smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OC ZINC000585272146 1071017720 /nfs/dbraw/zinc/01/77/20/1071017720.db2.gz PZYAHVUQWVZWDT-UHFFFAOYSA-N 2 1 562.538 6.290 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272231 1071024383 /nfs/dbraw/zinc/02/43/83/1071024383.db2.gz RHZXRLRQLZRIOD-LJAQVGFWSA-N 2 1 562.538 6.026 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272231 1071024404 /nfs/dbraw/zinc/02/44/04/1071024404.db2.gz RHZXRLRQLZRIOD-LJAQVGFWSA-N 2 1 562.538 6.026 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271872 1071026157 /nfs/dbraw/zinc/02/61/57/1071026157.db2.gz PIZMHILGFRPOLI-UHFFFAOYSA-N 2 1 548.511 5.636 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271159 1071025532 /nfs/dbraw/zinc/02/55/32/1071025532.db2.gz KNHYDTPRJAPRCT-MUUNZHRXSA-N 2 1 548.511 5.636 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271159 1071025542 /nfs/dbraw/zinc/02/55/42/1071025542.db2.gz KNHYDTPRJAPRCT-MUUNZHRXSA-N 2 1 548.511 5.636 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585272829 1071027766 /nfs/dbraw/zinc/02/77/66/1071027766.db2.gz XJBAADVXTQZVBM-PMERELPUSA-N 2 1 507.675 5.082 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585272829 1071027774 /nfs/dbraw/zinc/02/77/74/1071027774.db2.gz XJBAADVXTQZVBM-PMERELPUSA-N 2 1 507.675 5.082 40 0 KKABMP O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000585280462 1071036565 /nfs/dbraw/zinc/03/65/65/1071036565.db2.gz NYFQHSLGPXDKTM-MHZLTWQESA-N 2 1 507.502 5.654 40 0 KKABMP Cc1cc(OC[C@]2(O)CCC[N@@H+](Cc3cccc(OCCC[NH+]4CCCCC4)c3)C2)cc(C)c1Cl ZINC000585280483 1071035799 /nfs/dbraw/zinc/03/57/99/1071035799.db2.gz OGLJDFGWCLAOMJ-LJAQVGFWSA-N 2 1 501.111 5.618 40 0 KKABMP Cc1cc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCCn4cc[nH+]c4C(C)C)cc3)C2)cc(C)c1Cl ZINC000585279656 1071037820 /nfs/dbraw/zinc/03/78/20/1071037820.db2.gz FKNNRVHCKKDXHG-GDLZYMKVSA-N 2 1 512.094 5.762 40 0 KKABMP Cc1cc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCCn4cc[nH+]c4C(C)C)cc3)C2)cc(C)c1Cl ZINC000585279656 1071037829 /nfs/dbraw/zinc/03/78/29/1071037829.db2.gz FKNNRVHCKKDXHG-GDLZYMKVSA-N 2 1 512.094 5.762 40 0 KKABMP COc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585272816 1071146646 /nfs/dbraw/zinc/14/66/46/1071146646.db2.gz XDXKHAKFRTXQHZ-UHFFFAOYSA-N 2 1 548.511 6.036 40 0 KKABMP CC/C(=C(\CC)c1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(OCCC[NH+]2CCCC[C@@H]2C)cc1 ZINC000004775307 552481419 /nfs/dbraw/zinc/48/14/19/552481419.db2.gz SLGWRSBFFOTZCG-SBUUONSRSA-N 2 1 546.840 8.704 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C2)CC[NH+]1C ZINC000085977430 553692574 /nfs/dbraw/zinc/69/25/74/553692574.db2.gz HKAAPKXOAPZXLY-XZWHSSHBSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C2)CC[N@H+]1C ZINC000085977430 553692577 /nfs/dbraw/zinc/69/25/77/553692577.db2.gz HKAAPKXOAPZXLY-XZWHSSHBSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C2)CC[N@@H+]1C ZINC000085977430 553692580 /nfs/dbraw/zinc/69/25/80/553692580.db2.gz HKAAPKXOAPZXLY-XZWHSSHBSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)C[NH+](C)C4 ZINC000057678766 554364202 /nfs/dbraw/zinc/36/42/02/554364202.db2.gz ZJMYHEVTMWXXMA-IRPSRAIASA-N 2 1 608.735 6.859 40 0 in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)C[N@@H+](C)C4 ZINC000057678766 554364196 /nfs/dbraw/zinc/36/41/96/554364196.db2.gz ZJMYHEVTMWXXMA-IRPSRAIASA-N 2 1 608.735 6.859 40 0 in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)C[NH+](C)C4 ZINC000057678766 554364206 /nfs/dbraw/zinc/36/42/06/554364206.db2.gz ZJMYHEVTMWXXMA-IRPSRAIASA-N 2 1 608.735 6.859 40 0 in-vitro KKABMP Oc1cccc2ccc(C[NH+]3CCSCCOCCSCC[N@H+](Cc4ccc5cccc(O)c5n4)CCSCC3)nc12 ZINC000100521777 554409577 /nfs/dbraw/zinc/40/95/77/554409577.db2.gz XLLLQUMDYKOPGG-UHFFFAOYSA-N 2 1 624.898 5.728 40 0 KKABMP COc1cc2c3c(c1O)-c1cc(OC)c(Oc4c(C[C@H]5c6cc(OC)c(OC)cc6CC[N@@H+]5C)ccc(OC)c4OC)cc1C[C@@H]3N(C)CC2 ZINC000004098093 565087142 /nfs/dbraw/zinc/08/71/42/565087142.db2.gz IBHSRCBKJMEBQB-VMPREFPWSA-N 2 1 682.814 6.760 40 0 biogenic,in-vitro KKABMP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(O)c(OC)cc4c2[C@H](C3)N(C)CC4)c1OC ZINC000004098093 565087148 /nfs/dbraw/zinc/08/71/48/565087148.db2.gz IBHSRCBKJMEBQB-VMPREFPWSA-N 2 1 682.814 6.760 40 0 biogenic,in-vitro KKABMP CC[C@@H]1C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608777 572130165 /nfs/dbraw/zinc/13/01/65/572130165.db2.gz UIIJJOSJTPGHMR-WEOGRHNKSA-N 2 1 736.954 5.549 40 0 KKABMP CC[C@@H]1C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608777 572130168 /nfs/dbraw/zinc/13/01/68/572130168.db2.gz UIIJJOSJTPGHMR-WEOGRHNKSA-N 2 1 736.954 5.549 40 0 KKABMP CC[C@@H]1C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608777 572130173 /nfs/dbraw/zinc/13/01/73/572130173.db2.gz UIIJJOSJTPGHMR-WEOGRHNKSA-N 2 1 736.954 5.549 40 0 KKABMP CC1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4[C@H](C3)[C@@H](c3ccc(F)cc3F)C[N@H+]4Cc3ccccc3)o2)CC1 ZINC000257277839 572313642 /nfs/dbraw/zinc/31/36/42/572313642.db2.gz NZSKSBSXJIUSDJ-MUPNOLHXSA-N 2 1 533.663 5.920 40 0 KKABMP CC(C)(C)[PH+]1Cc2ccc3ccccc3c2-c2c3ccccc3ccc2[C@@H]1[C@@H]1c2ccc3ccccc3c2-c2c(ccc3ccccc32)C[P@@H+]1C(C)(C)C ZINC000200754298 1069724009 /nfs/dbraw/zinc/72/40/09/1069724009.db2.gz YXMFQIWDFKIXGQ-KGXOZHEFSA-N 2 1 734.904 16.004 40 0 KKABMP CC(C)(C)[PH+]1Cc2ccc3ccccc3c2-c2c3ccccc3ccc2[C@H]1[C@H]1c2ccc3ccccc3c2-c2c(ccc3ccccc32)C[P@@H+]1C(C)(C)C ZINC000200754298 1069724016 /nfs/dbraw/zinc/72/40/16/1069724016.db2.gz YXMFQIWDFKIXGQ-KGXOZHEFSA-N 2 1 734.904 16.004 40 0 KKABMP CC(C)(C)[PH+]1Cc2ccc3ccccc3c2-c2c3ccccc3ccc2[C@H]1[C@H]1c2ccc3ccccc3c2-c2c(ccc3ccccc32)C[P@H+]1C(C)(C)C ZINC000200754298 1069724027 /nfs/dbraw/zinc/72/40/27/1069724027.db2.gz YXMFQIWDFKIXGQ-KGXOZHEFSA-N 2 1 734.904 16.004 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585270484 1071019885 /nfs/dbraw/zinc/01/98/85/1071019885.db2.gz DTSLGRKFIYSZHD-MUUNZHRXSA-N 2 1 532.512 6.017 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585270484 1071019903 /nfs/dbraw/zinc/01/99/03/1071019903.db2.gz DTSLGRKFIYSZHD-MUUNZHRXSA-N 2 1 532.512 6.017 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585271857 1071026311 /nfs/dbraw/zinc/02/63/11/1071026311.db2.gz PBRULVYONHIYKA-SSEXGKCCSA-N 2 1 507.675 5.082 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585271857 1071026320 /nfs/dbraw/zinc/02/63/20/1071026320.db2.gz PBRULVYONHIYKA-SSEXGKCCSA-N 2 1 507.675 5.082 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585271785 1071023009 /nfs/dbraw/zinc/02/30/09/1071023009.db2.gz OFLPUXDPJPUOOZ-WJOKGBTCSA-N 2 1 521.702 5.682 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585271785 1071023017 /nfs/dbraw/zinc/02/30/17/1071023017.db2.gz OFLPUXDPJPUOOZ-WJOKGBTCSA-N 2 1 521.702 5.682 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585271856 1071026043 /nfs/dbraw/zinc/02/60/43/1071026043.db2.gz PBRULVYONHIYKA-PMERELPUSA-N 2 1 507.675 5.082 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585271856 1071026053 /nfs/dbraw/zinc/02/60/53/1071026053.db2.gz PBRULVYONHIYKA-PMERELPUSA-N 2 1 507.675 5.082 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1OC ZINC000585272352 1071029575 /nfs/dbraw/zinc/02/95/75/1071029575.db2.gz SJBQFPVEMJKWPJ-SSEXGKCCSA-N 2 1 507.675 5.028 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1OC ZINC000585272352 1071029580 /nfs/dbraw/zinc/02/95/80/1071029580.db2.gz SJBQFPVEMJKWPJ-SSEXGKCCSA-N 2 1 507.675 5.028 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585272641 1071028478 /nfs/dbraw/zinc/02/84/78/1071028478.db2.gz VBSRJXRAYPAHIU-GDLZYMKVSA-N 2 1 511.638 5.122 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585272641 1071028480 /nfs/dbraw/zinc/02/84/80/1071028480.db2.gz VBSRJXRAYPAHIU-GDLZYMKVSA-N 2 1 511.638 5.122 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585273333 1071033537 /nfs/dbraw/zinc/03/35/37/1071033537.db2.gz ZVYLWDSSPZMNEV-LJAQVGFWSA-N 2 1 528.093 5.291 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585273333 1071033546 /nfs/dbraw/zinc/03/35/46/1071033546.db2.gz ZVYLWDSSPZMNEV-LJAQVGFWSA-N 2 1 528.093 5.291 40 0 KKABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](Cc3ccccc3)[NH+](C)CC4)c1O)[C@@H](Cc1ccccc1)[N@@H+](C)CC2 ZINC000004273404 552455708 /nfs/dbraw/zinc/45/57/08/552455708.db2.gz XLVUUDGJEWCYEC-HNRBIFIRSA-N 2 1 564.726 6.325 40 0 KKABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](Cc3ccccc3)[N@H+](C)CC4)c1O)[C@@H](Cc1ccccc1)[NH+](C)CC2 ZINC000004273404 552455710 /nfs/dbraw/zinc/45/57/10/552455710.db2.gz XLVUUDGJEWCYEC-HNRBIFIRSA-N 2 1 564.726 6.325 40 0 KKABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](Cc3ccccc3)[N@@H+](C)CC4)c1O)[C@@H](Cc1ccccc1)[NH+](C)CC2 ZINC000004273404 552455712 /nfs/dbraw/zinc/45/57/12/552455712.db2.gz XLVUUDGJEWCYEC-HNRBIFIRSA-N 2 1 564.726 6.325 40 0 KKABMP c1ccc(CC[N@H+]2[C@@H](c3ccccc3)C[C@H]([NH2+]Cc3ccccc3)[C@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000009347632 553244367 /nfs/dbraw/zinc/24/43/67/553244367.db2.gz MTFXVXUBNOYWNP-NAQJMGRXSA-N 2 1 522.736 8.360 40 0 KKABMP CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CC[NH+](Cc4ccccc4)CC3)no2)cc1 ZINC000015673711 553534079 /nfs/dbraw/zinc/53/40/79/553534079.db2.gz FNOFJYWKMXUJAD-SVBPBHIXSA-N 2 1 514.714 5.142 40 0 biogenic,in-vitro KKABMP COc1cc2c(cc1O)CC[N@@H+](C)[C@@H]2Cc1ccc(Oc2cc(C[C@@H]3c4cc(OC)c(OC)cc4CC[NH+]3C)ccc2O)cc1 ZINC000085492216 553682545 /nfs/dbraw/zinc/68/25/45/553682545.db2.gz APIHNXDZCYDPTF-FIRIVFDPSA-N 2 1 610.751 6.459 40 0 biogenic,in-vitro KKABMP COc1cc2c(cc1O)CC[NH+](C)[C@@H]2Cc1ccc(Oc2cc(C[C@@H]3c4cc(OC)c(OC)cc4CC[N@H+]3C)ccc2O)cc1 ZINC000085492216 553682547 /nfs/dbraw/zinc/68/25/47/553682547.db2.gz APIHNXDZCYDPTF-FIRIVFDPSA-N 2 1 610.751 6.459 40 0 biogenic,in-vitro KKABMP COc1cc2c(cc1O)CC[NH+](C)[C@@H]2Cc1ccc(Oc2cc(C[C@@H]3c4cc(OC)c(OC)cc4CC[N@@H+]3C)ccc2O)cc1 ZINC000085492216 553682549 /nfs/dbraw/zinc/68/25/49/553682549.db2.gz APIHNXDZCYDPTF-FIRIVFDPSA-N 2 1 610.751 6.459 40 0 biogenic,in-vitro KKABMP O[C@H](COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000150413493 571484743 /nfs/dbraw/zinc/48/47/43/571484743.db2.gz DGPXHQWIZBVPDM-UIOOFZCWSA-N 2 1 684.492 5.424 40 0 KKABMP CC[C@@H]1C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608775 572130239 /nfs/dbraw/zinc/13/02/39/572130239.db2.gz UIIJJOSJTPGHMR-NWLWASHKSA-N 2 1 736.954 5.549 40 0 KKABMP CC[C@@H]1C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608775 572130242 /nfs/dbraw/zinc/13/02/42/572130242.db2.gz UIIJJOSJTPGHMR-NWLWASHKSA-N 2 1 736.954 5.549 40 0 KKABMP CC[C@@H]1C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608775 572130247 /nfs/dbraw/zinc/13/02/47/572130247.db2.gz UIIJJOSJTPGHMR-NWLWASHKSA-N 2 1 736.954 5.549 40 0 KKABMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34C[C@@H]3C=CCCCC[NH+]3[C@H]41)CCCCC=CCC2 ZINC000253664528 572301886 /nfs/dbraw/zinc/30/18/86/572301886.db2.gz FUCSLKWLLSEMDQ-WVKCEPFPSA-N 2 1 548.775 6.856 40 0 in-vitro KKABMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3C=CCCCC[N@@H+]3[C@H]41)CCCCC=CCC2 ZINC000253664528 572301887 /nfs/dbraw/zinc/30/18/87/572301887.db2.gz FUCSLKWLLSEMDQ-WVKCEPFPSA-N 2 1 548.775 6.856 40 0 in-vitro KKABMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3C=CCCCC[N@H+]3[C@H]41)CCCCC=CCC2 ZINC000253664528 572301888 /nfs/dbraw/zinc/30/18/88/572301888.db2.gz FUCSLKWLLSEMDQ-WVKCEPFPSA-N 2 1 548.775 6.856 40 0 in-vitro KKABMP O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCCC[C@H]1[N@@H+](CCc1c[nH]c2ccccc12)Cc1ccccc1Cl ZINC000257229876 572309195 /nfs/dbraw/zinc/30/91/95/572309195.db2.gz FZVMQGDTCGSIFI-JFHPUIQFSA-N 2 1 502.102 6.328 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585270206 1071021480 /nfs/dbraw/zinc/02/14/80/1071021480.db2.gz CVXPFORPOPYFMU-SSEXGKCCSA-N 2 1 542.120 5.599 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585270206 1071021501 /nfs/dbraw/zinc/02/15/01/1071021501.db2.gz CVXPFORPOPYFMU-SSEXGKCCSA-N 2 1 542.120 5.599 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1OC ZINC000585271883 1071025950 /nfs/dbraw/zinc/02/59/50/1071025950.db2.gz PQTAHJTURJNXKF-UHFFFAOYSA-N 2 1 521.702 5.600 40 0 KKABMP Cc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585271816 1071023433 /nfs/dbraw/zinc/02/34/33/1071023433.db2.gz CWFGNSTWTGKUJI-MHZLTWQESA-N 2 1 518.485 5.763 40 0 KKABMP Cc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585271816 1071023453 /nfs/dbraw/zinc/02/34/53/1071023453.db2.gz CWFGNSTWTGKUJI-MHZLTWQESA-N 2 1 518.485 5.763 40 0 KKABMP COCC[N@H+](Cc1ccc(OCC[NH+]2CCC(C)CC2)c(OC)c1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271240 1071026133 /nfs/dbraw/zinc/02/61/33/1071026133.db2.gz DPHWDQLTXVJTRI-NDEPHWFRSA-N 2 1 559.751 5.423 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272764 1071026790 /nfs/dbraw/zinc/02/67/90/1071026790.db2.gz WNANNCLNSMCSBJ-UHFFFAOYSA-N 2 1 548.511 5.636 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272791 1071026963 /nfs/dbraw/zinc/02/69/63/1071026963.db2.gz WWYFGIUIMJFEOT-HKBQPEDESA-N 2 1 521.702 5.336 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272791 1071026980 /nfs/dbraw/zinc/02/69/80/1071026980.db2.gz WWYFGIUIMJFEOT-HKBQPEDESA-N 2 1 521.702 5.336 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585273332 1071033851 /nfs/dbraw/zinc/03/38/51/1071033851.db2.gz ZVYLWDSSPZMNEV-GDLZYMKVSA-N 2 1 528.093 5.291 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585273332 1071033867 /nfs/dbraw/zinc/03/38/67/1071033867.db2.gz ZVYLWDSSPZMNEV-GDLZYMKVSA-N 2 1 528.093 5.291 40 0 KKABMP Cc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)cc1 ZINC000585291776 1071040897 /nfs/dbraw/zinc/04/08/97/1071040897.db2.gz CNRBQASZXIMYCQ-UHFFFAOYSA-N 2 1 546.741 5.593 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC001560410137 1073196148 /nfs/dbraw/zinc/19/61/48/1073196148.db2.gz YWNHSANGPSQEBM-PMERELPUSA-N 2 1 621.754 7.001 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC001560410137 1073196152 /nfs/dbraw/zinc/19/61/52/1073196152.db2.gz YWNHSANGPSQEBM-PMERELPUSA-N 2 1 621.754 7.001 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC001560410137 1073196156 /nfs/dbraw/zinc/19/61/56/1073196156.db2.gz YWNHSANGPSQEBM-PMERELPUSA-N 2 1 621.754 7.001 40 0 KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)ccc3O)cc1)[NH+](C)CC2 ZINC000004098077 552436419 /nfs/dbraw/zinc/43/64/19/552436419.db2.gz AQASRZOCERRGBL-ROJLCIKYSA-N 2 1 624.778 6.762 40 0 biogenic,in-vitro KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000004098077 552436421 /nfs/dbraw/zinc/43/64/21/552436421.db2.gz AQASRZOCERRGBL-ROJLCIKYSA-N 2 1 624.778 6.762 40 0 biogenic,in-vitro KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000004098077 552436425 /nfs/dbraw/zinc/43/64/25/552436425.db2.gz AQASRZOCERRGBL-ROJLCIKYSA-N 2 1 624.778 6.762 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[NH+](C)CC2)C[N@@H+](C)C4 ZINC000057678769 554364387 /nfs/dbraw/zinc/36/43/87/554364387.db2.gz ZJMYHEVTMWXXMA-VAVYLYDRSA-N 2 1 608.735 6.859 40 0 in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@@H+](C)CC2)C[NH+](C)C4 ZINC000057678769 554364390 /nfs/dbraw/zinc/36/43/90/554364390.db2.gz ZJMYHEVTMWXXMA-VAVYLYDRSA-N 2 1 608.735 6.859 40 0 in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)C[NH+](C)C4 ZINC000057678769 554364388 /nfs/dbraw/zinc/36/43/88/554364388.db2.gz ZJMYHEVTMWXXMA-VAVYLYDRSA-N 2 1 608.735 6.859 40 0 in-vitro KKABMP COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@H]5c6cc(O)c(OC)cc6CC[NH+]5C)ccc4O)c(OC)cc3CC[N@@H+]2C)cc1 ZINC000100822590 554481168 /nfs/dbraw/zinc/48/11/68/554481168.db2.gz AJPXZTKPPINUKN-JSOSNVBQSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@H]5c6cc(O)c(OC)cc6CC[N@H+]5C)ccc4O)c(OC)cc3CC[NH+]2C)cc1 ZINC000100822590 554481171 /nfs/dbraw/zinc/48/11/71/554481171.db2.gz AJPXZTKPPINUKN-JSOSNVBQSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@H]5c6cc(O)c(OC)cc6CC[N@@H+]5C)ccc4O)c(OC)cc3CC[NH+]2C)cc1 ZINC000100822590 554481174 /nfs/dbraw/zinc/48/11/74/554481174.db2.gz AJPXZTKPPINUKN-JSOSNVBQSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP CC1=C(C(=O)c2ccccc2)[C@@H](S[C@@H]2C(C(=O)c3ccccc3)=C(C)[NH2+]N2c2ccccc2)N(c2ccccc2)[NH2+]1 ZINC000248036414 572252774 /nfs/dbraw/zinc/25/27/74/572252774.db2.gz RELAXJRZXHMIMK-ZEDJEROUSA-N 2 1 558.707 7.162 40 0 KKABMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2F)C[N@@H+]3Cc2ccc(Cl)cc2)o1 ZINC000257294349 572315291 /nfs/dbraw/zinc/31/52/91/572315291.db2.gz QTSGWNLFYLMVQR-DGWZTRNLSA-N 2 1 514.016 5.403 40 0 KKABMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2F)C[N@H+]3Cc2ccc(Cl)cc2)o1 ZINC000257294349 572315292 /nfs/dbraw/zinc/31/52/92/572315292.db2.gz QTSGWNLFYLMVQR-DGWZTRNLSA-N 2 1 514.016 5.403 40 0 KKABMP COc1cc2c(cc1O)[C@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000257390565 572322414 /nfs/dbraw/zinc/32/24/14/572322414.db2.gz BURJAQFYNVMZDV-CONSDPRKSA-N 2 1 610.751 6.459 40 0 KKABMP COc1cc2c(cc1O)[C@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1)[N@H+](C)CC2 ZINC000257390565 572322415 /nfs/dbraw/zinc/32/24/15/572322415.db2.gz BURJAQFYNVMZDV-CONSDPRKSA-N 2 1 610.751 6.459 40 0 KKABMP COc1cc2c(cc1O)[C@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1)[N@@H+](C)CC2 ZINC000257390565 572322416 /nfs/dbraw/zinc/32/24/16/572322416.db2.gz BURJAQFYNVMZDV-CONSDPRKSA-N 2 1 610.751 6.459 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cc[nH+]c1C ZINC000585270099 1071020566 /nfs/dbraw/zinc/02/05/66/1071020566.db2.gz BUTFBEFNHAGAKS-HHHXNRCGSA-N 2 1 534.484 5.382 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cc[nH+]c1C ZINC000585270099 1071020587 /nfs/dbraw/zinc/02/05/87/1071020587.db2.gz BUTFBEFNHAGAKS-HHHXNRCGSA-N 2 1 534.484 5.382 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271762 1071023144 /nfs/dbraw/zinc/02/31/44/1071023144.db2.gz NUICOCXLGYHMGC-UHFFFAOYSA-N 2 1 534.484 5.246 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585271175 1071025505 /nfs/dbraw/zinc/02/55/05/1071025505.db2.gz KWNPKYGPWLTXKD-SSEXGKCCSA-N 2 1 525.665 5.512 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585271175 1071025512 /nfs/dbraw/zinc/02/55/12/1071025512.db2.gz KWNPKYGPWLTXKD-SSEXGKCCSA-N 2 1 525.665 5.512 40 0 KKABMP COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCn1cc[nH+]c1C ZINC000585270207 1071020817 /nfs/dbraw/zinc/02/08/17/1071020817.db2.gz CWWJTSSOISJBJQ-UHFFFAOYSA-N 2 1 534.484 5.646 40 0 KKABMP COc1cc(C[N@@H+](CCO)C[C@@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272332 1071029428 /nfs/dbraw/zinc/02/94/28/1071029428.db2.gz KHBWWXGBQSBHBU-HHHXNRCGSA-N 2 1 577.791 5.264 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OC ZINC000585272657 1071028554 /nfs/dbraw/zinc/02/85/54/1071028554.db2.gz VGVMUDHMKFSGMC-UHFFFAOYSA-N 2 1 528.093 5.291 40 0 KKABMP Cc1[nH+]ccn1CCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273448 1071034496 /nfs/dbraw/zinc/03/44/96/1071034496.db2.gz RKYROOTXNXFNTL-AREMUKBSSA-N 2 1 504.458 5.373 40 0 KKABMP Cc1[nH+]ccn1CCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273448 1071034504 /nfs/dbraw/zinc/03/45/04/1071034504.db2.gz RKYROOTXNXFNTL-AREMUKBSSA-N 2 1 504.458 5.373 40 0 KKABMP O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)CC1 ZINC000585279520 1071038379 /nfs/dbraw/zinc/03/83/79/1071038379.db2.gz CZFHGKFKOONZLD-NDEPHWFRSA-N 2 1 521.529 6.044 40 0 KKABMP CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OC)c(Cn4cc[nH+]c4C)c3)CC2)n1 ZINC000585295169 1071047071 /nfs/dbraw/zinc/04/70/71/1071047071.db2.gz OEIAYWCYFFKHQS-UHFFFAOYSA-N 2 1 518.731 5.899 40 0 KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096316272 553749458 /nfs/dbraw/zinc/74/94/58/553749458.db2.gz VSPLVBAGDNRNHN-URLMMPGGSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096316272 553749460 /nfs/dbraw/zinc/74/94/60/553749460.db2.gz VSPLVBAGDNRNHN-URLMMPGGSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096316272 553749464 /nfs/dbraw/zinc/74/94/64/553749464.db2.gz VSPLVBAGDNRNHN-URLMMPGGSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096316272 553749466 /nfs/dbraw/zinc/74/94/66/553749466.db2.gz VSPLVBAGDNRNHN-URLMMPGGSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP C[NH+]1C[C@@H](c2ccccc2)C(O)([C@]2(c3ccccc3)C[N@H+](C)C[C@H](c3ccccc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000033838212 553974973 /nfs/dbraw/zinc/97/49/73/553974973.db2.gz MYEJTRVASCARKF-YNHMETPHSA-N 2 1 530.712 5.467 40 0 in-vitro KKABMP C[NH+]1C[C@H](c2ccccc2)C(=O)[C@](c2ccccc2)(C2(O)[C@H](c3ccccc3)C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000033838212 553974969 /nfs/dbraw/zinc/97/49/69/553974969.db2.gz MYEJTRVASCARKF-YNHMETPHSA-N 2 1 530.712 5.467 40 0 in-vitro KKABMP C[NH+]1C[C@@H](c2ccccc2)C(O)([C@]2(c3ccccc3)C[N@@H+](C)C[C@H](c3ccccc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000033838212 553974976 /nfs/dbraw/zinc/97/49/76/553974976.db2.gz MYEJTRVASCARKF-YNHMETPHSA-N 2 1 530.712 5.467 40 0 in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[NH+](C)CC2 ZINC000038147443 554270507 /nfs/dbraw/zinc/27/05/07/554270507.db2.gz LFFQVHXIFJLJSP-VSGBNLITSA-N 2 1 594.708 6.556 40 0 in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@@H+](C)CC2 ZINC000038147443 554270513 /nfs/dbraw/zinc/27/05/13/554270513.db2.gz LFFQVHXIFJLJSP-VSGBNLITSA-N 2 1 594.708 6.556 40 0 in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2 ZINC000038147443 554270511 /nfs/dbraw/zinc/27/05/11/554270511.db2.gz LFFQVHXIFJLJSP-VSGBNLITSA-N 2 1 594.708 6.556 40 0 in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C2)CC[NH+]1C ZINC000161527600 565204821 /nfs/dbraw/zinc/20/48/21/565204821.db2.gz HKAAPKXOAPZXLY-KYJUHHDHSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C2)CC[N@H+]1C ZINC000161527600 565204825 /nfs/dbraw/zinc/20/48/25/565204825.db2.gz HKAAPKXOAPZXLY-KYJUHHDHSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C2)CC[N@@H+]1C ZINC000161527600 565204827 /nfs/dbraw/zinc/20/48/27/565204827.db2.gz HKAAPKXOAPZXLY-KYJUHHDHSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000253393407 565211591 /nfs/dbraw/zinc/21/15/91/565211591.db2.gz VSPLVBAGDNRNHN-WDYNHAJCSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000253393407 565211597 /nfs/dbraw/zinc/21/15/97/565211597.db2.gz VSPLVBAGDNRNHN-WDYNHAJCSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000253393407 565211603 /nfs/dbraw/zinc/21/16/03/565211603.db2.gz VSPLVBAGDNRNHN-WDYNHAJCSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000253393407 565211607 /nfs/dbraw/zinc/21/16/07/565211607.db2.gz VSPLVBAGDNRNHN-WDYNHAJCSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP O=C(c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103895357 571368857 /nfs/dbraw/zinc/36/88/57/571368857.db2.gz PFPMDAVWFMCIKB-UHFFFAOYSA-N 2 1 543.755 6.689 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)[C@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)[N@@H+](C)CC3 ZINC000104767714 571385860 /nfs/dbraw/zinc/38/58/60/571385860.db2.gz SWLDQINDYHXMNR-VCTRWQRLSA-N 2 1 624.734 6.634 40 0 KKABMP c1ccc(CC[N@H+]2[C@H](c3ccccc3)C[C@@H]([NH2+]Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000106586646 571413060 /nfs/dbraw/zinc/41/30/60/571413060.db2.gz MTFXVXUBNOYWNP-OQYJSAOUSA-N 2 1 522.736 8.360 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000028115894 574410897 /nfs/dbraw/zinc/41/08/97/574410897.db2.gz WVTKBKWTSCPRNU-IHLOFXLRSA-N 2 1 622.762 7.162 40 0 endogenous,in-man KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000028115894 574410898 /nfs/dbraw/zinc/41/08/98/574410898.db2.gz WVTKBKWTSCPRNU-IHLOFXLRSA-N 2 1 622.762 7.162 40 0 endogenous,in-man KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000028115894 574410899 /nfs/dbraw/zinc/41/08/99/574410899.db2.gz WVTKBKWTSCPRNU-IHLOFXLRSA-N 2 1 622.762 7.162 40 0 endogenous,in-man KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000028115899 574410905 /nfs/dbraw/zinc/41/09/05/574410905.db2.gz WVTKBKWTSCPRNU-LOYHVIPDSA-N 2 1 622.762 7.162 40 0 endogenous,in-man KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000028115899 574410906 /nfs/dbraw/zinc/41/09/06/574410906.db2.gz WVTKBKWTSCPRNU-LOYHVIPDSA-N 2 1 622.762 7.162 40 0 endogenous,in-man KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000028115899 574410907 /nfs/dbraw/zinc/41/09/07/574410907.db2.gz WVTKBKWTSCPRNU-LOYHVIPDSA-N 2 1 622.762 7.162 40 0 endogenous,in-man KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585272144 1071017305 /nfs/dbraw/zinc/01/73/05/1071017305.db2.gz PXDVZIXZKSPNMI-LJAQVGFWSA-N 2 1 528.093 5.209 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585272144 1071017322 /nfs/dbraw/zinc/01/73/22/1071017322.db2.gz PXDVZIXZKSPNMI-LJAQVGFWSA-N 2 1 528.093 5.209 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585270211 1071022494 /nfs/dbraw/zinc/02/24/94/1071022494.db2.gz CWWWOIJHLUMOJT-SSEXGKCCSA-N 2 1 542.120 5.599 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585270211 1071022513 /nfs/dbraw/zinc/02/25/13/1071022513.db2.gz CWWWOIJHLUMOJT-SSEXGKCCSA-N 2 1 542.120 5.599 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585271174 1071025369 /nfs/dbraw/zinc/02/53/69/1071025369.db2.gz KWNPKYGPWLTXKD-PMERELPUSA-N 2 1 525.665 5.512 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585271174 1071025375 /nfs/dbraw/zinc/02/53/75/1071025375.db2.gz KWNPKYGPWLTXKD-PMERELPUSA-N 2 1 525.665 5.512 40 0 KKABMP OCC[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585273172 1071029058 /nfs/dbraw/zinc/02/90/58/1071029058.db2.gz PPCBNPPVXUHEBR-AREMUKBSSA-N 2 1 533.738 5.009 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)c1 ZINC000585273047 1071029985 /nfs/dbraw/zinc/02/99/85/1071029985.db2.gz NAHNHGNJYNRLTB-UHFFFAOYSA-N 2 1 532.512 6.281 40 0 KKABMP COc1cc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585272242 1071027929 /nfs/dbraw/zinc/02/79/29/1071027929.db2.gz RMRGRGMSSLWQKD-UHFFFAOYSA-N 2 1 507.675 5.346 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(OC)c(cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000073355770 553653626 /nfs/dbraw/zinc/65/36/26/553653626.db2.gz UUURWWVPMHAACP-LOYHVIPDSA-N 2 1 622.762 7.162 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(OC)c(cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000073355770 553653627 /nfs/dbraw/zinc/65/36/27/553653627.db2.gz UUURWWVPMHAACP-LOYHVIPDSA-N 2 1 622.762 7.162 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(OC)c(cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000073355770 553653628 /nfs/dbraw/zinc/65/36/28/553653628.db2.gz UUURWWVPMHAACP-LOYHVIPDSA-N 2 1 622.762 7.162 40 0 KKABMP Oc1cccc2ccc(C[NH+]3CCSCC[N@H+](Cc4ccc5cccc(O)c5n4)CCSCC(O)CSCC3)nc12 ZINC000100522951 554409671 /nfs/dbraw/zinc/40/96/71/554409671.db2.gz XWLBPRNSLAWEIJ-UHFFFAOYSA-N 2 1 610.871 5.073 40 0 KKABMP Cc1[nH+]ccn1C[C@H]1CCc2c(c3cc(Cc4ccc5c(c4)c4c(n5C)CC[C@H](Cn5cc[nH+]c5C)C4=O)ccc3n2C)C1=O ZINC000067665267 554533730 /nfs/dbraw/zinc/53/37/30/554533730.db2.gz JTVFJNKLNVONRS-KAYWLYCHSA-N 2 1 598.751 6.161 40 0 in-vitro KKABMP OC[C@H]1CSCC[N@@H+](Cc2ccc3cccc(O)c3n2)CCSCC[NH+](Cc2ccc3cccc(O)c3n2)CCS1 ZINC000255965648 572304318 /nfs/dbraw/zinc/30/43/18/572304318.db2.gz BUNNXZUHAADYOK-MHZLTWQESA-N 2 1 610.871 5.073 40 0 KKABMP OC[C@H]1CSCC[NH+](Cc2ccc3cccc(O)c3n2)CCSCC[N@H+](Cc2ccc3cccc(O)c3n2)CCS1 ZINC000255965648 572304319 /nfs/dbraw/zinc/30/43/19/572304319.db2.gz BUNNXZUHAADYOK-MHZLTWQESA-N 2 1 610.871 5.073 40 0 KKABMP OC[C@H]1CSCC[NH+](Cc2ccc3cccc(O)c3n2)CCSCC[N@@H+](Cc2ccc3cccc(O)c3n2)CCS1 ZINC000255965648 572304320 /nfs/dbraw/zinc/30/43/20/572304320.db2.gz BUNNXZUHAADYOK-MHZLTWQESA-N 2 1 610.871 5.073 40 0 KKABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3cn(C(C)C)c4ccccc34)C2)ccc1Cl ZINC000257217655 572308017 /nfs/dbraw/zinc/30/80/17/572308017.db2.gz CZYUYSKOUIBWJE-JGCGQSQUSA-N 2 1 551.175 6.009 40 0 KKABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3cn(C(C)C)c4ccccc34)C2)ccc1Cl ZINC000257217655 572308019 /nfs/dbraw/zinc/30/80/19/572308019.db2.gz CZYUYSKOUIBWJE-JGCGQSQUSA-N 2 1 551.175 6.009 40 0 KKABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257225525 572308713 /nfs/dbraw/zinc/30/87/13/572308713.db2.gz FGOYERSIHUUNAO-HHHXNRCGSA-N 2 1 554.053 5.372 40 0 KKABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257225525 572308715 /nfs/dbraw/zinc/30/87/15/572308715.db2.gz FGOYERSIHUUNAO-HHHXNRCGSA-N 2 1 554.053 5.372 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000038146181 574410922 /nfs/dbraw/zinc/41/09/22/574410922.db2.gz WVTKBKWTSCPRNU-XZWHSSHBSA-N 2 1 622.762 7.162 40 0 endogenous,in-man KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000038146181 574410923 /nfs/dbraw/zinc/41/09/23/574410923.db2.gz WVTKBKWTSCPRNU-XZWHSSHBSA-N 2 1 622.762 7.162 40 0 endogenous,in-man KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000038146181 574410924 /nfs/dbraw/zinc/41/09/24/574410924.db2.gz WVTKBKWTSCPRNU-XZWHSSHBSA-N 2 1 622.762 7.162 40 0 endogenous,in-man KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC ZINC000585272170 1071017448 /nfs/dbraw/zinc/01/74/48/1071017448.db2.gz QJTLSBSEYDETNZ-UHFFFAOYSA-N 2 1 542.120 5.599 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC ZINC000585270504 1071020131 /nfs/dbraw/zinc/02/01/31/1071020131.db2.gz DVWQPCWOBKJFAO-UHFFFAOYSA-N 2 1 528.093 5.209 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OC ZINC000585270563 1071018839 /nfs/dbraw/zinc/01/88/39/1071018839.db2.gz FTHUMDFKCBGKPL-UHFFFAOYSA-N 2 1 521.702 5.600 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585271105 1071026211 /nfs/dbraw/zinc/02/62/11/1071026211.db2.gz JKJSPUOOUDREGS-SSEXGKCCSA-N 2 1 525.665 5.512 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585271105 1071026221 /nfs/dbraw/zinc/02/62/21/1071026221.db2.gz JKJSPUOOUDREGS-SSEXGKCCSA-N 2 1 525.665 5.512 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OC ZINC000585272868 1071027508 /nfs/dbraw/zinc/02/75/08/1071027508.db2.gz XXJMWFKBTPFTAC-UHFFFAOYSA-N 2 1 548.511 5.900 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1cc[nH+]c1C ZINC000585273328 1071033987 /nfs/dbraw/zinc/03/39/87/1071033987.db2.gz ZTLXPMCZCIDDFF-MHZLTWQESA-N 2 1 534.484 5.382 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1cc[nH+]c1C ZINC000585273328 1071033992 /nfs/dbraw/zinc/03/39/92/1071033992.db2.gz ZTLXPMCZCIDDFF-MHZLTWQESA-N 2 1 534.484 5.382 40 0 KKABMP Cc1cc(OC[C@@]2(O)CCC[N@@H+](Cc3cccc(OCCC[NH+]4CCCCC4)c3)C2)cc(C)c1Cl ZINC000585280482 1071035685 /nfs/dbraw/zinc/03/56/85/1071035685.db2.gz OGLJDFGWCLAOMJ-GDLZYMKVSA-N 2 1 501.111 5.618 40 0 KKABMP Cc1[nH+]ccn1CCCOc1cccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)c1 ZINC000585293369 1071042220 /nfs/dbraw/zinc/04/22/20/1071042220.db2.gz VTVRPJWJTDOFGW-UHFFFAOYSA-N 2 1 546.741 5.593 40 0 KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4Cc3ccc(O)cc3)c1)[NH+](C)CC2 ZINC000410428659 1072834028 /nfs/dbraw/zinc/83/40/28/1072834028.db2.gz XCUCMLUTCAKSOZ-IOWSJCHKSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4Cc3ccc(O)cc3)c1)[N@H+](C)CC2 ZINC000410428659 1072834044 /nfs/dbraw/zinc/83/40/44/1072834044.db2.gz XCUCMLUTCAKSOZ-IOWSJCHKSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4Cc3ccc(O)cc3)c1)[N@@H+](C)CC2 ZINC000410428659 1072834050 /nfs/dbraw/zinc/83/40/50/1072834050.db2.gz XCUCMLUTCAKSOZ-IOWSJCHKSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c(cc1OC)[C@H](CC1=C(c3ccccc3)C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C1)[NH2+]CC2 ZINC000004972684 552490918 /nfs/dbraw/zinc/49/09/18/552490918.db2.gz SKPRLNUWCGPXAF-VMPREFPWSA-N 2 1 526.677 5.755 40 0 KKABMP COc1cc2c3c(c1)Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000072266952 553646889 /nfs/dbraw/zinc/64/68/89/553646889.db2.gz NNDNXSLEMTVVDJ-KYJUHHDHSA-N 2 1 622.762 7.162 40 0 KKABMP COc1cc2c3c(c1)Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000072266952 553646892 /nfs/dbraw/zinc/64/68/92/553646892.db2.gz NNDNXSLEMTVVDJ-KYJUHHDHSA-N 2 1 622.762 7.162 40 0 KKABMP COc1cc2c3c(c1)Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000072266952 553646894 /nfs/dbraw/zinc/64/68/94/553646894.db2.gz NNDNXSLEMTVVDJ-KYJUHHDHSA-N 2 1 622.762 7.162 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C2)CC[NH+]1C ZINC000085977432 553692602 /nfs/dbraw/zinc/69/26/02/553692602.db2.gz HKAAPKXOAPZXLY-LOYHVIPDSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C2)CC[N@H+]1C ZINC000085977432 553692604 /nfs/dbraw/zinc/69/26/04/553692604.db2.gz HKAAPKXOAPZXLY-LOYHVIPDSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C2)CC[N@@H+]1C ZINC000085977432 553692608 /nfs/dbraw/zinc/69/26/08/553692608.db2.gz HKAAPKXOAPZXLY-LOYHVIPDSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP c1ccc(CC[N@H+]2[C@@H](c3ccccc3)C[C@H]([NH2+]Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000106586654 571413056 /nfs/dbraw/zinc/41/30/56/571413056.db2.gz MTFXVXUBNOYWNP-ZPAWJIGKSA-N 2 1 522.736 8.360 40 0 KKABMP CC[C@@H]1C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608776 572130136 /nfs/dbraw/zinc/13/01/36/572130136.db2.gz UIIJJOSJTPGHMR-OFAOWODVSA-N 2 1 736.954 5.549 40 0 KKABMP CC[C@@H]1C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608776 572130139 /nfs/dbraw/zinc/13/01/39/572130139.db2.gz UIIJJOSJTPGHMR-OFAOWODVSA-N 2 1 736.954 5.549 40 0 KKABMP CC[C@@H]1C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608776 572130143 /nfs/dbraw/zinc/13/01/43/572130143.db2.gz UIIJJOSJTPGHMR-OFAOWODVSA-N 2 1 736.954 5.549 40 0 KKABMP CC[C@@H]1C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608774 572130207 /nfs/dbraw/zinc/13/02/07/572130207.db2.gz UIIJJOSJTPGHMR-MJVBJDSLSA-N 2 1 736.954 5.549 40 0 KKABMP CC[C@@H]1C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608774 572130211 /nfs/dbraw/zinc/13/02/11/572130211.db2.gz UIIJJOSJTPGHMR-MJVBJDSLSA-N 2 1 736.954 5.549 40 0 KKABMP CC[C@@H]1C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@H](c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 ZINC000263608774 572130213 /nfs/dbraw/zinc/13/02/13/572130213.db2.gz UIIJJOSJTPGHMR-MJVBJDSLSA-N 2 1 736.954 5.549 40 0 KKABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](Cc3ccccc3)[N@@H+](C)CC4)c1O)[C@H](Cc1ccccc1)[NH+](C)CC2 ZINC000245241110 572214722 /nfs/dbraw/zinc/21/47/22/572214722.db2.gz XLVUUDGJEWCYEC-NSOVKSMOSA-N 2 1 564.726 6.325 40 0 KKABMP Cc1cc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000257202439 572306559 /nfs/dbraw/zinc/30/65/59/572306559.db2.gz ALUCUSBBOHCNHD-MHZLTWQESA-N 2 1 504.140 5.152 40 0 KKABMP Cc1cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000257202439 572306561 /nfs/dbraw/zinc/30/65/61/572306561.db2.gz ALUCUSBBOHCNHD-MHZLTWQESA-N 2 1 504.140 5.152 40 0 KKABMP CCCc1ccc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)o1 ZINC000257318668 572317691 /nfs/dbraw/zinc/31/76/91/572317691.db2.gz VOYGMGZHZFWQRK-NDEPHWFRSA-N 2 1 502.099 5.019 40 0 KKABMP CCCc1ccc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)o1 ZINC000257318668 572317692 /nfs/dbraw/zinc/31/76/92/572317692.db2.gz VOYGMGZHZFWQRK-NDEPHWFRSA-N 2 1 502.099 5.019 40 0 KKABMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2 ZINC000105099349 1069714825 /nfs/dbraw/zinc/71/48/25/1069714825.db2.gz NGZXDRGWBULKFA-IZLXSDGUSA-N 2 1 594.708 6.556 40 0 KKABMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2 ZINC000105099349 1069714831 /nfs/dbraw/zinc/71/48/31/1069714831.db2.gz NGZXDRGWBULKFA-IZLXSDGUSA-N 2 1 594.708 6.556 40 0 KKABMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2 ZINC000105099349 1069714843 /nfs/dbraw/zinc/71/48/43/1069714843.db2.gz NGZXDRGWBULKFA-IZLXSDGUSA-N 2 1 594.708 6.556 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585270491 1071019587 /nfs/dbraw/zinc/01/95/87/1071019587.db2.gz DTSLGRKFIYSZHD-NDEPHWFRSA-N 2 1 532.512 6.017 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585270491 1071019607 /nfs/dbraw/zinc/01/96/07/1071019607.db2.gz DTSLGRKFIYSZHD-NDEPHWFRSA-N 2 1 532.512 6.017 40 0 KKABMP COc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585270456 1071019772 /nfs/dbraw/zinc/01/97/72/1071019772.db2.gz DHQGJKOGYYZVKZ-UHFFFAOYSA-N 2 1 534.484 5.382 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585271102 1071026269 /nfs/dbraw/zinc/02/62/69/1071026269.db2.gz JKJSPUOOUDREGS-PMERELPUSA-N 2 1 525.665 5.512 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585271102 1071026279 /nfs/dbraw/zinc/02/62/79/1071026279.db2.gz JKJSPUOOUDREGS-PMERELPUSA-N 2 1 525.665 5.512 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585271144 1071024107 /nfs/dbraw/zinc/02/41/07/1071024107.db2.gz KEDALRYUZWHDIW-GDLZYMKVSA-N 2 1 528.093 5.209 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585271144 1071024121 /nfs/dbraw/zinc/02/41/21/1071024121.db2.gz KEDALRYUZWHDIW-GDLZYMKVSA-N 2 1 528.093 5.209 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585271145 1071025141 /nfs/dbraw/zinc/02/51/41/1071025141.db2.gz KEDALRYUZWHDIW-LJAQVGFWSA-N 2 1 528.093 5.209 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585271145 1071025149 /nfs/dbraw/zinc/02/51/49/1071025149.db2.gz KEDALRYUZWHDIW-LJAQVGFWSA-N 2 1 528.093 5.209 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OC ZINC000585271183 1071025388 /nfs/dbraw/zinc/02/53/88/1071025388.db2.gz KYYXBRRXEGCEEJ-UHFFFAOYSA-N 2 1 528.093 5.637 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000585273058 1071029900 /nfs/dbraw/zinc/02/99/00/1071029900.db2.gz NAXZGJGJDXNEJK-LJAQVGFWSA-N 2 1 512.094 5.591 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000585273058 1071029904 /nfs/dbraw/zinc/02/99/04/1071029904.db2.gz NAXZGJGJDXNEJK-LJAQVGFWSA-N 2 1 512.094 5.591 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000585273054 1071030047 /nfs/dbraw/zinc/03/00/47/1071030047.db2.gz NAXZGJGJDXNEJK-GDLZYMKVSA-N 2 1 512.094 5.591 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000585273054 1071030057 /nfs/dbraw/zinc/03/00/57/1071030057.db2.gz NAXZGJGJDXNEJK-GDLZYMKVSA-N 2 1 512.094 5.591 40 0 KKABMP COc1cc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585272801 1071026767 /nfs/dbraw/zinc/02/67/67/1071026767.db2.gz WXKZVEMZQYIYQL-UHFFFAOYSA-N 2 1 534.484 5.382 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272769 1071026880 /nfs/dbraw/zinc/02/68/80/1071026880.db2.gz WNHFSBZQPANMPN-HKBQPEDESA-N 2 1 521.702 5.336 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272769 1071026886 /nfs/dbraw/zinc/02/68/86/1071026886.db2.gz WNHFSBZQPANMPN-HKBQPEDESA-N 2 1 521.702 5.336 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272772 1071026928 /nfs/dbraw/zinc/02/69/28/1071026928.db2.gz WNHFSBZQPANMPN-WJOKGBTCSA-N 2 1 521.702 5.336 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272772 1071026933 /nfs/dbraw/zinc/02/69/33/1071026933.db2.gz WNHFSBZQPANMPN-WJOKGBTCSA-N 2 1 521.702 5.336 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585272839 1071027587 /nfs/dbraw/zinc/02/75/87/1071027587.db2.gz XOQWLQDYSGKMPI-GDLZYMKVSA-N 2 1 511.638 5.122 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585272839 1071027598 /nfs/dbraw/zinc/02/75/98/1071027598.db2.gz XOQWLQDYSGKMPI-GDLZYMKVSA-N 2 1 511.638 5.122 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585272701 1071028619 /nfs/dbraw/zinc/02/86/19/1071028619.db2.gz VNKITZAEEHGNSK-PMERELPUSA-N 2 1 507.675 5.292 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585272701 1071028625 /nfs/dbraw/zinc/02/86/25/1071028625.db2.gz VNKITZAEEHGNSK-PMERELPUSA-N 2 1 507.675 5.292 40 0 KKABMP O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000585273736 1071033602 /nfs/dbraw/zinc/03/36/02/1071033602.db2.gz UFWKXFSCUMHCOK-HHHXNRCGSA-N 2 1 507.502 5.654 40 0 KKABMP O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000585273744 1071033973 /nfs/dbraw/zinc/03/39/73/1071033973.db2.gz UFWKXFSCUMHCOK-MHZLTWQESA-N 2 1 507.502 5.654 40 0 KKABMP CC(C)c1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585280719 1071035826 /nfs/dbraw/zinc/03/58/26/1071035826.db2.gz RSTVQCSFJKMEJK-NDEPHWFRSA-N 2 1 532.512 6.188 40 0 KKABMP CC(C)c1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585280719 1071035834 /nfs/dbraw/zinc/03/58/34/1071035834.db2.gz RSTVQCSFJKMEJK-NDEPHWFRSA-N 2 1 532.512 6.188 40 0 KKABMP CC/C(=C(/CC)c1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(OCCC[NH+]2CCCC[C@@H]2C)cc1 ZINC000008616165 553102461 /nfs/dbraw/zinc/10/24/61/553102461.db2.gz SLGWRSBFFOTZCG-CTHQGUNGSA-N 2 1 546.840 8.704 40 0 KKABMP CSc1ccc(CN2CCC[N@@H+](Cc3ccc(SC)cc3)CCN(Cc3ccc(SC)cc3)CCC[NH+](Cc3ccc(SC)cc3)CC2)cc1 ZINC000095101051 553700119 /nfs/dbraw/zinc/70/01/19/553700119.db2.gz RAWKJMUNBZIKJG-UHFFFAOYSA-N 2 1 745.206 9.677 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@H+](C)[C@H]5C2)OCO4)CC[NH+]1C ZINC000038147299 554270205 /nfs/dbraw/zinc/27/02/05/554270205.db2.gz YVPXVXANRNDGTA-URLMMPGGSA-N 2 1 606.719 6.874 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)[C@H]5C2)OCO4)CC[N@@H+]1C ZINC000038147299 554270211 /nfs/dbraw/zinc/27/02/11/554270211.db2.gz YVPXVXANRNDGTA-URLMMPGGSA-N 2 1 606.719 6.874 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)[C@H]5C2)OCO4)CC[N@H+]1C ZINC000038147299 554270208 /nfs/dbraw/zinc/27/02/08/554270208.db2.gz YVPXVXANRNDGTA-URLMMPGGSA-N 2 1 606.719 6.874 40 0 KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2 ZINC000049881656 554326708 /nfs/dbraw/zinc/32/67/08/554326708.db2.gz XGEAUXVPBXUBKN-IZLXSDGUSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2 ZINC000049881656 554326714 /nfs/dbraw/zinc/32/67/14/554326714.db2.gz XGEAUXVPBXUBKN-IZLXSDGUSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2 ZINC000049881656 554326711 /nfs/dbraw/zinc/32/67/11/554326711.db2.gz XGEAUXVPBXUBKN-IZLXSDGUSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2 ZINC000049881656 554326716 /nfs/dbraw/zinc/32/67/16/554326716.db2.gz XGEAUXVPBXUBKN-IZLXSDGUSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP CC1=C(C(=O)c2ccccc2)[C@@H](S[C@@H]2C(C(=O)c3ccccc3)=C(C)[NH2+]N2c2ccccc2)N(c2ccccc2)[NH2+]1 ZINC000100989667 554549942 /nfs/dbraw/zinc/54/99/42/554549942.db2.gz RELAXJRZXHMIMK-GBWWDHKLSA-N 2 1 558.707 7.162 40 0 KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccccc1NC(=O)c1ccc(C(=O)Nc3ccccc3C[C@@H]3c4cc(OC)c(OC)cc4CC[N@@H+]3C)cc1)[NH+](C)CC2 ZINC000150378375 571466677 /nfs/dbraw/zinc/46/66/77/571466677.db2.gz JKZKKMSAECGWSJ-XRSDMRJBSA-N 2 1 754.928 7.769 40 0 KKABMP O[C@@H](COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000150413482 571484793 /nfs/dbraw/zinc/48/47/93/571484793.db2.gz DGPXHQWIZBVPDM-CLJLJLNGSA-N 2 1 684.492 5.424 40 0 KKABMP CCCn1cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000257254609 572311383 /nfs/dbraw/zinc/31/13/83/572311383.db2.gz KDWKSVNQDDOLDM-YTTGMZPUSA-N 2 1 551.175 5.838 40 0 KKABMP CCCn1cc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000257254609 572311384 /nfs/dbraw/zinc/31/13/84/572311384.db2.gz KDWKSVNQDDOLDM-YTTGMZPUSA-N 2 1 551.175 5.838 40 0 KKABMP CCCn1cc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000257254608 572311434 /nfs/dbraw/zinc/31/14/34/572311434.db2.gz KDWKSVNQDDOLDM-JGCGQSQUSA-N 2 1 551.175 5.838 40 0 KKABMP CCCn1cc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000257254608 572311435 /nfs/dbraw/zinc/31/14/35/572311435.db2.gz KDWKSVNQDDOLDM-JGCGQSQUSA-N 2 1 551.175 5.838 40 0 KKABMP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1F)C[N@H+]2Cc1ccccc1 ZINC000257263033 572312371 /nfs/dbraw/zinc/31/23/71/572312371.db2.gz LOBWYEZEIDZGSG-LSMIHOHGSA-N 2 1 519.636 5.674 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OC ZINC000585270604 1071018624 /nfs/dbraw/zinc/01/86/24/1071018624.db2.gz GNCAFVUCXOUYSY-UHFFFAOYSA-N 2 1 507.675 5.210 40 0 KKABMP COc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270621 1071019161 /nfs/dbraw/zinc/01/91/61/1071019161.db2.gz GWRSBLYDMFSMJQ-UHFFFAOYSA-N 2 1 514.066 5.383 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270664 1071019234 /nfs/dbraw/zinc/01/92/34/1071019234.db2.gz HWRZARWWIUHQDA-NDEPHWFRSA-N 2 1 548.511 5.772 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270664 1071019253 /nfs/dbraw/zinc/01/92/53/1071019253.db2.gz HWRZARWWIUHQDA-NDEPHWFRSA-N 2 1 548.511 5.772 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585270159 1071021217 /nfs/dbraw/zinc/02/12/17/1071021217.db2.gz CNMVJZXOXWVKIK-PMERELPUSA-N 2 1 507.675 5.428 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585270159 1071021237 /nfs/dbraw/zinc/02/12/37/1071021237.db2.gz CNMVJZXOXWVKIK-PMERELPUSA-N 2 1 507.675 5.428 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)c1 ZINC000585271636 1071023276 /nfs/dbraw/zinc/02/32/76/1071023276.db2.gz BEBCMAKHUHFERA-GDLZYMKVSA-N 2 1 512.094 5.672 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)c1 ZINC000585271636 1071023292 /nfs/dbraw/zinc/02/32/92/1071023292.db2.gz BEBCMAKHUHFERA-GDLZYMKVSA-N 2 1 512.094 5.672 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271160 1071025206 /nfs/dbraw/zinc/02/52/06/1071025206.db2.gz KNHYDTPRJAPRCT-NDEPHWFRSA-N 2 1 548.511 5.636 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271160 1071025213 /nfs/dbraw/zinc/02/52/13/1071025213.db2.gz KNHYDTPRJAPRCT-NDEPHWFRSA-N 2 1 548.511 5.636 40 0 KKABMP OCC[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585273179 1071029497 /nfs/dbraw/zinc/02/94/97/1071029497.db2.gz PPCBNPPVXUHEBR-SANMLTNESA-N 2 1 533.738 5.009 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585272642 1071028374 /nfs/dbraw/zinc/02/83/74/1071028374.db2.gz VBSRJXRAYPAHIU-LJAQVGFWSA-N 2 1 511.638 5.122 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585272642 1071028379 /nfs/dbraw/zinc/02/83/79/1071028379.db2.gz VBSRJXRAYPAHIU-LJAQVGFWSA-N 2 1 511.638 5.122 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585273318 1071033491 /nfs/dbraw/zinc/03/34/91/1071033491.db2.gz ZMTGZIFTIABGNQ-PMERELPUSA-N 2 1 507.675 5.292 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585273318 1071033509 /nfs/dbraw/zinc/03/35/09/1071033509.db2.gz ZMTGZIFTIABGNQ-PMERELPUSA-N 2 1 507.675 5.292 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1cc[nH+]c1C ZINC000585273326 1071033783 /nfs/dbraw/zinc/03/37/83/1071033783.db2.gz ZTLXPMCZCIDDFF-HHHXNRCGSA-N 2 1 534.484 5.382 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1cc[nH+]c1C ZINC000585273326 1071033798 /nfs/dbraw/zinc/03/37/98/1071033798.db2.gz ZTLXPMCZCIDDFF-HHHXNRCGSA-N 2 1 534.484 5.382 40 0 KKABMP CCc1[nH+]ccn1CCOc1cccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273417 1071034552 /nfs/dbraw/zinc/03/45/52/1071034552.db2.gz NWJRTCQOFUJDOU-UHFFFAOYSA-N 2 1 504.458 5.237 40 0 KKABMP COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)CC1 ZINC000585280290 1071036603 /nfs/dbraw/zinc/03/66/03/1071036603.db2.gz MFAVEGUYVNURTO-UHFFFAOYSA-N 2 1 532.512 6.452 40 0 KKABMP CC(C)c1[nH+]ccn1CCOc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585280838 1071035285 /nfs/dbraw/zinc/03/52/85/1071035285.db2.gz TZTMKBXMWHMPLE-UHFFFAOYSA-N 2 1 518.485 5.798 40 0 KKABMP CC[N@H+]1CCCC[C@@H]1CCOc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000585293737 1071047024 /nfs/dbraw/zinc/04/70/24/1071047024.db2.gz LKSZDLGSYDHCHM-AREMUKBSSA-N 2 1 622.185 6.379 40 0 KKABMP CC[C@]12C=CC[NH+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](C(C)(F)F)C[N@@H+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 ZINC000257049146 1071223851 /nfs/dbraw/zinc/22/38/51/1071223851.db2.gz NMDYYWFGPIMTKO-NSHKKATDSA-N 2 1 816.943 5.079 40 0 KKABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@@H](Cc3ccccc3)[N@@H+](C)CC4)c1O)[C@@H](Cc1ccccc1)[NH+](C)CC2 ZINC000004273405 552455733 /nfs/dbraw/zinc/45/57/33/552455733.db2.gz XLVUUDGJEWCYEC-VSGBNLITSA-N 2 1 564.726 6.325 40 0 KKABMP O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238805 553624370 /nfs/dbraw/zinc/62/43/70/553624370.db2.gz XHMQOWAGHDZMTA-UHFFFAOYSA-N 2 1 501.674 5.792 40 0 KKABMP O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238805 553624377 /nfs/dbraw/zinc/62/43/77/553624377.db2.gz XHMQOWAGHDZMTA-UHFFFAOYSA-N 2 1 501.674 5.792 40 0 KKABMP COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000085814874 553686738 /nfs/dbraw/zinc/68/67/38/553686738.db2.gz BURJAQFYNVMZDV-IOWSJCHKSA-N 2 1 610.751 6.459 40 0 KKABMP COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1)[N@H+](C)CC2 ZINC000085814874 553686743 /nfs/dbraw/zinc/68/67/43/553686743.db2.gz BURJAQFYNVMZDV-IOWSJCHKSA-N 2 1 610.751 6.459 40 0 KKABMP COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1)[N@@H+](C)CC2 ZINC000085814874 553686746 /nfs/dbraw/zinc/68/67/46/553686746.db2.gz BURJAQFYNVMZDV-IOWSJCHKSA-N 2 1 610.751 6.459 40 0 KKABMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)C[NH+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000095627889 553706359 /nfs/dbraw/zinc/70/63/59/553706359.db2.gz NMDYYWFGPIMTKO-HBVLKOHWSA-N 2 1 816.943 5.079 40 0 in-man KKABMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)C[N@H+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000095627889 553706362 /nfs/dbraw/zinc/70/63/62/553706362.db2.gz NMDYYWFGPIMTKO-HBVLKOHWSA-N 2 1 816.943 5.079 40 0 in-man KKABMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)C[N@@H+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000095627889 553706364 /nfs/dbraw/zinc/70/63/64/553706364.db2.gz NMDYYWFGPIMTKO-HBVLKOHWSA-N 2 1 816.943 5.079 40 0 in-man KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)ccc3O)cc1)[N@@H+](C)CC2 ZINC000028391654 561922316 /nfs/dbraw/zinc/92/23/16/561922316.db2.gz AQASRZOCERRGBL-ZWXJPIIXSA-N 2 1 624.778 6.762 40 0 KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)ccc3O)cc1)[NH+](C)CC2 ZINC000028391654 561922317 /nfs/dbraw/zinc/92/23/17/561922317.db2.gz AQASRZOCERRGBL-ZWXJPIIXSA-N 2 1 624.778 6.762 40 0 KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)ccc3O)cc1)[NH+](C)CC2 ZINC000028391654 561922318 /nfs/dbraw/zinc/92/23/18/561922318.db2.gz AQASRZOCERRGBL-ZWXJPIIXSA-N 2 1 624.778 6.762 40 0 KKABMP c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)[nH]c3nc[nH+]c(NCC4SCCS4)c32)cc1 ZINC000038246580 562070648 /nfs/dbraw/zinc/07/06/48/562070648.db2.gz ZJLXSIPWULUCRJ-UHFFFAOYSA-N 2 1 517.724 5.985 40 0 KKABMP O=C(NCCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(C[NH+]2CCc3ccccc3C2)cc1 ZINC000105584561 571407634 /nfs/dbraw/zinc/40/76/34/571407634.db2.gz MAJKULBXFPXJMD-UHFFFAOYSA-N 2 1 572.753 5.353 40 0 KKABMP c1ccc(CC[N@H+]2[C@@H](c3ccccc3)C[C@@H]([NH2+]Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000106586652 571413039 /nfs/dbraw/zinc/41/30/39/571413039.db2.gz MTFXVXUBNOYWNP-SIMZDOAPSA-N 2 1 522.736 8.360 40 0 KKABMP CCC1=C[C@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@@]1(C2)c2cc3c(cc2OC2OC1O2)N(C)[C@H]1[C@@]32CC[NH+]3CC=C[C@@](CC)([C@@H]32)[C@H](CC(C)=O)[C@@]1(O)C(=O)OC ZINC000584577226 1070977753 /nfs/dbraw/zinc/97/77/53/1070977753.db2.gz ICAVKYWRQXJTQY-DERRHAGRSA-N 2 1 760.932 5.285 40 0 KKABMP CCC1=C[C@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@@]1(C2)c2cc3c(cc2OC2OC1O2)N(C)[C@H]1[C@@]32CC[N@@H+]3CC=C[C@@](CC)([C@@H]32)[C@H](CC(C)=O)[C@@]1(O)C(=O)OC ZINC000584577226 1070977760 /nfs/dbraw/zinc/97/77/60/1070977760.db2.gz ICAVKYWRQXJTQY-DERRHAGRSA-N 2 1 760.932 5.285 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)cc1OC ZINC000585270571 1071018252 /nfs/dbraw/zinc/01/82/52/1071018252.db2.gz FTLUHJUCQJWRTM-UHFFFAOYSA-N 2 1 528.093 5.637 40 0 KKABMP COc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585272219 1071021022 /nfs/dbraw/zinc/02/10/22/1071021022.db2.gz QYXHKHXYQOMXNF-UHFFFAOYSA-N 2 1 528.093 5.345 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)c1 ZINC000585271718 1071021677 /nfs/dbraw/zinc/02/16/77/1071021677.db2.gz NHUYHFJRXYOMLN-UHFFFAOYSA-N 2 1 512.094 5.591 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cc[nH+]c1C ZINC000585270103 1071020766 /nfs/dbraw/zinc/02/07/66/1071020766.db2.gz BUTFBEFNHAGAKS-MHZLTWQESA-N 2 1 534.484 5.382 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cc[nH+]c1C ZINC000585270103 1071020786 /nfs/dbraw/zinc/02/07/86/1071020786.db2.gz BUTFBEFNHAGAKS-MHZLTWQESA-N 2 1 534.484 5.382 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585271901 1071026733 /nfs/dbraw/zinc/02/67/33/1071026733.db2.gz PXDVZIXZKSPNMI-GDLZYMKVSA-N 2 1 528.093 5.209 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585271901 1071026739 /nfs/dbraw/zinc/02/67/39/1071026739.db2.gz PXDVZIXZKSPNMI-GDLZYMKVSA-N 2 1 528.093 5.209 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585272631 1071027625 /nfs/dbraw/zinc/02/76/25/1071027625.db2.gz UXLSKXHMUDFSAA-MUUNZHRXSA-N 2 1 548.511 5.772 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585272631 1071027633 /nfs/dbraw/zinc/02/76/33/1071027633.db2.gz UXLSKXHMUDFSAA-MUUNZHRXSA-N 2 1 548.511 5.772 40 0 KKABMP COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2cccc(OCCCn3cc[nH+]c3C)c2)CC1 ZINC000585273541 1071032944 /nfs/dbraw/zinc/03/29/44/1071032944.db2.gz PHASCTGXNVCFHS-UHFFFAOYSA-N 2 1 518.485 6.027 40 0 KKABMP COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCCn3cc[nH+]c3C)cc2)CC1 ZINC000585273396 1071033666 /nfs/dbraw/zinc/03/36/66/1071033666.db2.gz NLXSKAGOWICYAX-UHFFFAOYSA-N 2 1 518.485 6.027 40 0 KKABMP Cc1[nH+]ccn1CCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273450 1071034316 /nfs/dbraw/zinc/03/43/16/1071034316.db2.gz RKYROOTXNXFNTL-SANMLTNESA-N 2 1 504.458 5.373 40 0 KKABMP Cc1[nH+]ccn1CCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273450 1071034326 /nfs/dbraw/zinc/03/43/26/1071034326.db2.gz RKYROOTXNXFNTL-SANMLTNESA-N 2 1 504.458 5.373 40 0 KKABMP Cc1cc(OCC2(O)CC[NH+](Cc3ccc(OCCn4cc[nH+]c4C(C)C)cc3)CC2)cc(C)c1Cl ZINC000585280966 1071037021 /nfs/dbraw/zinc/03/70/21/1071037021.db2.gz UNCNSMRUTNBJSX-UHFFFAOYSA-N 2 1 512.094 5.762 40 0 KKABMP Cc1cc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCCn4cc[nH+]c4C(C)C)cc3)C2)cc(C)c1Cl ZINC000585279659 1071037673 /nfs/dbraw/zinc/03/76/73/1071037673.db2.gz FKNNRVHCKKDXHG-LJAQVGFWSA-N 2 1 512.094 5.762 40 0 KKABMP Cc1cc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCCn4cc[nH+]c4C(C)C)cc3)C2)cc(C)c1Cl ZINC000585279659 1071037683 /nfs/dbraw/zinc/03/76/83/1071037683.db2.gz FKNNRVHCKKDXHG-LJAQVGFWSA-N 2 1 512.094 5.762 40 0 KKABMP CC[N@H+]1CCCC[C@@H]1CCOc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000585293284 1071043429 /nfs/dbraw/zinc/04/34/29/1071043429.db2.gz DUNVVTLBUSCICP-GDLZYMKVSA-N 2 1 604.195 6.240 40 0 KKABMP COc1ccc(CC2c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CC[NH+]5C)ccc4O)c(OC)cc3CC[N@@H+]2C)cc1 ZINC001560406188 1073194928 /nfs/dbraw/zinc/19/49/28/1073194928.db2.gz IBBXNYKVBGDJGY-JGCGQSQUSA-N 2 1 623.770 6.601 40 0 KKABMP COc1ccc(CC2c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CC[N@H+]5C)ccc4O)c(OC)cc3CC[NH+]2C)cc1 ZINC001560406188 1073194931 /nfs/dbraw/zinc/19/49/31/1073194931.db2.gz IBBXNYKVBGDJGY-JGCGQSQUSA-N 2 1 623.770 6.601 40 0 KKABMP COc1ccc(CC2c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CC[N@@H+]5C)ccc4O)c(OC)cc3CC[NH+]2C)cc1 ZINC001560406188 1073194939 /nfs/dbraw/zinc/19/49/39/1073194939.db2.gz IBBXNYKVBGDJGY-JGCGQSQUSA-N 2 1 623.770 6.601 40 0 KKABMP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000044281044 554301469 /nfs/dbraw/zinc/30/14/69/554301469.db2.gz ANOXEUSGZWSCQL-LOYHVIPDSA-N 2 1 622.762 7.162 40 0 biogenic,in-vitro KKABMP OC[C@@H]1CSCC[N@@H+](Cc2ccc3cccc(O)c3n2)CCSCC[NH+](Cc2ccc3cccc(O)c3n2)CCS1 ZINC000100527734 554410245 /nfs/dbraw/zinc/41/02/45/554410245.db2.gz BUNNXZUHAADYOK-HHHXNRCGSA-N 2 1 610.871 5.073 40 0 KKABMP OC[C@@H]1CSCC[NH+](Cc2ccc3cccc(O)c3n2)CCSCC[N@@H+](Cc2ccc3cccc(O)c3n2)CCS1 ZINC000100527734 554410250 /nfs/dbraw/zinc/41/02/50/554410250.db2.gz BUNNXZUHAADYOK-HHHXNRCGSA-N 2 1 610.871 5.073 40 0 KKABMP Cc1[nH+]ccn1C[C@@H]1CCc2c(c3cc(Cc4ccc5c(c4)c4c(n5C)CC[C@@H](Cn5cc[nH+]c5C)C4=O)ccc3n2C)C1=O ZINC000067665269 554533638 /nfs/dbraw/zinc/53/36/38/554533638.db2.gz JTVFJNKLNVONRS-SVBPBHIXSA-N 2 1 598.751 6.161 40 0 in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000247343485 572241845 /nfs/dbraw/zinc/24/18/45/572241845.db2.gz SWLDQINDYHXMNR-SYBRLPANSA-N 2 1 624.734 6.634 40 0 KKABMP CCc1cccc2c(C[N@@H+]3CCC[C@](COc4ccc(Cl)c(C)c4)(CC(=O)N4CC[NH+](C)CC4)C3)cn(C)c21 ZINC000257216690 572307881 /nfs/dbraw/zinc/30/78/81/572307881.db2.gz CVRXBBZFTDILPO-YTTGMZPUSA-N 2 1 551.175 5.528 40 0 KKABMP CCc1cccc2c(C[N@H+]3CCC[C@](COc4ccc(Cl)c(C)c4)(CC(=O)N4CC[NH+](C)CC4)C3)cn(C)c21 ZINC000257216690 572307882 /nfs/dbraw/zinc/30/78/82/572307882.db2.gz CVRXBBZFTDILPO-YTTGMZPUSA-N 2 1 551.175 5.528 40 0 KKABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000257313941 572317160 /nfs/dbraw/zinc/31/71/60/572317160.db2.gz UUTCYRVVHAOKAU-MHZLTWQESA-N 2 1 538.054 5.493 40 0 KKABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000257313941 572317161 /nfs/dbraw/zinc/31/71/61/572317161.db2.gz UUTCYRVVHAOKAU-MHZLTWQESA-N 2 1 538.054 5.493 40 0 KKABMP CCCc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)o1 ZINC000257318667 572317677 /nfs/dbraw/zinc/31/76/77/572317677.db2.gz VOYGMGZHZFWQRK-MUUNZHRXSA-N 2 1 502.099 5.019 40 0 KKABMP CCCc1ccc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)o1 ZINC000257318667 572317678 /nfs/dbraw/zinc/31/76/78/572317678.db2.gz VOYGMGZHZFWQRK-MUUNZHRXSA-N 2 1 502.099 5.019 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OC ZINC000585272225 1071020337 /nfs/dbraw/zinc/02/03/37/1071020337.db2.gz RDRAMBIMARZMRG-UHFFFAOYSA-N 2 1 528.093 5.209 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)c1 ZINC000585271638 1071023579 /nfs/dbraw/zinc/02/35/79/1071023579.db2.gz BEBCMAKHUHFERA-LJAQVGFWSA-N 2 1 512.094 5.672 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)c1 ZINC000585271638 1071023583 /nfs/dbraw/zinc/02/35/83/1071023583.db2.gz BEBCMAKHUHFERA-LJAQVGFWSA-N 2 1 512.094 5.672 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272230 1071024197 /nfs/dbraw/zinc/02/41/97/1071024197.db2.gz RHZXRLRQLZRIOD-GDLZYMKVSA-N 2 1 562.538 6.026 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272230 1071024211 /nfs/dbraw/zinc/02/42/11/1071024211.db2.gz RHZXRLRQLZRIOD-GDLZYMKVSA-N 2 1 562.538 6.026 40 0 KKABMP COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585271157 1071025402 /nfs/dbraw/zinc/02/54/02/1071025402.db2.gz KLOKUFJGOGBBHT-UHFFFAOYSA-N 2 1 548.511 6.036 40 0 KKABMP COc1cc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585273295 1071029997 /nfs/dbraw/zinc/02/99/97/1071029997.db2.gz ZDBGPLKEEPUKFQ-UHFFFAOYSA-N 2 1 514.066 5.037 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585272604 1071027469 /nfs/dbraw/zinc/02/74/69/1071027469.db2.gz UGWCOFIIWGEWQI-LJAQVGFWSA-N 2 1 528.093 5.345 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585272604 1071027477 /nfs/dbraw/zinc/02/74/77/1071027477.db2.gz UGWCOFIIWGEWQI-LJAQVGFWSA-N 2 1 528.093 5.345 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585272601 1071028029 /nfs/dbraw/zinc/02/80/29/1071028029.db2.gz UGWCOFIIWGEWQI-GDLZYMKVSA-N 2 1 528.093 5.345 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585272601 1071028034 /nfs/dbraw/zinc/02/80/34/1071028034.db2.gz UGWCOFIIWGEWQI-GDLZYMKVSA-N 2 1 528.093 5.345 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCCn1cc[nH+]c1C ZINC000585272721 1071028407 /nfs/dbraw/zinc/02/84/07/1071028407.db2.gz WBOMSCBLJKUOAZ-MUUNZHRXSA-N 2 1 514.066 5.037 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCCn1cc[nH+]c1C ZINC000585272721 1071028411 /nfs/dbraw/zinc/02/84/11/1071028411.db2.gz WBOMSCBLJKUOAZ-MUUNZHRXSA-N 2 1 514.066 5.037 40 0 KKABMP CC(C)[NH+](CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1)C(C)C ZINC000585274171 1071031677 /nfs/dbraw/zinc/03/16/77/1071031677.db2.gz XBPMHMGBDAQQAE-MUUNZHRXSA-N 2 1 523.545 6.287 40 0 KKABMP Cc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585273394 1071033815 /nfs/dbraw/zinc/03/38/15/1071033815.db2.gz NHVDNOAOBKLIHQ-UHFFFAOYSA-N 2 1 504.458 5.373 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[NH+]2CCC(Nc3nc(C)nc4sc(C)cc43)CC2)c1 ZINC000585292642 1071045010 /nfs/dbraw/zinc/04/50/10/1071045010.db2.gz LXSVYSIEICPBTN-UHFFFAOYSA-N 2 1 504.704 5.613 40 0 KKABMP CC[N@H+]1CCCC[C@H]1CCOc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000585293738 1071047100 /nfs/dbraw/zinc/04/71/00/1071047100.db2.gz LKSZDLGSYDHCHM-SANMLTNESA-N 2 1 622.185 6.379 40 0 KKABMP COc1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)cc1Cn1cc[nH+]c1C ZINC000585293015 1071047141 /nfs/dbraw/zinc/04/71/41/1071047141.db2.gz RHDSJOWBMKODPQ-UHFFFAOYSA-N 2 1 532.714 5.181 40 0 KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1)[N@@H+](C)CC2 ZINC000004782910 552481572 /nfs/dbraw/zinc/48/15/72/552481572.db2.gz AQASRZOCERRGBL-AJQTZOPKSA-N 2 1 624.778 6.762 40 0 biogenic,in-vitro KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000004782910 552481575 /nfs/dbraw/zinc/48/15/75/552481575.db2.gz AQASRZOCERRGBL-AJQTZOPKSA-N 2 1 624.778 6.762 40 0 biogenic,in-vitro KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000004782910 552481576 /nfs/dbraw/zinc/48/15/76/552481576.db2.gz AQASRZOCERRGBL-AJQTZOPKSA-N 2 1 624.778 6.762 40 0 biogenic,in-vitro KKABMP FC(F)(F)c1ccc2c(c1)N(CCC[NH+]1CCN(CC[NH+]3CCCCC3)CC1)c1ccccc1S2 ZINC000019366288 553614144 /nfs/dbraw/zinc/61/41/44/553614144.db2.gz ZPBNZKWNUNRBDE-UHFFFAOYSA-N 2 1 504.666 5.802 40 0 KKABMP COc1cc2c(cc1OC)[C@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4Cc3ccc(O)cc3)c1)[NH+](C)CC2 ZINC000206658454 565205134 /nfs/dbraw/zinc/20/51/34/565205134.db2.gz XCUCMLUTCAKSOZ-JSOSNVBQSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c(cc1OC)[C@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4Cc3ccc(O)cc3)c1)[N@H+](C)CC2 ZINC000206658454 565205141 /nfs/dbraw/zinc/20/51/41/565205141.db2.gz XCUCMLUTCAKSOZ-JSOSNVBQSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c(cc1OC)[C@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4Cc3ccc(O)cc3)c1)[N@@H+](C)CC2 ZINC000206658454 565205144 /nfs/dbraw/zinc/20/51/44/565205144.db2.gz XCUCMLUTCAKSOZ-JSOSNVBQSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c(cc1O)[C@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000136672506 571449651 /nfs/dbraw/zinc/44/96/51/571449651.db2.gz BURJAQFYNVMZDV-JSOSNVBQSA-N 2 1 610.751 6.459 40 0 KKABMP C[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](COc2cc3c(cc2Cc2cc4c(cc2OC[C@H]2C[N@@H+](C)CC[C@H]2c2ccc(F)cc2)OCO4)OCO3)C1 ZINC000150339154 571457335 /nfs/dbraw/zinc/45/73/35/571457335.db2.gz POGYWSATHPJUHO-KKHOLXDPSA-N 2 1 698.807 7.242 40 0 in-vitro KKABMP C[NH+]1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2cc3c(cc2Cc2cc4c(cc2OC[C@@H]2C[N@H+](C)CC[C@@H]2c2ccc(F)cc2)OCO4)OCO3)C1 ZINC000150339154 571457337 /nfs/dbraw/zinc/45/73/37/571457337.db2.gz POGYWSATHPJUHO-KKHOLXDPSA-N 2 1 698.807 7.242 40 0 in-vitro KKABMP C[NH+]1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2cc3c(cc2Cc2cc4c(cc2OC[C@@H]2C[N@@H+](C)CC[C@@H]2c2ccc(F)cc2)OCO4)OCO3)C1 ZINC000150339154 571457339 /nfs/dbraw/zinc/45/73/39/571457339.db2.gz POGYWSATHPJUHO-KKHOLXDPSA-N 2 1 698.807 7.242 40 0 in-vitro KKABMP Cc1cc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000257202438 572306604 /nfs/dbraw/zinc/30/66/04/572306604.db2.gz ALUCUSBBOHCNHD-HHHXNRCGSA-N 2 1 504.140 5.152 40 0 KKABMP Cc1cc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000257202438 572306605 /nfs/dbraw/zinc/30/66/05/572306605.db2.gz ALUCUSBBOHCNHD-HHHXNRCGSA-N 2 1 504.140 5.152 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585270041 1071021919 /nfs/dbraw/zinc/02/19/19/1071021919.db2.gz BAJLUUXKZXSSPE-GDLZYMKVSA-N 2 1 528.093 5.291 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585270041 1071021931 /nfs/dbraw/zinc/02/19/31/1071021931.db2.gz BAJLUUXKZXSSPE-GDLZYMKVSA-N 2 1 528.093 5.291 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270081 1071022128 /nfs/dbraw/zinc/02/21/28/1071022128.db2.gz BPKZJBWVMTTWBZ-PMERELPUSA-N 2 1 507.675 5.428 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270081 1071022149 /nfs/dbraw/zinc/02/21/49/1071022149.db2.gz BPKZJBWVMTTWBZ-PMERELPUSA-N 2 1 507.675 5.428 40 0 KKABMP COc1ccc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585271813 1071022959 /nfs/dbraw/zinc/02/29/59/1071022959.db2.gz OSYYAQCRCVZGGW-UHFFFAOYSA-N 2 1 507.675 5.346 40 0 KKABMP COCC[N@H+](Cc1ccc(OCC[NH+]2CCC(C)CC2)c(OC)c1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271235 1071025282 /nfs/dbraw/zinc/02/52/82/1071025282.db2.gz DPHWDQLTXVJTRI-MUUNZHRXSA-N 2 1 559.751 5.423 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OC ZINC000585272372 1071029305 /nfs/dbraw/zinc/02/93/05/1071029305.db2.gz SPLZEGKZETYXNC-UHFFFAOYSA-N 2 1 514.066 5.247 40 0 KKABMP Cc1[nH+]ccn1CCCOc1cccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585274569 1071031187 /nfs/dbraw/zinc/03/11/87/1071031187.db2.gz WVSPFWKBQWSLQF-UHFFFAOYSA-N 2 1 504.458 5.373 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272249 1071028447 /nfs/dbraw/zinc/02/84/47/1071028447.db2.gz RNSWWMJXJTXWIC-MUUNZHRXSA-N 2 1 548.511 5.636 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272249 1071028453 /nfs/dbraw/zinc/02/84/53/1071028453.db2.gz RNSWWMJXJTXWIC-MUUNZHRXSA-N 2 1 548.511 5.636 40 0 KKABMP Cc1[nH+]ccn1CCOc1cccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)c1 ZINC000585291853 1071040483 /nfs/dbraw/zinc/04/04/83/1071040483.db2.gz FDACWNSHXYRJHD-UHFFFAOYSA-N 2 1 532.714 5.203 40 0 KKABMP CC[N@H+]1CCCC[C@H]1CCOc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000585293286 1071043405 /nfs/dbraw/zinc/04/34/05/1071043405.db2.gz DUNVVTLBUSCICP-LJAQVGFWSA-N 2 1 604.195 6.240 40 0 KKABMP COc1ccc2cc(S(=O)(=O)NC[C@@H](C(=O)NC(=O)[C@@H](Cc3ccc(C[N@@H+]4[C@H](C)CCC[C@@H]4C)cc3)[NH+](C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1 ZINC001560403785 1073193966 /nfs/dbraw/zinc/19/39/66/1073193966.db2.gz ARXIHTKTVJGPBR-WSCVWKGISA-N 2 1 756.966 5.996 40 0 KKABMP COc1ccc2cc(S(=O)(=O)NC[C@@H](C(=O)NC(=O)[C@@H](Cc3ccc(C[NH+]4[C@H](C)CCC[C@@H]4C)cc3)[N@H+](C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1 ZINC001560403785 1073193973 /nfs/dbraw/zinc/19/39/73/1073193973.db2.gz ARXIHTKTVJGPBR-WSCVWKGISA-N 2 1 756.966 5.996 40 0 KKABMP COc1ccc2cc(S(=O)(=O)NC[C@@H](C(=O)NC(=O)[C@@H](Cc3ccc(C[NH+]4[C@H](C)CCC[C@@H]4C)cc3)[N@@H+](C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1 ZINC001560403785 1073193976 /nfs/dbraw/zinc/19/39/76/1073193976.db2.gz ARXIHTKTVJGPBR-WSCVWKGISA-N 2 1 756.966 5.996 40 0 KKABMP CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000004995241 552491644 /nfs/dbraw/zinc/49/16/44/552491644.db2.gz FUMCCVPXFNXOKW-ZIAHQWSDSA-N 2 1 627.826 5.752 40 0 KKABMP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000070454738 553593909 /nfs/dbraw/zinc/59/39/09/553593909.db2.gz ANOXEUSGZWSCQL-RNPORBBMSA-N 2 1 622.762 7.162 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@H+](C)CC2)CC[NH+]1C ZINC000070454738 553593912 /nfs/dbraw/zinc/59/39/12/553593912.db2.gz ANOXEUSGZWSCQL-RNPORBBMSA-N 2 1 622.762 7.162 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@@H+](C)CC2)CC[NH+]1C ZINC000070454738 553593914 /nfs/dbraw/zinc/59/39/14/553593914.db2.gz ANOXEUSGZWSCQL-RNPORBBMSA-N 2 1 622.762 7.162 40 0 biogenic,in-vitro KKABMP COc1ccccc1C[NH+](Cc1ccccc1OC)C[C@@H]1C=C(C)[C@H](Cc2nc3cccc(C)c3[nH]2)C[C@H]1C(C)C ZINC000077262092 553655237 /nfs/dbraw/zinc/65/52/37/553655237.db2.gz ZDQRMYHRUPZHQB-CHQNGUEUSA-N 2 1 551.775 7.988 40 0 biogenic,in-vitro KKABMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)C[NH+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000085537078 553682771 /nfs/dbraw/zinc/68/27/71/553682771.db2.gz NMDYYWFGPIMTKO-KLCPSUAYSA-N 2 1 816.943 5.079 40 0 world KKABMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)C[N@H+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000085537078 553682774 /nfs/dbraw/zinc/68/27/74/553682774.db2.gz NMDYYWFGPIMTKO-KLCPSUAYSA-N 2 1 816.943 5.079 40 0 world KKABMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)C[N@@H+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000085537078 553682776 /nfs/dbraw/zinc/68/27/76/553682776.db2.gz NMDYYWFGPIMTKO-KLCPSUAYSA-N 2 1 816.943 5.079 40 0 world KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000085541034 553683182 /nfs/dbraw/zinc/68/31/82/553683182.db2.gz IIQSJHUEZBTSAT-WDYNHAJCSA-N 2 1 608.735 6.859 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000085541034 553683184 /nfs/dbraw/zinc/68/31/84/553683184.db2.gz IIQSJHUEZBTSAT-WDYNHAJCSA-N 2 1 608.735 6.859 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000085541034 553683187 /nfs/dbraw/zinc/68/31/87/553683187.db2.gz IIQSJHUEZBTSAT-WDYNHAJCSA-N 2 1 608.735 6.859 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000085541034 553683189 /nfs/dbraw/zinc/68/31/89/553683189.db2.gz IIQSJHUEZBTSAT-WDYNHAJCSA-N 2 1 608.735 6.859 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)[N@@H+](C)CC3 ZINC000085835870 553687203 /nfs/dbraw/zinc/68/72/03/553687203.db2.gz JFOOZQIJNIJCOW-WDYNHAJCSA-N 2 1 638.761 6.829 40 0 biogenic KKABMP COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CC[N@H+]5C)ccc4O)c(OC)cc3CC[NH+]2C)cc1 ZINC000042806008 554296741 /nfs/dbraw/zinc/29/67/41/554296741.db2.gz AJPXZTKPPINUKN-FIRIVFDPSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CC[N@@H+]5C)ccc4O)c(OC)cc3CC[NH+]2C)cc1 ZINC000042806008 554296745 /nfs/dbraw/zinc/29/67/45/554296745.db2.gz AJPXZTKPPINUKN-FIRIVFDPSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CC[NH+]5C)ccc4O)c(OC)cc3CC[N@@H+]2C)cc1 ZINC000042806008 554296736 /nfs/dbraw/zinc/29/67/36/554296736.db2.gz AJPXZTKPPINUKN-FIRIVFDPSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2 ZINC000057681178 554364279 /nfs/dbraw/zinc/36/42/79/554364279.db2.gz LFFQVHXIFJLJSP-WUFINQPMSA-N 2 1 594.708 6.556 40 0 in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[NH+](C)CC2 ZINC000057681178 554364274 /nfs/dbraw/zinc/36/42/74/554364274.db2.gz LFFQVHXIFJLJSP-WUFINQPMSA-N 2 1 594.708 6.556 40 0 in-vitro KKABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000257313940 572317113 /nfs/dbraw/zinc/31/71/13/572317113.db2.gz UUTCYRVVHAOKAU-HHHXNRCGSA-N 2 1 538.054 5.493 40 0 KKABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000257313940 572317115 /nfs/dbraw/zinc/31/71/15/572317115.db2.gz UUTCYRVVHAOKAU-HHHXNRCGSA-N 2 1 538.054 5.493 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OC ZINC000585272154 1071017889 /nfs/dbraw/zinc/01/78/89/1071017889.db2.gz QDLCMTMNXIFCQT-UHFFFAOYSA-N 2 1 548.511 5.900 40 0 KKABMP COc1cc(C[N@@H+](CCCO)C[C@H](O)Cn2c3ccccc3c3ccccc32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585270901 1071017988 /nfs/dbraw/zinc/01/79/88/1071017988.db2.gz CHBFCLFLKQRWSS-NDEPHWFRSA-N 2 1 559.751 5.159 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585270202 1071021119 /nfs/dbraw/zinc/02/11/19/1071021119.db2.gz CVXPFORPOPYFMU-PMERELPUSA-N 2 1 542.120 5.599 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585270202 1071021140 /nfs/dbraw/zinc/02/11/40/1071021140.db2.gz CVXPFORPOPYFMU-PMERELPUSA-N 2 1 542.120 5.599 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585270225 1071021835 /nfs/dbraw/zinc/02/18/35/1071021835.db2.gz DCTZQBDLJWDPPS-LJAQVGFWSA-N 2 1 528.093 5.345 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585270225 1071021850 /nfs/dbraw/zinc/02/18/50/1071021850.db2.gz DCTZQBDLJWDPPS-LJAQVGFWSA-N 2 1 528.093 5.345 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270083 1071022045 /nfs/dbraw/zinc/02/20/45/1071022045.db2.gz BPKZJBWVMTTWBZ-SSEXGKCCSA-N 2 1 507.675 5.428 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270083 1071022066 /nfs/dbraw/zinc/02/20/66/1071022066.db2.gz BPKZJBWVMTTWBZ-SSEXGKCCSA-N 2 1 507.675 5.428 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585270043 1071022278 /nfs/dbraw/zinc/02/22/78/1071022278.db2.gz BAJLUUXKZXSSPE-LJAQVGFWSA-N 2 1 528.093 5.291 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585270043 1071022298 /nfs/dbraw/zinc/02/22/98/1071022298.db2.gz BAJLUUXKZXSSPE-LJAQVGFWSA-N 2 1 528.093 5.291 40 0 KKABMP Cc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585271811 1071023598 /nfs/dbraw/zinc/02/35/98/1071023598.db2.gz CWFGNSTWTGKUJI-HHHXNRCGSA-N 2 1 518.485 5.763 40 0 KKABMP Cc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585271811 1071023611 /nfs/dbraw/zinc/02/36/11/1071023611.db2.gz CWFGNSTWTGKUJI-HHHXNRCGSA-N 2 1 518.485 5.763 40 0 KKABMP Cc1cc(C)n(CCOc2ccc(C[NH2+][C@@H]3CCC[C@H]4[N@@H+](C)[C@@H](c5ccccc5)C[C@@]4(C)[C@H]3O)cc2)n1 ZINC000585271181 1071025417 /nfs/dbraw/zinc/02/54/17/1071025417.db2.gz SVJHOSSNDSSLJX-NZUWZFMJSA-N 2 1 502.703 5.034 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCCn1cc[nH+]c1C ZINC000585272724 1071028672 /nfs/dbraw/zinc/02/86/72/1071028672.db2.gz WBOMSCBLJKUOAZ-NDEPHWFRSA-N 2 1 514.066 5.037 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCCn1cc[nH+]c1C ZINC000585272724 1071028682 /nfs/dbraw/zinc/02/86/82/1071028682.db2.gz WBOMSCBLJKUOAZ-NDEPHWFRSA-N 2 1 514.066 5.037 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1OC ZINC000585272349 1071029141 /nfs/dbraw/zinc/02/91/41/1071029141.db2.gz SJBQFPVEMJKWPJ-PMERELPUSA-N 2 1 507.675 5.028 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1OC ZINC000585272349 1071029149 /nfs/dbraw/zinc/02/91/49/1071029149.db2.gz SJBQFPVEMJKWPJ-PMERELPUSA-N 2 1 507.675 5.028 40 0 KKABMP Cc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585274227 1071031204 /nfs/dbraw/zinc/03/12/04/1071031204.db2.gz UOTYXUOYJFKNGG-SANMLTNESA-N 2 1 504.458 5.373 40 0 KKABMP Cc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585274227 1071031211 /nfs/dbraw/zinc/03/12/11/1071031211.db2.gz UOTYXUOYJFKNGG-SANMLTNESA-N 2 1 504.458 5.373 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1OC ZINC000585272418 1071029480 /nfs/dbraw/zinc/02/94/80/1071029480.db2.gz SYFYDNLJQOTZIH-UHFFFAOYSA-N 2 1 507.675 5.210 40 0 KKABMP COc1ccc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585273286 1071030076 /nfs/dbraw/zinc/03/00/76/1071030076.db2.gz ZBPOZESLVYAGLK-UHFFFAOYSA-N 2 1 514.066 5.383 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585272832 1071027875 /nfs/dbraw/zinc/02/78/75/1071027875.db2.gz XJBAADVXTQZVBM-SSEXGKCCSA-N 2 1 507.675 5.082 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585272832 1071027883 /nfs/dbraw/zinc/02/78/83/1071027883.db2.gz XJBAADVXTQZVBM-SSEXGKCCSA-N 2 1 507.675 5.082 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585272842 1071027908 /nfs/dbraw/zinc/02/79/08/1071027908.db2.gz XOQWLQDYSGKMPI-LJAQVGFWSA-N 2 1 511.638 5.122 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585272842 1071027914 /nfs/dbraw/zinc/02/79/14/1071027914.db2.gz XOQWLQDYSGKMPI-LJAQVGFWSA-N 2 1 511.638 5.122 40 0 KKABMP Cc1cc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCC[NH+](C(C)C)C(C)C)cc3)C2)cc(C)c1Cl ZINC000585272076 1071032362 /nfs/dbraw/zinc/03/23/62/1071032362.db2.gz LCGOTAURACHRIF-GDLZYMKVSA-N 2 1 503.127 5.860 40 0 KKABMP COc1cc2c(cc1OC)[C@@H](CC1=C(c3ccccc3)C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C1)[NH2+]CC2 ZINC000001721521 551690650 /nfs/dbraw/zinc/69/06/50/551690650.db2.gz SKPRLNUWCGPXAF-WDYNHAJCSA-N 2 1 526.677 5.755 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)C[N@@H+](C)[C@H](C2)C5)OCO4)CC[NH+]1C ZINC000100225661 554252935 /nfs/dbraw/zinc/25/29/35/554252935.db2.gz PJTHAYICCMHLCE-PXJZQJOASA-N 2 1 606.719 6.701 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)C[NH+](C)[C@H](C2)C5)OCO4)CC[N@H+]1C ZINC000100225661 554252938 /nfs/dbraw/zinc/25/29/38/554252938.db2.gz PJTHAYICCMHLCE-PXJZQJOASA-N 2 1 606.719 6.701 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)C[NH+](C)[C@H](C2)C5)OCO4)CC[N@@H+]1C ZINC000100225661 554252941 /nfs/dbraw/zinc/25/29/41/554252941.db2.gz PJTHAYICCMHLCE-PXJZQJOASA-N 2 1 606.719 6.701 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@H+](C)[C@@H]5C2)OCO4)CC[NH+]1C ZINC000038147300 554270119 /nfs/dbraw/zinc/27/01/19/554270119.db2.gz YVPXVXANRNDGTA-FQLXRVMXSA-N 2 1 606.719 6.874 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)[C@@H]5C2)OCO4)CC[N@H+]1C ZINC000038147300 554270122 /nfs/dbraw/zinc/27/01/22/554270122.db2.gz YVPXVXANRNDGTA-FQLXRVMXSA-N 2 1 606.719 6.874 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)[C@@H]5C2)OCO4)CC[N@@H+]1C ZINC000038147300 554270126 /nfs/dbraw/zinc/27/01/26/554270126.db2.gz YVPXVXANRNDGTA-FQLXRVMXSA-N 2 1 606.719 6.874 40 0 KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2 ZINC000040163548 554282728 /nfs/dbraw/zinc/28/27/28/554282728.db2.gz XGEAUXVPBXUBKN-VSGBNLITSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2 ZINC000040163548 554282735 /nfs/dbraw/zinc/28/27/35/554282735.db2.gz XGEAUXVPBXUBKN-VSGBNLITSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2 ZINC000040163548 554282725 /nfs/dbraw/zinc/28/27/25/554282725.db2.gz XGEAUXVPBXUBKN-VSGBNLITSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2 ZINC000040163548 554282733 /nfs/dbraw/zinc/28/27/33/554282733.db2.gz XGEAUXVPBXUBKN-VSGBNLITSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c(cc1OC)[C@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4Cc3ccc(O)cc3)c1)[NH+](C)CC2 ZINC000100822678 554481228 /nfs/dbraw/zinc/48/12/28/554481228.db2.gz XCUCMLUTCAKSOZ-CONSDPRKSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c(cc1OC)[C@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4Cc3ccc(O)cc3)c1)[N@H+](C)CC2 ZINC000100822678 554481231 /nfs/dbraw/zinc/48/12/31/554481231.db2.gz XCUCMLUTCAKSOZ-CONSDPRKSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c(cc1OC)[C@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4Cc3ccc(O)cc3)c1)[N@@H+](C)CC2 ZINC000100822678 554481233 /nfs/dbraw/zinc/48/12/33/554481233.db2.gz XCUCMLUTCAKSOZ-CONSDPRKSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2 ZINC000004534118 560198561 /nfs/dbraw/zinc/19/85/61/560198561.db2.gz NGZXDRGWBULKFA-NSOVKSMOSA-N 2 1 594.708 6.556 40 0 in-vitro KKABMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2 ZINC000004534118 560198562 /nfs/dbraw/zinc/19/85/62/560198562.db2.gz NGZXDRGWBULKFA-NSOVKSMOSA-N 2 1 594.708 6.556 40 0 in-vitro KKABMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2 ZINC000004534118 560198564 /nfs/dbraw/zinc/19/85/64/560198564.db2.gz NGZXDRGWBULKFA-NSOVKSMOSA-N 2 1 594.708 6.556 40 0 in-vitro KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccccc1NC(=O)c1ccc(C(=O)Nc3ccccc3C[C@H]3c4cc(OC)c(OC)cc4CC[NH+]3C)cc1)[N@@H+](C)CC2 ZINC000150378371 571466590 /nfs/dbraw/zinc/46/65/90/571466590.db2.gz JKZKKMSAECGWSJ-LQDDJWCHSA-N 2 1 754.928 7.769 40 0 KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccccc1NC(=O)c1ccc(C(=O)Nc3ccccc3C[C@H]3c4cc(OC)c(OC)cc4CC[N@H+]3C)cc1)[NH+](C)CC2 ZINC000150378371 571466591 /nfs/dbraw/zinc/46/65/91/571466591.db2.gz JKZKKMSAECGWSJ-LQDDJWCHSA-N 2 1 754.928 7.769 40 0 KKABMP COc1cc2c(cc1OC)[C@@H](Cc1ccccc1NC(=O)c1ccc(C(=O)Nc3ccccc3C[C@H]3c4cc(OC)c(OC)cc4CC[N@@H+]3C)cc1)[NH+](C)CC2 ZINC000150378371 571466593 /nfs/dbraw/zinc/46/65/93/571466593.db2.gz JKZKKMSAECGWSJ-LQDDJWCHSA-N 2 1 754.928 7.769 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)[C@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000229967680 572174441 /nfs/dbraw/zinc/17/44/41/572174441.db2.gz SWLDQINDYHXMNR-ZORMNXRFSA-N 2 1 624.734 6.634 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)ccc1OC ZINC000585270528 1071019958 /nfs/dbraw/zinc/01/99/58/1071019958.db2.gz FASRZIIFODZWQA-SSEXGKCCSA-N 2 1 507.675 5.028 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)ccc1OC ZINC000585270528 1071019977 /nfs/dbraw/zinc/01/99/77/1071019977.db2.gz FASRZIIFODZWQA-SSEXGKCCSA-N 2 1 507.675 5.028 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585270210 1071020264 /nfs/dbraw/zinc/02/02/64/1071020264.db2.gz CWWWOIJHLUMOJT-PMERELPUSA-N 2 1 542.120 5.599 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585270210 1071020281 /nfs/dbraw/zinc/02/02/81/1071020281.db2.gz CWWWOIJHLUMOJT-PMERELPUSA-N 2 1 542.120 5.599 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585270561 1071018426 /nfs/dbraw/zinc/01/84/26/1071018426.db2.gz FSAOXUZGKFWCDY-LJAQVGFWSA-N 2 1 562.538 6.026 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585270561 1071018442 /nfs/dbraw/zinc/01/84/42/1071018442.db2.gz FSAOXUZGKFWCDY-LJAQVGFWSA-N 2 1 562.538 6.026 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585270636 1071018704 /nfs/dbraw/zinc/01/87/04/1071018704.db2.gz HLYKTZRKSWCNAJ-HKBQPEDESA-N 2 1 521.702 5.682 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585270636 1071018724 /nfs/dbraw/zinc/01/87/24/1071018724.db2.gz HLYKTZRKSWCNAJ-HKBQPEDESA-N 2 1 521.702 5.682 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585271187 1071024975 /nfs/dbraw/zinc/02/49/75/1071024975.db2.gz LHJWSSGOVHBLPV-MUUNZHRXSA-N 2 1 514.066 5.037 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585271187 1071024992 /nfs/dbraw/zinc/02/49/92/1071024992.db2.gz LHJWSSGOVHBLPV-MUUNZHRXSA-N 2 1 514.066 5.037 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585272395 1071029107 /nfs/dbraw/zinc/02/91/07/1071029107.db2.gz STTXSTKLILVHFG-GDLZYMKVSA-N 2 1 511.638 5.258 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585272395 1071029115 /nfs/dbraw/zinc/02/91/15/1071029115.db2.gz STTXSTKLILVHFG-GDLZYMKVSA-N 2 1 511.638 5.258 40 0 KKABMP Cc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585272611 1071027839 /nfs/dbraw/zinc/02/78/39/1071027839.db2.gz UNRGSXMMPZASBO-HHHXNRCGSA-N 2 1 518.485 5.763 40 0 KKABMP Cc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585272611 1071027847 /nfs/dbraw/zinc/02/78/47/1071027847.db2.gz UNRGSXMMPZASBO-HHHXNRCGSA-N 2 1 518.485 5.763 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1OC ZINC000585273324 1071033751 /nfs/dbraw/zinc/03/37/51/1071033751.db2.gz ZRUUCYGAJNPPDS-UHFFFAOYSA-N 2 1 528.093 5.291 40 0 KKABMP CC(C)c1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585280710 1071035954 /nfs/dbraw/zinc/03/59/54/1071035954.db2.gz RSTVQCSFJKMEJK-MUUNZHRXSA-N 2 1 532.512 6.188 40 0 KKABMP CC(C)c1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585280710 1071035962 /nfs/dbraw/zinc/03/59/62/1071035962.db2.gz RSTVQCSFJKMEJK-MUUNZHRXSA-N 2 1 532.512 6.188 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C2)CC[NH+]1C ZINC000085541027 553683131 /nfs/dbraw/zinc/68/31/31/553683131.db2.gz HKAAPKXOAPZXLY-IHLOFXLRSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C2)CC[N@H+]1C ZINC000085541027 553683132 /nfs/dbraw/zinc/68/31/32/553683132.db2.gz HKAAPKXOAPZXLY-IHLOFXLRSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C2)CC[N@@H+]1C ZINC000085541027 553683133 /nfs/dbraw/zinc/68/31/33/553683133.db2.gz HKAAPKXOAPZXLY-IHLOFXLRSA-N 2 1 652.788 7.171 40 0 biogenic,in-vitro KKABMP C[NH+]1C[C@@H](c2ccccc2)C(O)([C@]2(c3ccccc3)C[N@@H+](C)C[C@H](c3ccccc3)C2=O)[C@H](c2ccccc2)C1 ZINC000033838213 553974935 /nfs/dbraw/zinc/97/49/35/553974935.db2.gz MYEJTRVASCARKF-LNJACKFKSA-N 2 1 530.712 5.467 40 0 in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)[N@@H+](C)CC3 ZINC000104767718 571385876 /nfs/dbraw/zinc/38/58/76/571385876.db2.gz SWLDQINDYHXMNR-CMVGPNDKSA-N 2 1 624.734 6.634 40 0 KKABMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34C[C@H]3C=CCCCC[NH+]3[C@H]41)CCCCC=CCC2 ZINC000253777117 572302021 /nfs/dbraw/zinc/30/20/21/572302021.db2.gz FUCSLKWLLSEMDQ-IXEJJNQASA-N 2 1 548.775 6.856 40 0 KKABMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@H]3C=CCCCC[N@@H+]3[C@H]41)CCCCC=CCC2 ZINC000253777117 572302022 /nfs/dbraw/zinc/30/20/22/572302022.db2.gz FUCSLKWLLSEMDQ-IXEJJNQASA-N 2 1 548.775 6.856 40 0 KKABMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@H]3C=CCCCC[N@H+]3[C@H]41)CCCCC=CCC2 ZINC000253777117 572302023 /nfs/dbraw/zinc/30/20/23/572302023.db2.gz FUCSLKWLLSEMDQ-IXEJJNQASA-N 2 1 548.775 6.856 40 0 KKABMP CCc1cccc2c(C[N@@H+]3CCC[C@@](COc4ccc(Cl)c(C)c4)(CC(=O)N4CC[NH+](C)CC4)C3)cn(C)c21 ZINC000257216689 572307928 /nfs/dbraw/zinc/30/79/28/572307928.db2.gz CVRXBBZFTDILPO-JGCGQSQUSA-N 2 1 551.175 5.528 40 0 KKABMP CCc1cccc2c(C[N@H+]3CCC[C@@](COc4ccc(Cl)c(C)c4)(CC(=O)N4CC[NH+](C)CC4)C3)cn(C)c21 ZINC000257216689 572307929 /nfs/dbraw/zinc/30/79/29/572307929.db2.gz CVRXBBZFTDILPO-JGCGQSQUSA-N 2 1 551.175 5.528 40 0 KKABMP COc1cc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585271787 1069818207 /nfs/dbraw/zinc/81/82/07/1069818207.db2.gz OJNDYLRNHLNAFX-UHFFFAOYSA-N 2 1 528.093 5.345 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270660 1071018781 /nfs/dbraw/zinc/01/87/81/1071018781.db2.gz HWRZARWWIUHQDA-MUUNZHRXSA-N 2 1 548.511 5.772 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585270660 1071018800 /nfs/dbraw/zinc/01/88/00/1071018800.db2.gz HWRZARWWIUHQDA-MUUNZHRXSA-N 2 1 548.511 5.772 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585270223 1071022367 /nfs/dbraw/zinc/02/23/67/1071022367.db2.gz DCTZQBDLJWDPPS-GDLZYMKVSA-N 2 1 528.093 5.345 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585270223 1071022384 /nfs/dbraw/zinc/02/23/84/1071022384.db2.gz DCTZQBDLJWDPPS-GDLZYMKVSA-N 2 1 528.093 5.345 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585271783 1071023370 /nfs/dbraw/zinc/02/33/70/1071023370.db2.gz OFLPUXDPJPUOOZ-HKBQPEDESA-N 2 1 521.702 5.682 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585271783 1071023387 /nfs/dbraw/zinc/02/33/87/1071023387.db2.gz OFLPUXDPJPUOOZ-HKBQPEDESA-N 2 1 521.702 5.682 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585272399 1071029458 /nfs/dbraw/zinc/02/94/58/1071029458.db2.gz STTXSTKLILVHFG-LJAQVGFWSA-N 2 1 511.638 5.258 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OCCCn1cc[nH+]c1C ZINC000585272399 1071029460 /nfs/dbraw/zinc/02/94/60/1071029460.db2.gz STTXSTKLILVHFG-LJAQVGFWSA-N 2 1 511.638 5.258 40 0 KKABMP O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000585280460 1071036380 /nfs/dbraw/zinc/03/63/80/1071036380.db2.gz NYFQHSLGPXDKTM-HHHXNRCGSA-N 2 1 507.502 5.654 40 0 KKABMP COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCn3cc[nH+]c3C)cc2)CC1 ZINC000585273542 1071033034 /nfs/dbraw/zinc/03/30/34/1071033034.db2.gz PHIOIRZAQRVUOK-UHFFFAOYSA-N 2 1 504.458 5.637 40 0 KKABMP CC[C@@]12C=CC[N@H+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[C@H](C(C)(F)F)C[NH+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 ZINC001529015162 1072923603 /nfs/dbraw/zinc/92/36/03/1072923603.db2.gz NMDYYWFGPIMTKO-SAWVZSLSSA-N 2 1 816.943 5.079 40 0 KKABMP CC[C@@]12C=CC[NH+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[C@H](C(C)(F)F)C[N@H+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 ZINC001529015162 1072923610 /nfs/dbraw/zinc/92/36/10/1072923610.db2.gz NMDYYWFGPIMTKO-SAWVZSLSSA-N 2 1 816.943 5.079 40 0 KKABMP CC[C@@]12C=CC[NH+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[C@H](C(C)(F)F)C[N@@H+](C7)Cc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 ZINC001529015162 1072923629 /nfs/dbraw/zinc/92/36/29/1072923629.db2.gz NMDYYWFGPIMTKO-SAWVZSLSSA-N 2 1 816.943 5.079 40 0 KKABMP CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000004995239 552491657 /nfs/dbraw/zinc/49/16/57/552491657.db2.gz FUMCCVPXFNXOKW-FKIFGHFESA-N 2 1 627.826 5.752 40 0 KKABMP Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CN(Cc4ccccc4F)Cc4ccccc4F)C=C3C)nc21 ZINC000077262114 553655192 /nfs/dbraw/zinc/65/51/92/553655192.db2.gz RNZKPHMOXJDFIQ-AWCRTANDSA-N 2 1 527.703 8.249 40 0 biogenic,in-vitro KKABMP Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](Cc4ccccc4F)Cc4ccccc4F)C=C3C)[nH]c21 ZINC000077262114 553655196 /nfs/dbraw/zinc/65/51/96/553655196.db2.gz RNZKPHMOXJDFIQ-AWCRTANDSA-N 2 1 527.703 8.249 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2 ZINC000030725991 553855480 /nfs/dbraw/zinc/85/54/80/553855480.db2.gz XGEAUXVPBXUBKN-WUFINQPMSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2 ZINC000030725991 553855487 /nfs/dbraw/zinc/85/54/87/553855487.db2.gz XGEAUXVPBXUBKN-WUFINQPMSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2 ZINC000030725991 553855483 /nfs/dbraw/zinc/85/54/83/553855483.db2.gz XGEAUXVPBXUBKN-WUFINQPMSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2 ZINC000030725991 553855491 /nfs/dbraw/zinc/85/54/91/553855491.db2.gz XGEAUXVPBXUBKN-WUFINQPMSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@H+](C)[C@H]5C2)OCO4)CC[NH+]1C ZINC000042804015 554296288 /nfs/dbraw/zinc/29/62/88/554296288.db2.gz YVPXVXANRNDGTA-VMPREFPWSA-N 2 1 606.719 6.874 40 0 in-vivo KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)[C@H]5C2)OCO4)CC[N@H+]1C ZINC000042804015 554296290 /nfs/dbraw/zinc/29/62/90/554296290.db2.gz YVPXVXANRNDGTA-VMPREFPWSA-N 2 1 606.719 6.874 40 0 in-vivo KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)[C@H]5C2)OCO4)CC[N@@H+]1C ZINC000042804015 554296292 /nfs/dbraw/zinc/29/62/92/554296292.db2.gz YVPXVXANRNDGTA-VMPREFPWSA-N 2 1 606.719 6.874 40 0 in-vivo KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585270643 1071018566 /nfs/dbraw/zinc/01/85/66/1071018566.db2.gz HLYKTZRKSWCNAJ-WJOKGBTCSA-N 2 1 521.702 5.682 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585270643 1071018584 /nfs/dbraw/zinc/01/85/84/1071018584.db2.gz HLYKTZRKSWCNAJ-WJOKGBTCSA-N 2 1 521.702 5.682 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585270556 1071018918 /nfs/dbraw/zinc/01/89/18/1071018918.db2.gz FSAOXUZGKFWCDY-GDLZYMKVSA-N 2 1 562.538 6.026 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585270556 1071018938 /nfs/dbraw/zinc/01/89/38/1071018938.db2.gz FSAOXUZGKFWCDY-GDLZYMKVSA-N 2 1 562.538 6.026 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585270161 1071021317 /nfs/dbraw/zinc/02/13/17/1071021317.db2.gz CNMVJZXOXWVKIK-SSEXGKCCSA-N 2 1 507.675 5.428 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585270161 1071021335 /nfs/dbraw/zinc/02/13/35/1071021335.db2.gz CNMVJZXOXWVKIK-SSEXGKCCSA-N 2 1 507.675 5.428 40 0 KKABMP Cc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585274225 1071031149 /nfs/dbraw/zinc/03/11/49/1071031149.db2.gz UOTYXUOYJFKNGG-AREMUKBSSA-N 2 1 504.458 5.373 40 0 KKABMP Cc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585274225 1071031152 /nfs/dbraw/zinc/03/11/52/1071031152.db2.gz UOTYXUOYJFKNGG-AREMUKBSSA-N 2 1 504.458 5.373 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OC ZINC000585273279 1071029885 /nfs/dbraw/zinc/02/98/85/1071029885.db2.gz ZAZXJYDUTJJJSM-UHFFFAOYSA-N 2 1 542.120 5.599 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585273301 1071030014 /nfs/dbraw/zinc/03/00/14/1071030014.db2.gz ZFHABPWPIMQEOU-UHFFFAOYSA-N 2 1 534.484 5.246 40 0 KKABMP COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585272636 1071027546 /nfs/dbraw/zinc/02/75/46/1071027546.db2.gz UXLSKXHMUDFSAA-NDEPHWFRSA-N 2 1 548.511 5.772 40 0 KKABMP COc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cc[nH+]c1C ZINC000585272636 1071027554 /nfs/dbraw/zinc/02/75/54/1071027554.db2.gz UXLSKXHMUDFSAA-NDEPHWFRSA-N 2 1 548.511 5.772 40 0 KKABMP Cc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585272613 1071027700 /nfs/dbraw/zinc/02/77/00/1071027700.db2.gz UNRGSXMMPZASBO-MHZLTWQESA-N 2 1 518.485 5.763 40 0 KKABMP Cc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585272613 1071027706 /nfs/dbraw/zinc/02/77/06/1071027706.db2.gz UNRGSXMMPZASBO-MHZLTWQESA-N 2 1 518.485 5.763 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)cc1OC ZINC000585272644 1071028511 /nfs/dbraw/zinc/02/85/11/1071028511.db2.gz VBTSMTWSXNOBKY-UHFFFAOYSA-N 2 1 514.066 5.247 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272252 1071032534 /nfs/dbraw/zinc/03/25/34/1071032534.db2.gz RNSWWMJXJTXWIC-NDEPHWFRSA-N 2 1 548.511 5.636 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272252 1071032552 /nfs/dbraw/zinc/03/25/52/1071032552.db2.gz RNSWWMJXJTXWIC-NDEPHWFRSA-N 2 1 548.511 5.636 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585273321 1071033909 /nfs/dbraw/zinc/03/39/09/1071033909.db2.gz ZMTGZIFTIABGNQ-SSEXGKCCSA-N 2 1 507.675 5.292 40 0 KKABMP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585273321 1071033915 /nfs/dbraw/zinc/03/39/15/1071033915.db2.gz ZMTGZIFTIABGNQ-SSEXGKCCSA-N 2 1 507.675 5.292 40 0 KKABMP O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)CC1 ZINC000585279514 1071038423 /nfs/dbraw/zinc/03/84/23/1071038423.db2.gz CZFHGKFKOONZLD-MUUNZHRXSA-N 2 1 521.529 6.044 40 0 KKABMP CCc1[nH+]ccn1Cc1cc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)ccc1OC ZINC000585292997 1071046428 /nfs/dbraw/zinc/04/64/28/1071046428.db2.gz QVXWFONSHRFQAF-UHFFFAOYSA-N 2 1 546.741 5.435 40 0 KKABMP COc1cc(NC(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1C[NH2+]CC(O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC001560404570 1073193899 /nfs/dbraw/zinc/19/38/99/1073193899.db2.gz GCUUMDICMBRLAB-UHFFFAOYSA-N 2 1 739.249 7.059 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@H+](C)C5C2)OCO4)CC[NH+]1C ZINC001560409998 1073195774 /nfs/dbraw/zinc/19/57/74/1073195774.db2.gz GPESGMFRYLJMRY-LJAQVGFWSA-N 2 1 605.711 6.713 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)C5C2)OCO4)CC[N@H+]1C ZINC001560409998 1073195778 /nfs/dbraw/zinc/19/57/78/1073195778.db2.gz GPESGMFRYLJMRY-LJAQVGFWSA-N 2 1 605.711 6.713 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)C5C2)OCO4)CC[N@@H+]1C ZINC001560409998 1073195782 /nfs/dbraw/zinc/19/57/82/1073195782.db2.gz GPESGMFRYLJMRY-LJAQVGFWSA-N 2 1 605.711 6.713 40 0 KKABMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2 ZINC000029483258 553845038 /nfs/dbraw/zinc/84/50/38/553845038.db2.gz NGZXDRGWBULKFA-WUFINQPMSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2 ZINC000029483258 553845041 /nfs/dbraw/zinc/84/50/41/553845041.db2.gz NGZXDRGWBULKFA-WUFINQPMSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2 ZINC000029483258 553845044 /nfs/dbraw/zinc/84/50/44/553845044.db2.gz NGZXDRGWBULKFA-WUFINQPMSA-N 2 1 594.708 6.556 40 0 biogenic,in-vitro KKABMP CC1=C(C(=O)c2ccccc2)[C@@H](S[C@@H]2C(C(=O)c3ccccc3)=C(C)[NH2+]N2c2ccccc2)N(c2ccccc2)[NH2+]1 ZINC000100989661 554549816 /nfs/dbraw/zinc/54/98/16/554549816.db2.gz RELAXJRZXHMIMK-XITCCLNHSA-N 2 1 558.707 7.162 40 0 KKABMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2F)C[N@H+]3Cc2ccccc2)o1 ZINC000257222776 572308546 /nfs/dbraw/zinc/30/85/46/572308546.db2.gz DUQWJSPAHOEWAS-STROYTFGSA-N 2 1 507.625 5.530 40 0 KKABMP COc1ccc(C[C@H]2c3cc(Oc4cc(C[C@H]5c6cc(O)c(OC)cc6CC[NH+]5C)ccc4O)c(OC)cc3CC[N@@H+]2C)cc1 ZINC000070455322 1069681457 /nfs/dbraw/zinc/68/14/57/1069681457.db2.gz AJPXZTKPPINUKN-CONSDPRKSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP COc1ccc(C[C@H]2c3cc(Oc4cc(C[C@H]5c6cc(O)c(OC)cc6CC[N@H+]5C)ccc4O)c(OC)cc3CC[NH+]2C)cc1 ZINC000070455322 1069681462 /nfs/dbraw/zinc/68/14/62/1069681462.db2.gz AJPXZTKPPINUKN-CONSDPRKSA-N 2 1 610.751 6.459 40 0 endogenous,in-man KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)ccc1OC ZINC000585270522 1071020054 /nfs/dbraw/zinc/02/00/54/1071020054.db2.gz FASRZIIFODZWQA-PMERELPUSA-N 2 1 507.675 5.028 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)ccc1OC ZINC000585270522 1071020073 /nfs/dbraw/zinc/02/00/73/1071020073.db2.gz FASRZIIFODZWQA-PMERELPUSA-N 2 1 507.675 5.028 40 0 KKABMP COc1cc(C[N@@H+](CCCO)C[C@@H](O)Cn2c3ccccc3c3ccccc32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585270895 1071017949 /nfs/dbraw/zinc/01/79/49/1071017949.db2.gz CHBFCLFLKQRWSS-MUUNZHRXSA-N 2 1 559.751 5.159 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OC ZINC000585271851 1071026109 /nfs/dbraw/zinc/02/61/09/1071026109.db2.gz OYVDPOBSWFGEPU-UHFFFAOYSA-N 2 1 562.538 6.290 40 0 KKABMP COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585271190 1071025332 /nfs/dbraw/zinc/02/53/32/1071025332.db2.gz LHJWSSGOVHBLPV-NDEPHWFRSA-N 2 1 514.066 5.037 40 0 KKABMP COc1cc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585271190 1071025339 /nfs/dbraw/zinc/02/53/39/1071025339.db2.gz LHJWSSGOVHBLPV-NDEPHWFRSA-N 2 1 514.066 5.037 40 0 KKABMP COc1cc(C[N@@H+](CCO)C[C@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272337 1071029378 /nfs/dbraw/zinc/02/93/78/1071029378.db2.gz KHBWWXGBQSBHBU-MHZLTWQESA-N 2 1 577.791 5.264 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272794 1071026839 /nfs/dbraw/zinc/02/68/39/1071026839.db2.gz WWYFGIUIMJFEOT-WJOKGBTCSA-N 2 1 521.702 5.336 40 0 KKABMP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272794 1071026847 /nfs/dbraw/zinc/02/68/47/1071026847.db2.gz WWYFGIUIMJFEOT-WJOKGBTCSA-N 2 1 521.702 5.336 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585272704 1071028494 /nfs/dbraw/zinc/02/84/94/1071028494.db2.gz VNKITZAEEHGNSK-SSEXGKCCSA-N 2 1 507.675 5.292 40 0 KKABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585272704 1071028503 /nfs/dbraw/zinc/02/85/03/1071028503.db2.gz VNKITZAEEHGNSK-SSEXGKCCSA-N 2 1 507.675 5.292 40 0 KKABMP CC(C)[NH+](CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1)C(C)C ZINC000585274172 1071031776 /nfs/dbraw/zinc/03/17/76/1071031776.db2.gz XBPMHMGBDAQQAE-NDEPHWFRSA-N 2 1 523.545 6.287 40 0 KKABMP Cc1cc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCC[NH+](C(C)C)C(C)C)cc3)C2)cc(C)c1Cl ZINC000585272084 1071032484 /nfs/dbraw/zinc/03/24/84/1071032484.db2.gz LCGOTAURACHRIF-LJAQVGFWSA-N 2 1 503.127 5.860 40 0 KKABMP CCc1[nH+]ccn1CCOc1cccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)c1 ZINC000585273626 1071032964 /nfs/dbraw/zinc/03/29/64/1071032964.db2.gz PZKHSCAAXWIDEF-UHFFFAOYSA-N 2 1 518.485 5.891 40 0 KKABMP CCc1[nH+]ccn1CCCOc1cccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273402 1071034420 /nfs/dbraw/zinc/03/44/20/1071034420.db2.gz NNTFRAANOJPKIR-UHFFFAOYSA-N 2 1 518.485 5.627 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000070669948 553599521 /nfs/dbraw/zinc/59/95/21/553599521.db2.gz JFOOZQIJNIJCOW-URLMMPGGSA-N 2 1 638.761 6.829 40 0 biogenic KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096316273 553749391 /nfs/dbraw/zinc/74/93/91/553749391.db2.gz VSPLVBAGDNRNHN-FQLXRVMXSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096316273 553749394 /nfs/dbraw/zinc/74/93/94/553749394.db2.gz VSPLVBAGDNRNHN-FQLXRVMXSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096316273 553749398 /nfs/dbraw/zinc/74/93/98/553749398.db2.gz VSPLVBAGDNRNHN-FQLXRVMXSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096316273 553749401 /nfs/dbraw/zinc/74/94/01/553749401.db2.gz VSPLVBAGDNRNHN-FQLXRVMXSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP C[NH+]1C[C@H](c2ccccc2)C(O)([C@]2(c3ccccc3)C[N@@H+](C)C[C@H](c3ccccc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000033838214 553974947 /nfs/dbraw/zinc/97/49/47/553974947.db2.gz MYEJTRVASCARKF-KCCSVVJASA-N 2 1 530.712 5.467 40 0 in-vitro KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000040163550 554282690 /nfs/dbraw/zinc/28/26/90/554282690.db2.gz IIQSJHUEZBTSAT-FQLXRVMXSA-N 2 1 608.735 6.859 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000040163550 554282693 /nfs/dbraw/zinc/28/26/93/554282693.db2.gz IIQSJHUEZBTSAT-FQLXRVMXSA-N 2 1 608.735 6.859 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000040163550 554282696 /nfs/dbraw/zinc/28/26/96/554282696.db2.gz IIQSJHUEZBTSAT-FQLXRVMXSA-N 2 1 608.735 6.859 40 0 KKABMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000040163550 554282699 /nfs/dbraw/zinc/28/26/99/554282699.db2.gz IIQSJHUEZBTSAT-FQLXRVMXSA-N 2 1 608.735 6.859 40 0 KKABMP O=C(NCCCCCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(C[NH+]2CCc3ccccc3C2)cc1 ZINC000100557017 554416579 /nfs/dbraw/zinc/41/65/79/554416579.db2.gz OJAFNMINBWXLEC-UHFFFAOYSA-N 2 1 614.834 6.523 40 0 KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000253393406 565211632 /nfs/dbraw/zinc/21/16/32/565211632.db2.gz VSPLVBAGDNRNHN-VMPREFPWSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000253393406 565211637 /nfs/dbraw/zinc/21/16/37/565211637.db2.gz VSPLVBAGDNRNHN-VMPREFPWSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000253393406 565211645 /nfs/dbraw/zinc/21/16/45/565211645.db2.gz VSPLVBAGDNRNHN-VMPREFPWSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000253393406 565211649 /nfs/dbraw/zinc/21/16/49/565211649.db2.gz VSPLVBAGDNRNHN-VMPREFPWSA-N 2 1 668.787 6.877 40 0 biogenic,in-vitro KKABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3cn(C(C)C)c4ccccc34)C2)ccc1Cl ZINC000257217656 572307994 /nfs/dbraw/zinc/30/79/94/572307994.db2.gz CZYUYSKOUIBWJE-YTTGMZPUSA-N 2 1 551.175 6.009 40 0 KKABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3cn(C(C)C)c4ccccc34)C2)ccc1Cl ZINC000257217656 572307995 /nfs/dbraw/zinc/30/79/95/572307995.db2.gz CZYUYSKOUIBWJE-YTTGMZPUSA-N 2 1 551.175 6.009 40 0 KKABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257225526 572308787 /nfs/dbraw/zinc/30/87/87/572308787.db2.gz FGOYERSIHUUNAO-MHZLTWQESA-N 2 1 554.053 5.372 40 0 KKABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257225526 572308788 /nfs/dbraw/zinc/30/87/88/572308788.db2.gz FGOYERSIHUUNAO-MHZLTWQESA-N 2 1 554.053 5.372 40 0 KKABMP