUGBDB-UHFFFAOYSA-N 1 1 334.467 4.730 40 0 EJABMO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1 ZINC000007540859 564015606 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CC1=C[C@H](C)[C@H](CNCC[NH2+]C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@H](C)C1 ZINC000038583340 213216091 /nfs/dbraw/zinc/21/60/91/213216091.db2.gz XPPZSKFTXPXUHK-NALHQMNBSA-N 1 1 332.576 4.642 40 0 EJABMO Cc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357675 216164909 /nfs/dbraw/zinc/16/49/09/216164909.db2.gz UPVLEXGNBMIXTI-QHCPKHFHSA-N 1 1 343.474 4.713 40 0 EJABMO C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072348589 216160375 /nfs/dbraw/zinc/16/03/75/216160375.db2.gz BMIVVMOFVFPHCS-HNNXBMFYSA-N 1 1 334.385 4.500 40 0 EJABMO Fc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072357710 216164715 /nfs/dbraw/zinc/16/47/15/216164715.db2.gz PNMQPANAEKTVKD-JOCHJYFZSA-N 1 1 347.437 4.544 40 0 EJABMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000020459918 212133760 /nfs/dbraw/zinc/13/37/60/212133760.db2.gz BIAQYCQLDSHWRM-QGZVFWFLSA-N 1 1 336.479 4.788 40 0 EJABMO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072348533 203203018 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ZINC000001656155 563399952 /nfs/dbraw/zinc/39/99/52/563399952.db2.gz FZHODTWZTQRCOB-UHFFFAOYSA-N 1 1 341.499 4.700 40 0 EJABMO 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 563510825 /nfs/dbraw/zinc/51/08/25/563510825.db2.gz KUFAUZJRIITNBN-BPIQYHPVSA-N 1 1 333.560 4.758 40 0 EJABMO COc1cc2cccnc2c(NCC[N@@H+](CC(C)C)[C@@H](C)C(C)C)c1 ZINC000005834711 563551830 /nfs/dbraw/zinc/55/18/30/563551830.db2.gz QOFYEMDBVKFVBT-KRWDZBQOSA-N 1 1 343.515 4.658 40 0 EJABMO Cc1sc2ccccc2c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000096305882 563980692 /nfs/dbraw/zinc/98/06/92/563980692.db2.gz NUELMXAUZJZVEL-UHFFFAOYSA-N 1 1 336.504 4.528 40 0 EJABMO Cc1ccc(Oc2ccc(F)cc2OCC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000585266160 563981163 /nfs/dbraw/zinc/98/11/63/563981163.db2.gz BSDPBUMLOKKVSS-KRWDZBQOSA-N 1 1 329.415 4.790 40 0 EJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214340 563984653 /nfs/dbraw/zinc/98/46/53/563984653.db2.gz YDMLKMFGJDTJEX-MRXNPFEDSA-N 1 1 333.476 4.612 40 0 EJABMO CC[N@H+]1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214549 563984811 /nfs/dbraw/zinc/98/48/11/563984811.db2.gz IUZIZWWQZXXVEM-QGZVFWFLSA-N 1 1 347.503 4.636 40 0 EJABMO CC[N@H+]1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214550 563984859 /nfs/dbraw/zinc/98/48/59/563984859.db2.gz IUZIZWWQZXXVEM-KRWDZBQOSA-N 1 1 347.503 4.636 40 0 EJABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214623 563984867 /nfs/dbraw/zinc/98/48/67/563984867.db2.gz YXTRARIHYWFJCB-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CCC)cn1 ZINC000072214679 563984952 /nfs/dbraw/zinc/98/49/52/563984952.db2.gz FDHSGONMUSRFER-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215434 563985303 /nfs/dbraw/zinc/98/53/03/563985303.db2.gz OMIWARQJOVQPLL-KRWDZBQOSA-N 1 1 345.487 4.532 40 0 EJABMO Cc1ccc2[nH+]c(-c3ccc(Cl)cc3)c(NC[C@@H]3CCCO3)n2c1 ZINC000000417512 563997071 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CC(C)c1nc(NC2CC2)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329063794 564072058 /nfs/dbraw/zinc/07/20/58/564072058.db2.gz XFDQDDBAODAMFW-UHFFFAOYSA-N 1 1 336.483 4.516 40 0 EJABMO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC000019345173 202006404 /nfs/dbraw/zinc/00/64/04/202006404.db2.gz KWOGBUGUEBNTRS-MNEFBYGVSA-N 1 1 339.483 4.569 40 0 EJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000038833903 213228012 /nfs/dbraw/zinc/22/80/12/213228012.db2.gz DPVFELTWCQXKCW-OAHLLOKOSA-N 1 1 342.870 4.824 40 0 EJABMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000020459919 202044614 /nfs/dbraw/zinc/04/46/14/202044614.db2.gz BIAQYCQLDSHWRM-KRWDZBQOSA-N 1 1 336.479 4.788 40 0 EJABMO CN(C)c1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)(C)C)cc1 ZINC000000320237 209535385 /nfs/dbraw/zinc/53/53/85/209535385.db2.gz ASMVXAHGBQKVQA-UHFFFAOYSA-N 1 1 342.874 4.931 40 0 EJABMO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072357677 216164834 /nfs/dbraw/zinc/16/48/34/216164834.db2.gz ZGFRJZOABJARIB-QFIPXVFZSA-N 1 1 347.437 4.544 40 0 EJABMO Fc1ccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000072358333 216166195 /nfs/dbraw/zinc/16/61/95/216166195.db2.gz WARDIGCXGGAHAL-KRWDZBQOSA-N 1 1 339.458 4.795 40 0 EJABMO Fc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072348923 216160099 /nfs/dbraw/zinc/16/00/99/216160099.db2.gz DNJDHSPBBJZVRY-QGZVFWFLSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1ccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348834 216160656 /nfs/dbraw/zinc/16/06/56/216160656.db2.gz YMOCWUUGHXYCNJ-LJQANCHMSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1ccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348921 216161101 /nfs/dbraw/zinc/16/11/01/216161101.db2.gz JMPAYXRZELBZDR-SFHVURJKSA-N 1 1 347.437 4.662 40 0 EJABMO Fc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000072357667 216163485 /nfs/dbraw/zinc/16/34/85/216163485.db2.gz IKUXFRYUDGFTKI-QFIPXVFZSA-N 1 1 347.437 4.544 40 0 EJABMO Fc1cccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)c1 ZINC000072357670 216163576 /nfs/dbraw/zinc/16/35/76/216163576.db2.gz QSVDZCPLUKSPIP-JOCHJYFZSA-N 1 1 347.437 4.544 40 0 EJABMO Fc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348839 203203340 /nfs/dbraw/zinc/20/33/40/203203340.db2.gz CLCDALOQQUCTTF-IBGZPJMESA-N 1 1 347.437 4.662 40 0 EJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1 ZINC000020110774 212102269 /nfs/dbraw/zinc/10/22/69/212102269.db2.gz GBRHKKAGLPJOOB-HNNXBMFYSA-N 1 1 342.870 4.824 40 0 EJABMO c1csc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)c1 ZINC000019343499 212018178 /nfs/dbraw/zinc/01/81/78/212018178.db2.gz WJEYTKMKEKGPJL-AWEZNQCLSA-N 1 1 331.466 4.587 40 0 EJABMO c1csc(C[N@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)c1 ZINC000019343499 212018179 /nfs/dbraw/zinc/01/81/79/212018179.db2.gz WJEYTKMKEKGPJL-AWEZNQCLSA-N 1 1 331.466 4.587 40 0 EJABMO c1csc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)c1 ZINC000019343496 212018050 /nfs/dbraw/zinc/01/80/50/212018050.db2.gz WJEYTKMKEKGPJL-CQSZACIVSA-N 1 1 331.466 4.587 40 0 EJABMO c1csc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)c1 ZINC000019343496 212018053 /nfs/dbraw/zinc/01/80/53/212018053.db2.gz WJEYTKMKEKGPJL-CQSZACIVSA-N 1 1 331.466 4.587 40 0 EJABMO COc1cccc(C[NH2+][C@@H](Cc2cccs2)c2nc(C)cs2)c1 ZINC000019240093 212008128 /nfs/dbraw/zinc/00/81/28/212008128.db2.gz ZYGREHFZUWFWEJ-KRWDZBQOSA-N 1 1 344.505 4.595 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CCC)cn1 ZINC000072214680 257688574 /nfs/dbraw/zinc/68/85/74/257688574.db2.gz FDHSGONMUSRFER-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO C[N@H+]1CCC[C@@H]1CCOc1ccccc1Oc1ccc(Cl)cc1 ZINC000257204968 536371102 /nfs/dbraw/zinc/37/11/02/536371102.db2.gz AXBOCMUOFVYRHJ-MRXNPFEDSA-N 1 1 331.843 4.995 40 0 EJABMO CCCC[N@@H+](CCNc1cc(OC)cc2cccnc21)[C@H](C)CC ZINC000001656150 563399539 /nfs/dbraw/zinc/39/95/39/563399539.db2.gz HQNULEHJYXEBBF-MRXNPFEDSA-N 1 1 329.488 4.556 40 0 EJABMO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834044 563922173 /nfs/dbraw/zinc/92/21/73/563922173.db2.gz BXBNAPKSDUQTKH-HXUWFJFHSA-N 1 1 344.458 4.691 40 0 EJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3CC3CCCCC3)o2)s1 ZINC000060016742 563949507 /nfs/dbraw/zinc/94/95/07/563949507.db2.gz SOLCJGSERISRDY-OAHLLOKOSA-N 1 1 331.485 4.824 40 0 EJABMO Cc1ccc(CN2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)s1 ZINC000096058321 563978791 /nfs/dbraw/zinc/97/87/91/563978791.db2.gz DYJOFEXQQHVOEM-ACRUOGEOSA-N 1 1 340.536 4.667 40 0 EJABMO Cc1ccc(CN2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)s1 ZINC000096058321 563978792 /nfs/dbraw/zinc/97/87/92/563978792.db2.gz DYJOFEXQQHVOEM-ACRUOGEOSA-N 1 1 340.536 4.667 40 0 EJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214520 563984802 /nfs/dbraw/zinc/98/48/02/563984802.db2.gz SAKHFMDNNNNMFC-QGZVFWFLSA-N 1 1 347.503 4.636 40 0 EJABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214636 563984818 /nfs/dbraw/zinc/98/48/18/563984818.db2.gz YIXMVAVUFBXGSD-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC000072214695 563984909 /nfs/dbraw/zinc/98/49/09/563984909.db2.gz NVGHZYPQVGZKLW-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CCC ZINC000072214739 563984916 /nfs/dbraw/zinc/98/49/16/563984916.db2.gz NWJDHXBKHNSPHD-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072214992 563985071 /nfs/dbraw/zinc/98/50/71/563985071.db2.gz MZFKOPJPRLRJJT-KRWDZBQOSA-N 1 1 347.503 4.780 40 0 EJABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072215255 563985250 /nfs/dbraw/zinc/98/52/50/563985250.db2.gz AYUZVIXLECWNNY-NVXWUHKLSA-N 1 1 347.503 4.778 40 0 EJABMO C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215548 563985294 /nfs/dbraw/zinc/98/52/94/563985294.db2.gz HGRQBAFJBFWAEJ-QGZVFWFLSA-N 1 1 345.487 4.532 40 0 EJABMO Cc1nc(N2CCCC2)ccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218946 563985755 /nfs/dbraw/zinc/98/57/55/563985755.db2.gz BZCWEIFEUZEXTL-NRFANRHFSA-N 1 1 335.495 4.717 40 0 EJABMO Cc1cccc2[nH+]c(-c3ccc(Cl)cc3)c(NC[C@H]3CCCO3)n21 ZINC000000417397 563997127 /nfs/dbraw/zinc/99/71/27/563997127.db2.gz WGHJJQQBBMPQOW-MRXNPFEDSA-N 1 1 341.842 4.554 40 0 EJABMO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260449449 563999649 /nfs/dbraw/zinc/99/96/49/563999649.db2.gz VOQPZMDYLYAFEW-ZWKOTPCHSA-N 1 1 348.490 4.510 40 0 EJABMO CCn1cc(C[N@@H+](CCc2ccccc2)Cc2cccs2)c(C)n1 ZINC000013997255 564020875 /nfs/dbraw/zinc/02/08/75/564020875.db2.gz NAOZJODITHVIHF-UHFFFAOYSA-N 1 1 339.508 4.518 40 0 EJABMO Fc1ccc(C2=CC[N@@H+](Cc3c4cccnc4[nH]c3C3CC3)CC2)cc1 ZINC000057761909 564035275 /nfs/dbraw/zinc/03/52/75/564035275.db2.gz OZXRTPBDOCVQKK-UHFFFAOYSA-N 1 1 347.437 4.869 40 0 EJABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000329013068 564071492 /nfs/dbraw/zinc/07/14/92/564071492.db2.gz MNPRIGLDGJEKEN-CABCVRRESA-N 1 1 336.483 4.516 40 0 EJABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C2CC2)n1 ZINC000329013068 564071493 /nfs/dbraw/zinc/07/14/93/564071493.db2.gz MNPRIGLDGJEKEN-CABCVRRESA-N 1 1 336.483 4.516 40 0 EJABMO COc1ccccc1C[NH2+]Cc1cc2c(C)cc(C)cc2nc1Cl ZINC000013535435 564074263 /nfs/dbraw/zinc/07/42/63/564074263.db2.gz MXGNYYLMLUGTAO-UHFFFAOYSA-N 1 1 340.854 4.803 40 0 EJABMO c1ccc(CN2CC[C@H]([NH2+]C3CCCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000012113179 564127849 /nfs/dbraw/zinc/12/78/49/564127849.db2.gz NCIDXTBGDVKDPB-PKTZIBPZSA-N 1 1 334.507 4.577 40 0 EJABMO Cc1csc([C@H](Cc2ccsc2)[NH2+]Cc2cccc(F)c2)n1 ZINC000019240241 202000898 /nfs/dbraw/zinc/00/08/98/202000898.db2.gz BNIOPQOWTQCBGG-INIZCTEOSA-N 1 1 332.469 4.726 40 0 EJABMO c1ccc(C2CCC([NH+]3CCN([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000022459713 202085083 /nfs/dbraw/zinc/08/50/83/202085083.db2.gz LRFGDHOYBPTOBR-RKFHCUQFSA-N 1 1 338.539 4.519 40 0 EJABMO CC1=C[C@H](C)[C@H](CNCC[NH2+]C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1 ZINC000022938749 202094917 /nfs/dbraw/zinc/09/49/17/202094917.db2.gz XPPZSKFTXPXUHK-BPIQYHPVSA-N 1 1 332.576 4.642 40 0 EJABMO CC1=C[C@H](C)[C@H](C[NH2+]CCNC[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1 ZINC000022938749 202094920 /nfs/dbraw/zinc/09/49/20/202094920.db2.gz XPPZSKFTXPXUHK-BPIQYHPVSA-N 1 1 332.576 4.642 40 0 EJABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)nc2c1 ZINC000035446471 202302941 /nfs/dbraw/zinc/30/29/41/202302941.db2.gz LHUUGKQLMUDCTQ-HNNXBMFYSA-N 1 1 326.827 4.779 40 0 biogenic,in-vitro EJABMO CC(C)[N@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358408 216165368 /nfs/dbraw/zinc/16/53/68/216165368.db2.gz XWOWUMJXYSIURX-HNNXBMFYSA-N 1 1 349.400 4.750 40 0 EJABMO Fc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348803 216160455 /nfs/dbraw/zinc/16/04/55/216160455.db2.gz DAKRJXSWRPNPIO-IBGZPJMESA-N 1 1 347.437 4.662 40 0 EJABMO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348920 216160987 /nfs/dbraw/zinc/16/09/87/216160987.db2.gz QEGMCYJDJOFWRO-FQEVSTJZSA-N 1 1 343.474 4.832 40 0 EJABMO Cc1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000072357664 216163709 /nfs/dbraw/zinc/16/37/09/216163709.db2.gz ZGTMWPAFCHLTNS-HSZRJFAPSA-N 1 1 343.474 4.713 40 0 EJABMO Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375263 216179512 /nfs/dbraw/zinc/17/95/12/216179512.db2.gz RTRCDARWIGPSMD-HXUWFJFHSA-N 1 1 344.462 4.866 40 0 EJABMO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379137 216180637 /nfs/dbraw/zinc/18/06/37/216180637.db2.gz HHONOEALTFJAFN-KRWDZBQOSA-N 1 1 338.499 4.513 40 0 EJABMO Cc1cc(-c2ccc(C[NH2+]Cc3ccco3)o2)ccc1Br ZINC000020875854 212182326 /nfs/dbraw/zinc/18/23/26/212182326.db2.gz OSXUEBVVELBLJI-UHFFFAOYSA-N 1 1 346.224 4.900 40 0 EJABMO Cc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccco2)o1 ZINC000020875977 212182021 /nfs/dbraw/zinc/18/20/21/212182021.db2.gz OTKOXHNDLMDPTC-UHFFFAOYSA-N 1 1 346.224 4.900 40 0 EJABMO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020458564 212133123 /nfs/dbraw/zinc/13/31/23/212133123.db2.gz VOQPZMDYLYAFEW-MSOLQXFVSA-N 1 1 348.490 4.510 40 0 EJABMO Cc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000019932551 212086466 /nfs/dbraw/zinc/08/64/66/212086466.db2.gz KSCNRTGORJULMH-INIZCTEOSA-N 1 1 336.479 4.788 40 0 EJABMO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC000019345169 212019665 /nfs/dbraw/zinc/01/96/65/212019665.db2.gz KWOGBUGUEBNTRS-SNRMKQJTSA-N 1 1 339.483 4.569 40 0 EJABMO Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000049168983 204369635 /nfs/dbraw/zinc/36/96/35/204369635.db2.gz NYOTXGSFKOVFGP-HNNXBMFYSA-N 1 1 325.843 4.514 40 0 biogenic,in-vitro EJABMO Cc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000049168983 204369639 /nfs/dbraw/zinc/36/96/39/204369639.db2.gz NYOTXGSFKOVFGP-HNNXBMFYSA-N 1 1 325.843 4.514 40 0 biogenic,in-vitro EJABMO Cc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000049168983 204369640 /nfs/dbraw/zinc/36/96/40/204369640.db2.gz NYOTXGSFKOVFGP-HNNXBMFYSA-N 1 1 325.843 4.514 40 0 biogenic,in-vitro EJABMO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2ccccc2F)n1 ZINC000019240103 212008248 /nfs/dbraw/zinc/00/82/48/212008248.db2.gz DOSGJZOIMJVRPZ-INIZCTEOSA-N 1 1 332.469 4.726 40 0 EJABMO Cc1csc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc(F)cc2)n1 ZINC000019240227 212008013 /nfs/dbraw/zinc/00/80/13/212008013.db2.gz NWYPATMIRKSNMQ-MRXNPFEDSA-N 1 1 332.469 4.726 40 0 EJABMO Oc1ccc2[nH]cc(CCCC[N@@H+]3CC=C(c4ccccc4)CC3)c2c1 ZINC000001548439 563391835 /nfs/dbraw/zinc/39/18/35/563391835.db2.gz HGEYJZMMUGWEOT-UHFFFAOYSA-N 1 1 346.474 4.986 40 0 aggregator,in-man EJABMO CCC[C@H](C(=O)OCC[N@H+]1CCCC12CCCCC2)C1CCCC1 ZINC000006380963 563566591 /nfs/dbraw/zinc/56/65/91/563566591.db2.gz VXWHBMILFDTMFQ-IBGZPJMESA-N 1 1 335.532 4.935 40 0 EJABMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006870035 563589344 /nfs/dbraw/zinc/58/93/44/563589344.db2.gz DCBLUYLJUFLJMJ-UHFFFAOYSA-N 1 1 332.382 4.658 40 0 EJABMO C[N@H+]1CCCC[C@@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000034033127 563916713 /nfs/dbraw/zinc/91/67/13/563916713.db2.gz UXIPFQUBOVWAQW-PVGBUVFQSA-N 1 1 348.490 4.755 40 0 in-man EJABMO c1ccc(CCC[N@H+]2CCC[C@]23CCCN(Cc2ccccc2)C3)cc1 ZINC000096214646 563980201 /nfs/dbraw/zinc/98/02/01/563980201.db2.gz VTTLWTDQPJUEMZ-DEOSSOPVSA-N 1 1 348.534 4.750 40 0 EJABMO Brc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072211636 563984394 /nfs/dbraw/zinc/98/43/94/563984394.db2.gz MITUYOFDPFMEEL-INIZCTEOSA-N 1 1 331.257 4.571 40 0 EJABMO Brc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211636 563984395 /nfs/dbraw/zinc/98/43/95/563984395.db2.gz MITUYOFDPFMEEL-INIZCTEOSA-N 1 1 331.257 4.571 40 0 EJABMO c1ccc(COc2ncccc2[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000072212069 563984441 /nfs/dbraw/zinc/98/44/41/563984441.db2.gz NTGTUBVPDQVGBS-QFIPXVFZSA-N 1 1 344.458 4.998 40 0 EJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214803 563984899 /nfs/dbraw/zinc/98/48/99/563984899.db2.gz UQSBIEQAUXXFJN-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214816 563984966 /nfs/dbraw/zinc/98/49/66/563984966.db2.gz JTGPUQCILAPFEH-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072214993 563985085 /nfs/dbraw/zinc/98/50/85/563985085.db2.gz MZFKOPJPRLRJJT-QGZVFWFLSA-N 1 1 347.503 4.780 40 0 EJABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214919 563985098 /nfs/dbraw/zinc/98/50/98/563985098.db2.gz ZMYXMXQRXRKZNR-QGZVFWFLSA-N 1 1 347.503 4.778 40 0 EJABMO Cc1cc(N2CCCC2)ncc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218887 563985661 /nfs/dbraw/zinc/98/56/61/563985661.db2.gz JBWLFTHCNTYOLO-OAQYLSRUSA-N 1 1 335.495 4.717 40 0 EJABMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219150 563985703 /nfs/dbraw/zinc/98/57/03/563985703.db2.gz MVXADOZFQYOTDC-OAQYLSRUSA-N 1 1 335.495 4.717 40 0 EJABMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219149 563985735 /nfs/dbraw/zinc/98/57/35/563985735.db2.gz MVXADOZFQYOTDC-NRFANRHFSA-N 1 1 335.495 4.717 40 0 EJABMO Cc1ccc2[nH+]c(-c3ccc(N(C)C)cc3)c(NC3CCCC3)n2c1 ZINC000000417912 563997317 /nfs/dbraw/zinc/99/73/17/563997317.db2.gz HDAXZUMKDUJFLV-UHFFFAOYSA-N 1 1 334.467 4.730 40 0 EJABMO COc1ccc(C[N@@H+](Cc2ccc(C)s2)Cc2ccncc2)cc1 ZINC000013570244 564020186 /nfs/dbraw/zinc/02/01/86/564020186.db2.gz HRBSWIGUVGAOKF-UHFFFAOYSA-N 1 1 338.476 4.663 40 0 EJABMO Cc1ccsc1C[N@@H+](CCCO)Cc1cccc2ccccc21 ZINC000013997305 564020880 /nfs/dbraw/zinc/02/08/80/564020880.db2.gz AXVRHDXCDOVEGT-UHFFFAOYSA-N 1 1 325.477 4.594 40 0 EJABMO COc1ccc2[nH]cc([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)c2c1 ZINC000057744995 564035048 /nfs/dbraw/zinc/03/50/48/564035048.db2.gz DIEHEYPUACOTSS-HNNXBMFYSA-N 1 1 340.854 4.819 40 0 EJABMO Cc1cccc(N(CC(=O)c2ccc(C)cc2C)C2=[NH+]CCCC2)c1 ZINC000008414566 564035698 /nfs/dbraw/zinc/03/56/98/564035698.db2.gz WIMRNBFVNFUGQO-UHFFFAOYSA-N 1 1 334.463 4.884 40 0 EJABMO c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000034086993 564050257 /nfs/dbraw/zinc/05/02/57/564050257.db2.gz GGBZYOBTRJQSDZ-BJKOFHAPSA-N 1 1 348.534 4.967 40 0 EJABMO c1ccc(CN2CC[C@@H]([NH2+]C3CCCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000034086993 564050258 /nfs/dbraw/zinc/05/02/58/564050258.db2.gz GGBZYOBTRJQSDZ-BJKOFHAPSA-N 1 1 348.534 4.967 40 0 EJABMO c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)C2 ZINC000328972157 564071133 /nfs/dbraw/zinc/07/11/33/564071133.db2.gz DULISINIYTYDSV-UHFFFAOYSA-N 1 1 348.494 4.661 40 0 EJABMO c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)C2 ZINC000328972157 564071134 /nfs/dbraw/zinc/07/11/34/564071134.db2.gz DULISINIYTYDSV-UHFFFAOYSA-N 1 1 348.494 4.661 40 0 EJABMO c1ccc(CN2CC[C@@H]([NH2+]C3CCCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000012113178 564127858 /nfs/dbraw/zinc/12/78/58/564127858.db2.gz NCIDXTBGDVKDPB-DHIUTWEWSA-N 1 1 334.507 4.577 40 0 EJABMO COc1ccc2oc([C@@H](C)[NH2+]Cc3cccc(OC)c3F)c(C)c2c1 ZINC000192681053 564177688 /nfs/dbraw/zinc/17/76/88/564177688.db2.gz JFQCWRHYBZHIMM-CYBMUJFWSA-N 1 1 343.398 4.748 40 0 EJABMO