smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(COc1ccc(C[NH2+]C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cc1)N1CCOCC1 ZINC000257290908 556716008 /nfs/dbraw/zinc/71/60/08/556716008.db2.gz QETZXEZOVWHAJD-QHCPKHFHSA-N 2 2 426.517 1.050 40 0 IDABLP O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000019292033 556731738 /nfs/dbraw/zinc/73/17/38/556731738.db2.gz BAFYVYMMJBKAMP-UXHICEINSA-N 2 2 443.592 1.082 40 0 IDABLP O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000019292033 556731744 /nfs/dbraw/zinc/73/17/44/556731744.db2.gz BAFYVYMMJBKAMP-UXHICEINSA-N 2 2 443.592 1.082 40 0 IDABLP CC(C)OCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019450442 556761464 /nfs/dbraw/zinc/76/14/64/556761464.db2.gz CVWXBUVXQBKIRJ-FQEVSTJZSA-N 2 2 445.608 1.328 40 0 IDABLP CC(C)OCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019450442 556761467 /nfs/dbraw/zinc/76/14/67/556761467.db2.gz CVWXBUVXQBKIRJ-FQEVSTJZSA-N 2 2 445.608 1.328 40 0 IDABLP Cc1ccc2[nH]c(CCC[NH2+]C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)[nH+]c2c1 ZINC000585291447 557229007 /nfs/dbraw/zinc/22/90/07/557229007.db2.gz PNSHTSFUKLPKPI-IRLDBZIGSA-N 2 2 444.557 1.190 40 0 IDABLP CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCc3ccc4[nH]c(C)[nH+]c4c3)CC[C@@H]2O)CC1 ZINC000257250954 568689068 /nfs/dbraw/zinc/68/90/68/568689068.db2.gz JOSWHBRMPDTMIS-VXKWHMMOSA-N 2 2 427.549 1.320 40 0 IDABLP CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCc3ccc4[nH+]c(C)[nH]c4c3)CC[C@@H]2O)CC1 ZINC000257250954 568689072 /nfs/dbraw/zinc/68/90/72/568689072.db2.gz JOSWHBRMPDTMIS-VXKWHMMOSA-N 2 2 427.549 1.320 40 0 IDABLP CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)COc3cc(C)[nH+]c4ccccc43)[C@H]2O)CC1 ZINC000257253891 568690399 /nfs/dbraw/zinc/69/03/99/568690399.db2.gz KARKYRUYLIJZTJ-PQNGQFLHSA-N 2 2 440.544 1.484 40 0 IDABLP CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCn3c(C)[nH+]c4ccccc43)CC[C@@H]2O)CC1 ZINC000257287242 568705564 /nfs/dbraw/zinc/70/55/64/568705564.db2.gz PPDHFLHYCBVZGJ-VXKWHMMOSA-N 2 2 427.549 1.251 40 0 IDABLP CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257315024 568717779 /nfs/dbraw/zinc/71/77/79/568717779.db2.gz UZOVGXOESPNXDO-QHCPKHFHSA-N 2 2 442.564 1.562 40 0 IDABLP CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)[nH+]cn1 ZINC000257315024 568717782 /nfs/dbraw/zinc/71/77/82/568717782.db2.gz UZOVGXOESPNXDO-QHCPKHFHSA-N 2 2 442.564 1.562 40 0 IDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCC[NH+]4CCCC4)c3)C2)nc[nH+]1 ZINC000257327220 568723100 /nfs/dbraw/zinc/72/31/00/568723100.db2.gz XANNAZRRSSBSNN-DEOSSOPVSA-N 2 2 439.560 1.973 40 0 IDABLP O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[NH2+]CC2=O)NCC[NH+]1CCCC1 ZINC000253402981 569265014 /nfs/dbraw/zinc/26/50/14/569265014.db2.gz PFUPRWZHJGBXIY-RNCACEEWSA-N 2 2 440.588 1.792 40 0 IDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012602567 291321020 /nfs/dbraw/zinc/32/10/20/291321020.db2.gz DYJKWZPGZKXMSS-JRSUCEMESA-N 2 2 427.593 1.685 40 0 biogenic,in-vitro IDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012602567 291321021 /nfs/dbraw/zinc/32/10/21/291321021.db2.gz DYJKWZPGZKXMSS-JRSUCEMESA-N 2 2 427.593 1.685 40 0 biogenic,in-vitro IDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012602567 291321022 /nfs/dbraw/zinc/32/10/22/291321022.db2.gz DYJKWZPGZKXMSS-JRSUCEMESA-N 2 2 427.593 1.685 40 0 biogenic,in-vitro IDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012602567 291321023 /nfs/dbraw/zinc/32/10/23/291321023.db2.gz DYJKWZPGZKXMSS-JRSUCEMESA-N 2 2 427.593 1.685 40 0 biogenic,in-vitro IDABLP Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c(N2CCN(C(=O)c3ccco3)CC2)[nH+]1 ZINC000019134517 556705749 /nfs/dbraw/zinc/70/57/49/556705749.db2.gz VXBUDYGYUHYHQX-SFHVURJKSA-N 2 2 425.533 1.969 40 0 IDABLP Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c(N2CCN(C(=O)c3ccco3)CC2)[nH+]1 ZINC000019134517 556705750 /nfs/dbraw/zinc/70/57/50/556705750.db2.gz VXBUDYGYUHYHQX-SFHVURJKSA-N 2 2 425.533 1.969 40 0 IDABLP COc1cc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290674 556715929 /nfs/dbraw/zinc/71/59/29/556715929.db2.gz QDWSPZDRRIOMKL-RUZDIDTESA-N 2 2 441.572 1.825 40 0 IDABLP COc1cc(C[N@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290674 556715933 /nfs/dbraw/zinc/71/59/33/556715933.db2.gz QDWSPZDRRIOMKL-RUZDIDTESA-N 2 2 441.572 1.825 40 0 IDABLP COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCC(C)CC3)c(OC)c2)C[C@H]1O ZINC000257309840 556718095 /nfs/dbraw/zinc/71/80/95/556718095.db2.gz UCPINWZMDHTJPS-WOJBJXKFSA-N 2 2 435.565 1.114 40 0 IDABLP COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCC(C)CC3)c(OC)c2)C[C@H]1O ZINC000257309840 556718097 /nfs/dbraw/zinc/71/80/97/556718097.db2.gz UCPINWZMDHTJPS-WOJBJXKFSA-N 2 2 435.565 1.114 40 0 IDABLP O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000019292035 556731677 /nfs/dbraw/zinc/73/16/77/556731677.db2.gz BAFYVYMMJBKAMP-PMACEKPBSA-N 2 2 443.592 1.082 40 0 IDABLP O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000019292035 556731682 /nfs/dbraw/zinc/73/16/82/556731682.db2.gz BAFYVYMMJBKAMP-PMACEKPBSA-N 2 2 443.592 1.082 40 0 IDABLP COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CC[NH+](C)CC2)Cn2ccnc23)cc1 ZINC000096263267 557191107 /nfs/dbraw/zinc/19/11/07/557191107.db2.gz UBDJOCNECYRVGS-OAQYLSRUSA-N 2 2 439.560 1.556 40 0 IDABLP Cc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(OCC[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257237302 568682411 /nfs/dbraw/zinc/68/24/11/568682411.db2.gz HFXASFPCXAIITJ-HSZRJFAPSA-N 2 2 425.533 1.631 40 0 IDABLP Cc1cc(N2CC[C@](O)(CNC(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257272451 568698917 /nfs/dbraw/zinc/69/89/17/568698917.db2.gz NCLSWEKHFJKCTN-QHCPKHFHSA-N 2 2 425.533 1.517 40 0 IDABLP CNc1cc(N2CCC[C@](O)(CNC(=O)c3cccc(OCC[NH+](C)C)c3)C2)nc[nH+]1 ZINC000257340819 568728843 /nfs/dbraw/zinc/72/88/43/568728843.db2.gz ZHQCNJRNYXXDPS-QFIPXVFZSA-N 2 2 428.537 1.220 40 0 IDABLP CNc1cc(N2CCC[C@](O)(CNC(=O)c3cccc(OCC[NH+](C)C)c3)C2)[nH+]cn1 ZINC000257340819 568728845 /nfs/dbraw/zinc/72/88/45/568728845.db2.gz ZHQCNJRNYXXDPS-QFIPXVFZSA-N 2 2 428.537 1.220 40 0 IDABLP COCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C[NH+](C)Cc2ccccc2)nn1 ZINC000008297667 291323284 /nfs/dbraw/zinc/32/32/84/291323284.db2.gz LMEHBIVBZPVUFM-FCEUIQTBSA-N 2 2 426.565 1.383 40 0 biogenic,in-vitro IDABLP COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C[NH+](C)Cc2ccccc2)nn1 ZINC000008297667 291323285 /nfs/dbraw/zinc/32/32/85/291323285.db2.gz LMEHBIVBZPVUFM-FCEUIQTBSA-N 2 2 426.565 1.383 40 0 biogenic,in-vitro IDABLP COCCNC(=O)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2Cn1cc(C[N@@H+](C)Cc2ccccc2)nn1 ZINC000008297667 291323287 /nfs/dbraw/zinc/32/32/87/291323287.db2.gz LMEHBIVBZPVUFM-FCEUIQTBSA-N 2 2 426.565 1.383 40 0 biogenic,in-vitro IDABLP COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503869 525063724 /nfs/dbraw/zinc/06/37/24/525063724.db2.gz RIMUWNJOLRBKSW-OKZBNKHCSA-N 2 2 425.620 1.733 40 0 biogenic,in-vitro IDABLP COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503869 525063727 /nfs/dbraw/zinc/06/37/27/525063727.db2.gz RIMUWNJOLRBKSW-OKZBNKHCSA-N 2 2 425.620 1.733 40 0 biogenic,in-vitro IDABLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000057544384 556748053 /nfs/dbraw/zinc/74/80/53/556748053.db2.gz YTYCDCBTTDXPNH-OALUTQOASA-N 2 2 436.622 1.721 40 0 IDABLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000057544379 556748153 /nfs/dbraw/zinc/74/81/53/556748153.db2.gz YTYCDCBTTDXPNH-KDURUIRLSA-N 2 2 436.622 1.721 40 0 IDABLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000057544379 556748158 /nfs/dbraw/zinc/74/81/58/556748158.db2.gz YTYCDCBTTDXPNH-KDURUIRLSA-N 2 2 436.622 1.721 40 0 IDABLP O=C(NC1CS(=O)(=O)C1)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101876 557035158 /nfs/dbraw/zinc/03/51/58/557035158.db2.gz HUJGXYLLTNFHCJ-FQEVSTJZSA-N 2 2 444.557 1.014 40 0 IDABLP O=C(NC1CS(=O)(=O)C1)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101876 557035159 /nfs/dbraw/zinc/03/51/59/557035159.db2.gz HUJGXYLLTNFHCJ-FQEVSTJZSA-N 2 2 444.557 1.014 40 0 IDABLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccco4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056185 557167291 /nfs/dbraw/zinc/16/72/91/557167291.db2.gz GRSNJOSAYGKXPU-REWPJTCUSA-N 2 2 427.549 1.586 40 0 IDABLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccco4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056185 557167295 /nfs/dbraw/zinc/16/72/95/557167295.db2.gz GRSNJOSAYGKXPU-REWPJTCUSA-N 2 2 427.549 1.586 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccco4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056185 557167299 /nfs/dbraw/zinc/16/72/99/557167299.db2.gz GRSNJOSAYGKXPU-REWPJTCUSA-N 2 2 427.549 1.586 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccco4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056185 557167305 /nfs/dbraw/zinc/16/73/05/557167305.db2.gz GRSNJOSAYGKXPU-REWPJTCUSA-N 2 2 427.549 1.586 40 0 IDABLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056195 557167366 /nfs/dbraw/zinc/16/73/66/557167366.db2.gz UNLYIRSYMKCSQK-URXFXBBRSA-N 2 2 438.576 1.388 40 0 IDABLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056195 557167371 /nfs/dbraw/zinc/16/73/71/557167371.db2.gz UNLYIRSYMKCSQK-URXFXBBRSA-N 2 2 438.576 1.388 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056195 557167379 /nfs/dbraw/zinc/16/73/79/557167379.db2.gz UNLYIRSYMKCSQK-URXFXBBRSA-N 2 2 438.576 1.388 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056195 557167385 /nfs/dbraw/zinc/16/73/85/557167385.db2.gz UNLYIRSYMKCSQK-URXFXBBRSA-N 2 2 438.576 1.388 40 0 IDABLP Cn1c[nH+]c2c1[C@H](C(=O)N1CCN(c3cc[nH+]cc3)CC1)N(C(=O)c1ccccc1)CC2 ZINC000096147202 557176998 /nfs/dbraw/zinc/17/69/98/557176998.db2.gz XVAVQCYVGGSEQN-JOCHJYFZSA-N 2 2 430.512 1.904 40 0 IDABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000585273005 557215453 /nfs/dbraw/zinc/21/54/53/557215453.db2.gz OIWLLQWVHPRUMR-XMMPIXPASA-N 2 2 441.576 1.651 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000585273005 557215455 /nfs/dbraw/zinc/21/54/55/557215455.db2.gz OIWLLQWVHPRUMR-XMMPIXPASA-N 2 2 441.576 1.651 40 0 IDABLP O[C@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCN(c2cnccn2)C1 ZINC000585274267 557218432 /nfs/dbraw/zinc/21/84/32/557218432.db2.gz UUCHNKVOSYTTAO-QHCPKHFHSA-N 2 2 427.549 1.309 40 0 IDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257232638 568680207 /nfs/dbraw/zinc/68/02/07/568680207.db2.gz GLUCRWCQIGSBIK-XMMPIXPASA-N 2 2 439.560 1.859 40 0 IDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCC[NH+]4CCCC4)c3)C2)nc[nH+]1 ZINC000257327221 568723079 /nfs/dbraw/zinc/72/30/79/568723079.db2.gz XANNAZRRSSBSNN-XMMPIXPASA-N 2 2 439.560 1.973 40 0 IDABLP Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c(N2CCN(C(=O)c3ccco3)CC2)[nH+]1 ZINC000019134513 556705387 /nfs/dbraw/zinc/70/53/87/556705387.db2.gz VXBUDYGYUHYHQX-GOSISDBHSA-N 2 2 425.533 1.969 40 0 IDABLP Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c(N2CCN(C(=O)c3ccco3)CC2)[nH+]1 ZINC000019134513 556705390 /nfs/dbraw/zinc/70/53/90/556705390.db2.gz VXBUDYGYUHYHQX-GOSISDBHSA-N 2 2 425.533 1.969 40 0 IDABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCCOCCO)cc3)C2)nc[nH+]1 ZINC000257274640 556714195 /nfs/dbraw/zinc/71/41/95/556714195.db2.gz NLYJSXFVRLVTFZ-QFIPXVFZSA-N 2 2 431.537 1.027 40 0 IDABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCCOCCO)cc3)C2)[nH+]cn1 ZINC000257274640 556714197 /nfs/dbraw/zinc/71/41/97/556714197.db2.gz NLYJSXFVRLVTFZ-QFIPXVFZSA-N 2 2 431.537 1.027 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000257307919 556718121 /nfs/dbraw/zinc/71/81/21/556718121.db2.gz TUSQTYZGLAWCAY-DEOSSOPVSA-N 2 2 441.576 1.536 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000257307919 556718124 /nfs/dbraw/zinc/71/81/24/556718124.db2.gz TUSQTYZGLAWCAY-DEOSSOPVSA-N 2 2 441.576 1.536 40 0 IDABLP CN(C)c1cc(N2CC[C@](O)(C[N@@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)[nH+]cn1 ZINC000257310667 556718490 /nfs/dbraw/zinc/71/84/90/556718490.db2.gz UGAQYVHUZKMQAI-QHCPKHFHSA-N 3 2 428.581 1.556 40 0 IDABLP CN(C)c1cc(N2CC[C@](O)(C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257310667 556718485 /nfs/dbraw/zinc/71/84/85/556718485.db2.gz UGAQYVHUZKMQAI-QHCPKHFHSA-N 3 2 428.581 1.556 40 0 IDABLP CN(C)c1cc(N2CC[C@](O)(C[N@@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257310667 556718487 /nfs/dbraw/zinc/71/84/87/556718487.db2.gz UGAQYVHUZKMQAI-QHCPKHFHSA-N 3 2 428.581 1.556 40 0 IDABLP CN(C)c1cc(N2CC[C@](O)(C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)[nH+]cn1 ZINC000257310667 556718489 /nfs/dbraw/zinc/71/84/89/556718489.db2.gz UGAQYVHUZKMQAI-QHCPKHFHSA-N 3 2 428.581 1.556 40 0 IDABLP C[NH+]1CCN(CC(C)(C)C[N@@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)CC1 ZINC000023093266 557063130 /nfs/dbraw/zinc/06/31/30/557063130.db2.gz UBXDXFKSRVHODZ-RCZVLFRGSA-N 3 2 431.669 1.835 40 0 IDABLP C[NH+]1CCN(CC(C)(C)C[N@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)CC1 ZINC000023093266 557063132 /nfs/dbraw/zinc/06/31/32/557063132.db2.gz UBXDXFKSRVHODZ-RCZVLFRGSA-N 3 2 431.669 1.835 40 0 IDABLP COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC[NH+](C)CC2)Cn2ccnc23)cc1 ZINC000096263266 557191091 /nfs/dbraw/zinc/19/10/91/557191091.db2.gz UBDJOCNECYRVGS-NRFANRHFSA-N 2 2 439.560 1.556 40 0 IDABLP O[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000585273152 557215531 /nfs/dbraw/zinc/21/55/31/557215531.db2.gz PNRYJLLKEGVYHG-SFTDATJTSA-N 2 2 425.520 1.674 40 0 IDABLP O[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000585273152 557215532 /nfs/dbraw/zinc/21/55/32/557215532.db2.gz PNRYJLLKEGVYHG-SFTDATJTSA-N 2 2 425.520 1.674 40 0 IDABLP Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@H+]1CC[C@](O)(CN2CC[NH+](C)CC2)C1 ZINC000257204118 568667040 /nfs/dbraw/zinc/66/70/40/568667040.db2.gz ATCTXEOXVKGTIP-DEOSSOPVSA-N 2 2 440.592 1.171 40 0 IDABLP Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@@H+]1CC[C@](O)(CN2CC[NH+](C)CC2)C1 ZINC000257204118 568667044 /nfs/dbraw/zinc/66/70/44/568667044.db2.gz ATCTXEOXVKGTIP-DEOSSOPVSA-N 2 2 440.592 1.171 40 0 IDABLP Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257288217 568705964 /nfs/dbraw/zinc/70/59/64/568705964.db2.gz PTJQUJJDYMQVLY-QHCPKHFHSA-N 2 2 427.549 1.829 40 0 IDABLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C(C)=O)CC2)CC1 ZINC000257324071 568721845 /nfs/dbraw/zinc/72/18/45/568721845.db2.gz WNABMSMJLIETST-SFTDATJTSA-N 2 2 427.549 1.115 40 0 IDABLP CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257333313 568725805 /nfs/dbraw/zinc/72/58/05/568725805.db2.gz YBAYKDASGRAXFU-VXKWHMMOSA-N 2 2 427.593 1.834 40 0 IDABLP Cc1cc(N2CC[C@@](O)(CNC(=O)C3(Cc4ccccc4F)CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000257336198 568726822 /nfs/dbraw/zinc/72/68/22/568726822.db2.gz YNMXJXQZNXBBOF-XMMPIXPASA-N 2 2 441.551 1.936 40 0 IDABLP C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccccc2C[NH2+]CC3=O)CC1 ZINC000077267499 569586629 /nfs/dbraw/zinc/58/66/29/569586629.db2.gz GTQLERPKRMCFPO-FPOVZHCZSA-N 2 2 428.577 1.578 40 0 IDABLP CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000002022743 555727617 /nfs/dbraw/zinc/72/76/17/555727617.db2.gz QZWUQVSQIFFFKY-IBGZPJMESA-N 2 2 446.529 1.652 40 0 in-man IDABLP COCC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](c3csnn3)C2)CC1 ZINC000019211997 556709743 /nfs/dbraw/zinc/70/97/43/556709743.db2.gz DLJGOFRVEKVNHO-VQTJNVASSA-N 2 2 429.590 1.820 40 0 IDABLP COCC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](c3ccc(C)cc3)[C@H](c3csnn3)C2)CC1 ZINC000019211997 556709744 /nfs/dbraw/zinc/70/97/44/556709744.db2.gz DLJGOFRVEKVNHO-VQTJNVASSA-N 2 2 429.590 1.820 40 0 IDABLP O=C(COc1ccc(C[NH2+]C[C@]2(O)CCN(c3cccc[nH+]3)C2)cc1)N1CCOCC1 ZINC000257290907 556716023 /nfs/dbraw/zinc/71/60/23/556716023.db2.gz QETZXEZOVWHAJD-HSZRJFAPSA-N 2 2 426.517 1.050 40 0 IDABLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056196 557167484 /nfs/dbraw/zinc/16/74/84/557167484.db2.gz DSORFYOXDHVLCS-UPVQGACJSA-N 2 2 438.576 1.388 40 0 IDABLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056196 557167487 /nfs/dbraw/zinc/16/74/87/557167487.db2.gz DSORFYOXDHVLCS-UPVQGACJSA-N 2 2 438.576 1.388 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056196 557167490 /nfs/dbraw/zinc/16/74/90/557167490.db2.gz DSORFYOXDHVLCS-UPVQGACJSA-N 2 2 438.576 1.388 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056196 557167493 /nfs/dbraw/zinc/16/74/93/557167493.db2.gz DSORFYOXDHVLCS-UPVQGACJSA-N 2 2 438.576 1.388 40 0 IDABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000585271470 557214716 /nfs/dbraw/zinc/21/47/16/557214716.db2.gz FTTYSIUJALGIKF-DEOSSOPVSA-N 2 2 441.576 1.651 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000585271470 557214720 /nfs/dbraw/zinc/21/47/20/557214720.db2.gz FTTYSIUJALGIKF-DEOSSOPVSA-N 2 2 441.576 1.651 40 0 IDABLP CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257289019 568706158 /nfs/dbraw/zinc/70/61/58/568706158.db2.gz PWQXMBRSQDMWLB-QFIPXVFZSA-N 2 2 428.537 1.220 40 0 IDABLP CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(OCC[NH+](C)C)cc3)C2)[nH+]cn1 ZINC000257289019 568706159 /nfs/dbraw/zinc/70/61/59/568706159.db2.gz PWQXMBRSQDMWLB-QFIPXVFZSA-N 2 2 428.537 1.220 40 0 IDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257296060 568709599 /nfs/dbraw/zinc/70/95/99/568709599.db2.gz RBBNIASKPBUOCY-DEOSSOPVSA-N 2 2 439.560 1.973 40 0 IDABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)nc[nH+]1 ZINC000257281264 556714844 /nfs/dbraw/zinc/71/48/44/556714844.db2.gz OOIZHYUQGVXRAF-QHCPKHFHSA-N 3 2 426.565 1.472 40 0 IDABLP Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000019288908 556728819 /nfs/dbraw/zinc/72/88/19/556728819.db2.gz QCVOJMBRKKFORL-UHFFFAOYSA-N 2 2 428.556 1.554 40 0 IDABLP C[NH+](C)C1CCN(C(=O)c2cn(-c3[nH+]c(CN4CCOCC4)c4ccccn43)cn2)CC1 ZINC000096155549 557180086 /nfs/dbraw/zinc/18/00/86/557180086.db2.gz NENVEGJAIBFZTF-UHFFFAOYSA-N 2 2 437.548 1.518 40 0 IDABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000585271473 557213463 /nfs/dbraw/zinc/21/34/63/557213463.db2.gz FTTYSIUJALGIKF-XMMPIXPASA-N 2 2 441.576 1.651 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000585271473 557213467 /nfs/dbraw/zinc/21/34/67/557213467.db2.gz FTTYSIUJALGIKF-XMMPIXPASA-N 2 2 441.576 1.651 40 0 IDABLP CCOc1cc(C[N@@H+]2CC[C@](O)(CN3CCOCC3)C2)ccc1OCC[NH+]1CCOCC1 ZINC000585270869 568617534 /nfs/dbraw/zinc/61/75/34/568617534.db2.gz CAVGYPBLPWQSJB-DEOSSOPVSA-N 2 2 449.592 1.065 40 0 IDABLP CCOc1cc(C[N@H+]2CC[C@](O)(CN3CCOCC3)C2)ccc1OCC[NH+]1CCOCC1 ZINC000585270869 568617535 /nfs/dbraw/zinc/61/75/35/568617535.db2.gz CAVGYPBLPWQSJB-DEOSSOPVSA-N 2 2 449.592 1.065 40 0 IDABLP CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Cn3c(C)[nH+]c4cc(C)c(C)cc43)CC[C@@H]2O)CC1 ZINC000257218045 568673479 /nfs/dbraw/zinc/67/34/79/568673479.db2.gz DBQHBWXNQYHFBT-GMAHTHKFSA-N 2 2 441.576 1.478 40 0 IDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257232637 568680440 /nfs/dbraw/zinc/68/04/40/568680440.db2.gz GLUCRWCQIGSBIK-DEOSSOPVSA-N 2 2 439.560 1.859 40 0 IDABLP C[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]2O)CC1 ZINC000257264189 568695350 /nfs/dbraw/zinc/69/53/50/568695350.db2.gz LTGUQWVTTNJEMG-SFTDATJTSA-N 2 2 432.609 1.421 40 0 IDABLP CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCCn3c(C)[nH+]c4ccccc43)CC[C@@H]2O)CC1 ZINC000257272015 568698352 /nfs/dbraw/zinc/69/83/52/568698352.db2.gz NASRCYHBLVNVSD-GOTSBHOMSA-N 2 2 441.576 1.641 40 0 IDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCC[NH3+])c3)C2)c2cnccc2[nH+]1 ZINC000257278100 568701493 /nfs/dbraw/zinc/70/14/93/568701493.db2.gz OAUFLALJYWHRDY-XMMPIXPASA-N 2 2 435.528 1.989 40 0 IDABLP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1 ZINC000257330232 568724324 /nfs/dbraw/zinc/72/43/24/568724324.db2.gz XNMIQMGJARWXBL-SFTDATJTSA-N 2 2 432.609 1.421 40 0 IDABLP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1 ZINC000257330232 568724330 /nfs/dbraw/zinc/72/43/30/568724330.db2.gz XNMIQMGJARWXBL-SFTDATJTSA-N 2 2 432.609 1.421 40 0 IDABLP C[NH+]1CCN(C[C@@]2(O)CC[N@H+](CC(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000257330416 568724454 /nfs/dbraw/zinc/72/44/54/568724454.db2.gz XOHDGSWUOHIHPG-QHCPKHFHSA-N 2 2 425.533 1.497 40 0 IDABLP C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](CC(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000257330416 568724456 /nfs/dbraw/zinc/72/44/56/568724456.db2.gz XOHDGSWUOHIHPG-QHCPKHFHSA-N 2 2 425.533 1.497 40 0 IDABLP O=c1ccc2ncc(=O)n3c2n1C[C@@H]3C[NH+]1CCC([NH2+]Cc2cc3c(cn2)OCCC3)CC1 ZINC000223227887 569177374 /nfs/dbraw/zinc/17/73/74/569177374.db2.gz PZFAZQUREQIODZ-IBGZPJMESA-N 2 2 448.527 1.087 40 0 IDABLP Cc1cc(N2CC[NH+](C)CC2)nc(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000005926511 132275734 /nfs/dbraw/zinc/27/57/34/132275734.db2.gz MGZXEEDFUKHGJO-UHFFFAOYSA-N 2 2 427.578 1.373 40 0 IDABLP CN1[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922794 556341319 /nfs/dbraw/zinc/34/13/19/556341319.db2.gz NYCKATYKMNRHMG-XJUOHMSHSA-N 2 2 445.583 1.189 40 0 biogenic,in-vitro IDABLP CN1[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922794 556341324 /nfs/dbraw/zinc/34/13/24/556341324.db2.gz NYCKATYKMNRHMG-XJUOHMSHSA-N 2 2 445.583 1.189 40 0 biogenic,in-vitro IDABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OC)c(OCCOC)c3)C2)nc[nH+]1 ZINC000257248525 556711482 /nfs/dbraw/zinc/71/14/82/556711482.db2.gz JEAMJJJFTPQYOZ-QFIPXVFZSA-N 2 2 431.537 1.673 40 0 IDABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OC)c(OCCOC)c3)C2)[nH+]cn1 ZINC000257248525 556711486 /nfs/dbraw/zinc/71/14/86/556711486.db2.gz JEAMJJJFTPQYOZ-QFIPXVFZSA-N 2 2 431.537 1.673 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)CC1 ZINC000257264531 556713005 /nfs/dbraw/zinc/71/30/05/556713005.db2.gz LUVXQJNTLOLYKN-XMMPIXPASA-N 3 2 430.593 1.056 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)CC1 ZINC000257264531 556713007 /nfs/dbraw/zinc/71/30/07/556713007.db2.gz LUVXQJNTLOLYKN-XMMPIXPASA-N 3 2 430.593 1.056 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCCOCCO)cc3)C2)nc[nH+]1 ZINC000257274639 556714074 /nfs/dbraw/zinc/71/40/74/556714074.db2.gz NLYJSXFVRLVTFZ-JOCHJYFZSA-N 2 2 431.537 1.027 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCCOCCO)cc3)C2)[nH+]cn1 ZINC000257274639 556714076 /nfs/dbraw/zinc/71/40/76/556714076.db2.gz NLYJSXFVRLVTFZ-JOCHJYFZSA-N 2 2 431.537 1.027 40 0 IDABLP O=C(c1ccc(F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000019372512 556749222 /nfs/dbraw/zinc/74/92/22/556749222.db2.gz GEMQBQGHFLCOLR-DHIUTWEWSA-N 2 2 439.531 1.893 40 0 IDABLP O=C(c1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000019372512 556749225 /nfs/dbraw/zinc/74/92/25/556749225.db2.gz GEMQBQGHFLCOLR-DHIUTWEWSA-N 2 2 439.531 1.893 40 0 IDABLP C[NH+]1CCN(c2nccc(CN(CCC[NH+]3CCOCC3)Cc3cccnc3)n2)CC1 ZINC000019590136 556824801 /nfs/dbraw/zinc/82/48/01/556824801.db2.gz BHGBDEQQYZEXIM-UHFFFAOYSA-N 2 2 425.581 1.348 40 0 IDABLP C[NH+]1CCN(c2nccc(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)n2)CC1 ZINC000019590136 556824802 /nfs/dbraw/zinc/82/48/02/556824802.db2.gz BHGBDEQQYZEXIM-UHFFFAOYSA-N 2 2 425.581 1.348 40 0 IDABLP C[NH+]1CCN(c2nccc(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)n2)CC1 ZINC000019590136 556824806 /nfs/dbraw/zinc/82/48/06/556824806.db2.gz BHGBDEQQYZEXIM-UHFFFAOYSA-N 2 2 425.581 1.348 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585269999 568616786 /nfs/dbraw/zinc/61/67/86/568616786.db2.gz AIFUZQQJURRMDF-DEOSSOPVSA-N 2 2 441.576 1.499 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585269999 568616787 /nfs/dbraw/zinc/61/67/87/568616787.db2.gz AIFUZQQJURRMDF-DEOSSOPVSA-N 2 2 441.576 1.499 40 0 IDABLP COc1cc(C[N@H+](C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OCC[NH+](C)C ZINC000585270629 568617248 /nfs/dbraw/zinc/61/72/48/568617248.db2.gz AKBZUBILDSJUIO-HSZRJFAPSA-N 3 2 429.565 1.807 40 0 IDABLP COc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OCC[NH+](C)C ZINC000585270629 568617249 /nfs/dbraw/zinc/61/72/49/568617249.db2.gz AKBZUBILDSJUIO-HSZRJFAPSA-N 3 2 429.565 1.807 40 0 IDABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585272982 568618165 /nfs/dbraw/zinc/61/81/65/568618165.db2.gz OAUZMTGNNUMPKY-XMMPIXPASA-N 2 2 426.561 1.866 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585272982 568618166 /nfs/dbraw/zinc/61/81/66/568618166.db2.gz OAUZMTGNNUMPKY-XMMPIXPASA-N 2 2 426.561 1.866 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000585272982 568618168 /nfs/dbraw/zinc/61/81/68/568618168.db2.gz OAUZMTGNNUMPKY-XMMPIXPASA-N 2 2 426.561 1.866 40 0 IDABLP Cc1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)ncn1 ZINC000585274386 568618446 /nfs/dbraw/zinc/61/84/46/568618446.db2.gz VUXLPYAVQUCMSB-QHCPKHFHSA-N 2 2 427.549 1.227 40 0 IDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCC[NH3+])c3)C2)c2cnccc2[nH+]1 ZINC000257278099 568701347 /nfs/dbraw/zinc/70/13/47/568701347.db2.gz OAUFLALJYWHRDY-DEOSSOPVSA-N 2 2 435.528 1.989 40 0 IDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257296061 568709636 /nfs/dbraw/zinc/70/96/36/568709636.db2.gz RBBNIASKPBUOCY-XMMPIXPASA-N 2 2 439.560 1.973 40 0 IDABLP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)C[N@H+](Cc3ccc[nH]3)CCO2)CC1 ZINC000257298061 568710427 /nfs/dbraw/zinc/71/04/27/568710427.db2.gz RJYNRBQLTMQVPI-QHCPKHFHSA-N 2 2 430.524 1.968 40 0 IDABLP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)C[N@@H+](Cc3ccc[nH]3)CCO2)CC1 ZINC000257298061 568710428 /nfs/dbraw/zinc/71/04/28/568710428.db2.gz RJYNRBQLTMQVPI-QHCPKHFHSA-N 2 2 430.524 1.968 40 0 IDABLP C[C@@H](CO)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328998672 568808802 /nfs/dbraw/zinc/80/88/02/568808802.db2.gz JUKAMABJELLQGD-AWEZNQCLSA-N 2 2 441.454 1.423 40 0 IDABLP COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NCC[NH+]3CCOCC3)no2)cc1 ZINC000020504015 523107937 /nfs/dbraw/zinc/10/79/37/523107937.db2.gz LJSHVWYTIUBOQC-PMACEKPBSA-N 2 2 442.560 1.957 40 0 biogenic,in-vitro IDABLP C[NH+]1CCN(C(=O)C(Sc2nccc3ccccc32)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000033429195 556563989 /nfs/dbraw/zinc/56/39/89/556563989.db2.gz XYBMBGLFYTVXRU-UHFFFAOYSA-N 2 2 427.574 1.244 40 0 IDABLP Cn1ccnc1C[NH2+][C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514289210 556625512 /nfs/dbraw/zinc/62/55/12/556625512.db2.gz ZZRJZSYKCBYTKG-CMKODMSKSA-N 2 2 439.482 1.479 40 0 biogenic,in-vitro IDABLP Cc1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCCCN4CCCC4=O)cc3)C2)nc[nH+]1 ZINC000257203676 556701370 /nfs/dbraw/zinc/70/13/70/556701370.db2.gz ARBVABCFIATGKZ-DEOSSOPVSA-N 2 2 439.560 1.907 40 0 IDABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCC[NH+](C)C)c(OC)c3)C2)nc[nH+]1 ZINC000257228282 556708950 /nfs/dbraw/zinc/70/89/50/556708950.db2.gz FTHHOYOBVMSAAW-QHCPKHFHSA-N 3 2 444.580 1.588 40 0 IDABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCC[NH+](C)C)c(OC)c3)C2)[nH+]cn1 ZINC000257228282 556708952 /nfs/dbraw/zinc/70/89/52/556708952.db2.gz FTHHOYOBVMSAAW-QHCPKHFHSA-N 3 2 444.580 1.588 40 0 IDABLP Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000006408152 556834586 /nfs/dbraw/zinc/83/45/86/556834586.db2.gz IBRPFMHTQSPKQG-UHFFFAOYSA-N 2 2 445.633 1.797 40 0 IDABLP Cc1ccc(C[NH+]2CCC[C@]3(C(=O)N4CCOCC4)C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096056191 557167163 /nfs/dbraw/zinc/16/71/63/557167163.db2.gz AENXPACNGRJRIH-URXFXBBRSA-N 2 2 441.576 1.895 40 0 IDABLP Cc1ccc(C[NH+]2CCC[C@]3(C(=O)N4CCOCC4)C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096056191 557167166 /nfs/dbraw/zinc/16/71/66/557167166.db2.gz AENXPACNGRJRIH-URXFXBBRSA-N 2 2 441.576 1.895 40 0 IDABLP Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N4CCOCC4)C[NH+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096056191 557167168 /nfs/dbraw/zinc/16/71/68/557167168.db2.gz AENXPACNGRJRIH-URXFXBBRSA-N 2 2 441.576 1.895 40 0 IDABLP Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)N4CCOCC4)C[NH+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096056191 557167172 /nfs/dbraw/zinc/16/71/72/557167172.db2.gz AENXPACNGRJRIH-URXFXBBRSA-N 2 2 441.576 1.895 40 0 IDABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108295 557177472 /nfs/dbraw/zinc/17/74/72/557177472.db2.gz BBKFGMKBNCFYCP-QGZVFWFLSA-N 2 2 426.521 1.618 40 0 IDABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108300 557177521 /nfs/dbraw/zinc/17/75/21/557177521.db2.gz BBKFGMKBNCFYCP-KRWDZBQOSA-N 2 2 426.521 1.618 40 0 IDABLP O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCCc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000585290451 557227262 /nfs/dbraw/zinc/22/72/62/557227262.db2.gz BIXXSXMFRKUEQB-CTNGQTDRSA-N 2 2 448.520 1.021 40 0 IDABLP COc1cc(C[NH2+]C[C@@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)ccc1OCC[NH+](C)C ZINC000585272968 568618125 /nfs/dbraw/zinc/61/81/25/568618125.db2.gz NURBJADFASCLEZ-QHCPKHFHSA-N 3 2 444.580 1.223 40 0 IDABLP COc1cc(C[NH2+]C[C@@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)ccc1OCC[NH+](C)C ZINC000585272968 568618127 /nfs/dbraw/zinc/61/81/27/568618127.db2.gz NURBJADFASCLEZ-QHCPKHFHSA-N 3 2 444.580 1.223 40 0 IDABLP COc1cc(C[NH2+]C[C@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)ccc1OCC[NH+](C)C ZINC000585272965 568618172 /nfs/dbraw/zinc/61/81/72/568618172.db2.gz NURBJADFASCLEZ-HSZRJFAPSA-N 3 2 444.580 1.223 40 0 IDABLP COc1cc(C[NH2+]C[C@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)ccc1OCC[NH+](C)C ZINC000585272965 568618173 /nfs/dbraw/zinc/61/81/73/568618173.db2.gz NURBJADFASCLEZ-HSZRJFAPSA-N 3 2 444.580 1.223 40 0 IDABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CN2CC[NH+](CCO)CC2)n1 ZINC000257241507 568684372 /nfs/dbraw/zinc/68/43/72/568684372.db2.gz HYGVRMIBFGWUEP-HXUWFJFHSA-N 2 2 426.565 1.664 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257315023 568717605 /nfs/dbraw/zinc/71/76/05/568717605.db2.gz UZOVGXOESPNXDO-HSZRJFAPSA-N 2 2 442.564 1.562 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)[nH+]cn1 ZINC000257315023 568717606 /nfs/dbraw/zinc/71/76/06/568717606.db2.gz UZOVGXOESPNXDO-HSZRJFAPSA-N 2 2 442.564 1.562 40 0 IDABLP Cc1n[nH]cc1C[N@@H+]1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257316965 568718656 /nfs/dbraw/zinc/71/86/56/568718656.db2.gz VHSQEZMYDDQKRS-QHCPKHFHSA-N 2 2 445.539 1.671 40 0 IDABLP Cc1n[nH]cc1C[N@H+]1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257316965 568718660 /nfs/dbraw/zinc/71/86/60/568718660.db2.gz VHSQEZMYDDQKRS-QHCPKHFHSA-N 2 2 445.539 1.671 40 0 IDABLP C[N@@H+]1CCO[C@](Cc2ccccc2)(C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328203 568723631 /nfs/dbraw/zinc/72/36/31/568723631.db2.gz XEPIHPWCMGZVPW-RDGATRHJSA-N 2 2 436.556 1.128 40 0 IDABLP C[N@H+]1CCO[C@](Cc2ccccc2)(C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328203 568723632 /nfs/dbraw/zinc/72/36/32/568723632.db2.gz XEPIHPWCMGZVPW-RDGATRHJSA-N 2 2 436.556 1.128 40 0 IDABLP C[NH+]1CCO[C@](Cc2ccccc2)(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328203 568723635 /nfs/dbraw/zinc/72/36/35/568723635.db2.gz XEPIHPWCMGZVPW-RDGATRHJSA-N 2 2 436.556 1.128 40 0 IDABLP C[NH+]1CCO[C@](Cc2ccccc2)(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328203 568723638 /nfs/dbraw/zinc/72/36/38/568723638.db2.gz XEPIHPWCMGZVPW-RDGATRHJSA-N 2 2 436.556 1.128 40 0 IDABLP CN(CC1(O)CCN(c2cc[nH+]c3ccncc32)CC1)C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000257332936 568725792 /nfs/dbraw/zinc/72/57/92/568725792.db2.gz XZJROMJTUMKVLC-FQEVSTJZSA-N 2 2 435.528 1.695 40 0 IDABLP COCCOc1cc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OC ZINC000257223249 556708119 /nfs/dbraw/zinc/70/81/19/556708119.db2.gz DWNXGPGAXHYTPE-HSZRJFAPSA-N 2 2 435.565 1.258 40 0 IDABLP COCCOc1cc(C[N@H+]2CC[C@@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OC ZINC000257223249 556708122 /nfs/dbraw/zinc/70/81/22/556708122.db2.gz DWNXGPGAXHYTPE-HSZRJFAPSA-N 2 2 435.565 1.258 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)nc[nH+]1 ZINC000257281263 556714905 /nfs/dbraw/zinc/71/49/05/556714905.db2.gz OOIZHYUQGVXRAF-HSZRJFAPSA-N 3 2 426.565 1.472 40 0 IDABLP O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000257205698 556980198 /nfs/dbraw/zinc/98/01/98/556980198.db2.gz BAFYVYMMJBKAMP-WOJBJXKFSA-N 2 2 443.592 1.082 40 0 IDABLP O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000257205698 556980200 /nfs/dbraw/zinc/98/02/00/556980200.db2.gz BAFYVYMMJBKAMP-WOJBJXKFSA-N 2 2 443.592 1.082 40 0 IDABLP O=C(NCC[NH+]1CCOCC1)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096155939 557180548 /nfs/dbraw/zinc/18/05/48/557180548.db2.gz ZKUWDXTULCFASO-UHFFFAOYSA-N 2 2 448.571 1.719 40 0 IDABLP COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1 ZINC000008636247 565101540 /nfs/dbraw/zinc/10/15/40/565101540.db2.gz DFIGAIACRAZAFY-JAXLGGSGSA-N 2 2 431.650 1.630 40 0 biogenic,in-vitro IDABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000585270793 568617220 /nfs/dbraw/zinc/61/72/20/568617220.db2.gz BCEMROXZOHQBHN-QHCPKHFHSA-N 2 2 427.549 1.261 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000585270793 568617222 /nfs/dbraw/zinc/61/72/22/568617222.db2.gz BCEMROXZOHQBHN-QHCPKHFHSA-N 2 2 427.549 1.261 40 0 IDABLP COc1cc(C[NH2+]C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OCCC[NH+](C)C ZINC000585270661 568617229 /nfs/dbraw/zinc/61/72/29/568617229.db2.gz ALYBLGBFJZTLPF-QHCPKHFHSA-N 3 2 429.565 1.855 40 0 IDABLP Cc1cc(N2CC[C@](O)(C[N@H+](C)Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)ncn1 ZINC000585271642 568617957 /nfs/dbraw/zinc/61/79/57/568617957.db2.gz GKALAPXXBNZOPU-DEOSSOPVSA-N 2 2 441.576 1.569 40 0 IDABLP Cc1cc(N2CC[C@](O)(C[N@@H+](C)Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)ncn1 ZINC000585271642 568617960 /nfs/dbraw/zinc/61/79/60/568617960.db2.gz GKALAPXXBNZOPU-DEOSSOPVSA-N 2 2 441.576 1.569 40 0 IDABLP Cc1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)ncn1 ZINC000585274383 568618384 /nfs/dbraw/zinc/61/83/84/568618384.db2.gz VUXLPYAVQUCMSB-HSZRJFAPSA-N 2 2 427.549 1.227 40 0 IDABLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(C)CC1(O)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000257239519 568683446 /nfs/dbraw/zinc/68/34/46/568683446.db2.gz HPSHRXSBCULNTK-FQEVSTJZSA-N 2 2 442.564 1.053 40 0 IDABLP CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCc3[nH]c4cc(C)c(C)cc4[nH+]3)CC[C@@H]2O)CC1 ZINC000257241725 568684684 /nfs/dbraw/zinc/68/46/84/568684684.db2.gz HZJFDRCINRANMA-VXKWHMMOSA-N 2 2 441.576 1.628 40 0 IDABLP C[N@@H+]1CCO[C@](Cc2ccccc2)(C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328201 568723243 /nfs/dbraw/zinc/72/32/43/568723243.db2.gz XEPIHPWCMGZVPW-DHLKQENFSA-N 2 2 436.556 1.128 40 0 IDABLP C[N@H+]1CCO[C@](Cc2ccccc2)(C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328201 568723246 /nfs/dbraw/zinc/72/32/46/568723246.db2.gz XEPIHPWCMGZVPW-DHLKQENFSA-N 2 2 436.556 1.128 40 0 IDABLP C[NH+]1CCO[C@](Cc2ccccc2)(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328201 568723248 /nfs/dbraw/zinc/72/32/48/568723248.db2.gz XEPIHPWCMGZVPW-DHLKQENFSA-N 2 2 436.556 1.128 40 0 IDABLP C[NH+]1CCO[C@](Cc2ccccc2)(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328201 568723250 /nfs/dbraw/zinc/72/32/50/568723250.db2.gz XEPIHPWCMGZVPW-DHLKQENFSA-N 2 2 436.556 1.128 40 0 IDABLP C[C@H](CO)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328998674 568808808 /nfs/dbraw/zinc/80/88/08/568808808.db2.gz JUKAMABJELLQGD-CQSZACIVSA-N 2 2 441.454 1.423 40 0 IDABLP C[NH+]1CCN(C[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000022926964 291322407 /nfs/dbraw/zinc/32/24/07/291322407.db2.gz QDSGZRSERHEEEI-JENIJYKNSA-N 2 2 427.014 1.576 40 0 biogenic,in-vitro IDABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCC[NH+](C)C)c(OC)c3)C2)nc[nH+]1 ZINC000257228281 556709024 /nfs/dbraw/zinc/70/90/24/556709024.db2.gz FTHHOYOBVMSAAW-HSZRJFAPSA-N 3 2 444.580 1.588 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCC[NH+](C)C)c(OC)c3)C2)[nH+]cn1 ZINC000257228281 556709026 /nfs/dbraw/zinc/70/90/26/556709026.db2.gz FTHHOYOBVMSAAW-HSZRJFAPSA-N 3 2 444.580 1.588 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OC)c(OCCOC)c3)C2)nc[nH+]1 ZINC000257248524 556711245 /nfs/dbraw/zinc/71/12/45/556711245.db2.gz JEAMJJJFTPQYOZ-JOCHJYFZSA-N 2 2 431.537 1.673 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OC)c(OCCOC)c3)C2)[nH+]cn1 ZINC000257248524 556711248 /nfs/dbraw/zinc/71/12/48/556711248.db2.gz JEAMJJJFTPQYOZ-JOCHJYFZSA-N 2 2 431.537 1.673 40 0 IDABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585272981 568618078 /nfs/dbraw/zinc/61/80/78/568618078.db2.gz OAUZMTGNNUMPKY-DEOSSOPVSA-N 2 2 426.561 1.866 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585272981 568618081 /nfs/dbraw/zinc/61/80/81/568618081.db2.gz OAUZMTGNNUMPKY-DEOSSOPVSA-N 2 2 426.561 1.866 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000585272981 568618086 /nfs/dbraw/zinc/61/80/86/568618086.db2.gz OAUZMTGNNUMPKY-DEOSSOPVSA-N 2 2 426.561 1.866 40 0 IDABLP Cc1cc(N2CC[C@](O)(CNC(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000257216489 568672836 /nfs/dbraw/zinc/67/28/36/568672836.db2.gz CUSJOCHXODLSRT-DEOSSOPVSA-N 2 2 441.551 1.936 40 0 IDABLP Cc1cc(N2CC[C@@](O)(CNC(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000257216490 568672863 /nfs/dbraw/zinc/67/28/63/568672863.db2.gz CUSJOCHXODLSRT-XMMPIXPASA-N 2 2 441.551 1.936 40 0 IDABLP Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257288216 568705898 /nfs/dbraw/zinc/70/58/98/568705898.db2.gz PTJQUJJDYMQVLY-HSZRJFAPSA-N 2 2 427.549 1.829 40 0 IDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH3+])cc3)C2)c2cnccc2[nH+]1 ZINC000257291255 568707331 /nfs/dbraw/zinc/70/73/31/568707331.db2.gz QGGNKNNZEFVCAZ-XMMPIXPASA-N 2 2 435.528 1.989 40 0 IDABLP C[NH+](C)CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257297076 568710025 /nfs/dbraw/zinc/71/00/25/568710025.db2.gz RFSFNSKJSFOJIS-PXNSSMCTSA-N 2 2 436.984 1.662 40 0 IDABLP C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@H+](C)CC3=O)CC1 ZINC000253394161 569208540 /nfs/dbraw/zinc/20/85/40/569208540.db2.gz AMTSOTWOSGAOHR-HJIDZEHQSA-N 2 2 440.588 1.696 40 0 IDABLP C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@@H+](C)CC3=O)CC1 ZINC000253394161 569208542 /nfs/dbraw/zinc/20/85/42/569208542.db2.gz AMTSOTWOSGAOHR-HJIDZEHQSA-N 2 2 440.588 1.696 40 0 IDABLP COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008635651 291323647 /nfs/dbraw/zinc/32/36/47/291323647.db2.gz PVKMWOKJRARHSN-CNNODRBYSA-N 2 2 449.640 1.769 40 0 biogenic,in-vitro IDABLP Cc1cc(N2CCC[C@@](O)(CNC(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257248570 556711220 /nfs/dbraw/zinc/71/12/20/556711220.db2.gz JEGMUJCNPNVMLQ-XMMPIXPASA-N 2 2 439.560 1.907 40 0 IDABLP C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257297428 556717174 /nfs/dbraw/zinc/71/71/74/556717174.db2.gz RHFDHPWYABPTAU-XMMPIXPASA-N 2 2 440.544 1.392 40 0 IDABLP C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257297428 556717176 /nfs/dbraw/zinc/71/71/76/556717176.db2.gz RHFDHPWYABPTAU-XMMPIXPASA-N 2 2 440.544 1.392 40 0 IDABLP C[NH+](C)CCN1CC[NH+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3csnn3)C2)CC1 ZINC000019582859 556820377 /nfs/dbraw/zinc/82/03/77/556820377.db2.gz SPHASHXOCFBEDF-VQTJNVASSA-N 2 2 428.606 1.427 40 0 IDABLP COc1cccc(N2CCC(O)(C[N@@H+]3CC[C@@H]4[C@H](C3)CCCC[NH+]4CC(N)=O)CC2)c1 ZINC000585282576 557221540 /nfs/dbraw/zinc/22/15/40/557221540.db2.gz HERVPCIFENRWQD-SIKLNZKXSA-N 2 2 430.593 1.688 40 0 IDABLP COc1cccc(N2CCC(O)(C[N@H+]3CC[C@@H]4[C@H](C3)CCCC[NH+]4CC(N)=O)CC2)c1 ZINC000585282576 557221544 /nfs/dbraw/zinc/22/15/44/557221544.db2.gz HERVPCIFENRWQD-SIKLNZKXSA-N 2 2 430.593 1.688 40 0 IDABLP COc1cccc(N2CCC(O)(C[NH+]3CC[C@@H]4[C@H](C3)CCCC[N@@H+]4CC(N)=O)CC2)c1 ZINC000585282576 557221547 /nfs/dbraw/zinc/22/15/47/557221547.db2.gz HERVPCIFENRWQD-SIKLNZKXSA-N 2 2 430.593 1.688 40 0 IDABLP COc1cccc(N2CCC(O)(C[NH+]3CC[C@@H]4[C@H](C3)CCCC[N@H+]4CC(N)=O)CC2)c1 ZINC000585282576 557221552 /nfs/dbraw/zinc/22/15/52/557221552.db2.gz HERVPCIFENRWQD-SIKLNZKXSA-N 2 2 430.593 1.688 40 0 IDABLP CC(=O)NCCCC[C@H]([NH3+])C(=O)N(C)CC1(O)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000257213165 568671398 /nfs/dbraw/zinc/67/13/98/568671398.db2.gz CGKOJJOQFZSNIE-IBGZPJMESA-N 2 2 442.564 1.053 40 0 IDABLP Cc1cc(N2CC[C@](O)(CNC(=O)c3ccc(OCC[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257237303 568682436 /nfs/dbraw/zinc/68/24/36/568682436.db2.gz HFXASFPCXAIITJ-QHCPKHFHSA-N 2 2 425.533 1.631 40 0 IDABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CN2CC[NH+](CCO)CC2)n1 ZINC000257241506 568684344 /nfs/dbraw/zinc/68/43/44/568684344.db2.gz HYGVRMIBFGWUEP-FQEVSTJZSA-N 2 2 426.565 1.664 40 0 IDABLP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)C[N@H+](Cc3ccc[nH]3)CCO2)CC1 ZINC000257298060 568710372 /nfs/dbraw/zinc/71/03/72/568710372.db2.gz RJYNRBQLTMQVPI-HSZRJFAPSA-N 2 2 430.524 1.968 40 0 IDABLP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)C[N@@H+](Cc3ccc[nH]3)CCO2)CC1 ZINC000257298060 568710375 /nfs/dbraw/zinc/71/03/75/568710375.db2.gz RJYNRBQLTMQVPI-HSZRJFAPSA-N 2 2 430.524 1.968 40 0 IDABLP C[NH+]1CCN(C[C@]2(O)CC[N@H+](CC(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000257330415 568724483 /nfs/dbraw/zinc/72/44/83/568724483.db2.gz XOHDGSWUOHIHPG-HSZRJFAPSA-N 2 2 425.533 1.497 40 0 IDABLP C[NH+]1CCN(C[C@]2(O)CC[N@@H+](CC(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000257330415 568724486 /nfs/dbraw/zinc/72/44/86/568724486.db2.gz XOHDGSWUOHIHPG-HSZRJFAPSA-N 2 2 425.533 1.497 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cccc(OCC[NH+](C)C)c3)C2)nc[nH+]1 ZINC000257340818 568728933 /nfs/dbraw/zinc/72/89/33/568728933.db2.gz ZHQCNJRNYXXDPS-JOCHJYFZSA-N 2 2 428.537 1.220 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cccc(OCC[NH+](C)C)c3)C2)[nH+]cn1 ZINC000257340818 568728936 /nfs/dbraw/zinc/72/89/36/568728936.db2.gz ZHQCNJRNYXXDPS-JOCHJYFZSA-N 2 2 428.537 1.220 40 0 IDABLP OCCNc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328980032 568808386 /nfs/dbraw/zinc/80/83/86/568808386.db2.gz GKVUYZGIQZSDRX-UHFFFAOYSA-N 2 2 427.427 1.034 40 0 IDABLP C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[NH2+]CC3=O)CC1 ZINC000253406489 569265255 /nfs/dbraw/zinc/26/52/55/569265255.db2.gz UPRUANRJIFBMHV-WXXRXALHSA-N 2 2 426.561 1.354 40 0 IDABLP CC(=O)N[C@@H]1CO[C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C[C@@]1(C)O ZINC000257220149 556707447 /nfs/dbraw/zinc/70/74/47/556707447.db2.gz DJSZZBUQSQLBPR-MOUTVQLLSA-N 2 2 431.577 1.528 40 0 IDABLP CC(=O)N[C@@H]1CO[C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C[C@@]1(C)O ZINC000257220149 556707452 /nfs/dbraw/zinc/70/74/52/556707452.db2.gz DJSZZBUQSQLBPR-MOUTVQLLSA-N 2 2 431.577 1.528 40 0 IDABLP Cc1cc(N2CCC[C@](O)(CNC(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257248569 556711417 /nfs/dbraw/zinc/71/14/17/556711417.db2.gz JEGMUJCNPNVMLQ-DEOSSOPVSA-N 2 2 439.560 1.907 40 0 IDABLP CC(C)OCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019450440 556761328 /nfs/dbraw/zinc/76/13/28/556761328.db2.gz CVWXBUVXQBKIRJ-HXUWFJFHSA-N 2 2 445.608 1.328 40 0 IDABLP CC(C)OCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019450440 556761330 /nfs/dbraw/zinc/76/13/30/556761330.db2.gz CVWXBUVXQBKIRJ-HXUWFJFHSA-N 2 2 445.608 1.328 40 0 IDABLP CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N3CC[NH+](C)CC3)cn21 ZINC000096156808 557182146 /nfs/dbraw/zinc/18/21/46/557182146.db2.gz FACAXFZHRCCRFN-HXUWFJFHSA-N 2 2 425.581 1.594 40 0 IDABLP CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N3CC[NH+](C)CC3)cn21 ZINC000096156808 557182151 /nfs/dbraw/zinc/18/21/51/557182151.db2.gz FACAXFZHRCCRFN-HXUWFJFHSA-N 2 2 425.581 1.594 40 0 IDABLP O=C(NCC[NH+]1CCOCC1)c1ccc2nnc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2c1 ZINC000096267556 557193164 /nfs/dbraw/zinc/19/31/64/557193164.db2.gz DNELMUOHLYGCQS-IBGZPJMESA-N 2 2 435.532 1.176 40 0 IDABLP O=C(NCC[NH+]1CCOCC1)c1ccc2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2c1 ZINC000096267556 557193169 /nfs/dbraw/zinc/19/31/69/557193169.db2.gz DNELMUOHLYGCQS-IBGZPJMESA-N 2 2 435.532 1.176 40 0 IDABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000585273003 557215494 /nfs/dbraw/zinc/21/54/94/557215494.db2.gz OIWLLQWVHPRUMR-DEOSSOPVSA-N 2 2 441.576 1.651 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000585273003 557215496 /nfs/dbraw/zinc/21/54/96/557215496.db2.gz OIWLLQWVHPRUMR-DEOSSOPVSA-N 2 2 441.576 1.651 40 0 IDABLP COc1cc(C[N@H+](C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OCC[NH+](C)C ZINC000585270639 568617341 /nfs/dbraw/zinc/61/73/41/568617341.db2.gz AKBZUBILDSJUIO-QHCPKHFHSA-N 3 2 429.565 1.807 40 0 IDABLP COc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OCC[NH+](C)C ZINC000585270639 568617343 /nfs/dbraw/zinc/61/73/43/568617343.db2.gz AKBZUBILDSJUIO-QHCPKHFHSA-N 3 2 429.565 1.807 40 0 IDABLP COc1cc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OCC[NH+](C)C ZINC000585272950 568618031 /nfs/dbraw/zinc/61/80/31/568618031.db2.gz NQJUURGHKSAUMJ-DEOSSOPVSA-N 3 2 448.608 1.173 40 0 IDABLP COc1cc(C[N@H+]2CC[C@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OCC[NH+](C)C ZINC000585272950 568618035 /nfs/dbraw/zinc/61/80/35/568618035.db2.gz NQJUURGHKSAUMJ-DEOSSOPVSA-N 3 2 448.608 1.173 40 0 IDABLP Cc1cc(N2CC[C@@](O)(CNC(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257272450 568698906 /nfs/dbraw/zinc/69/89/06/568698906.db2.gz NCLSWEKHFJKCTN-HSZRJFAPSA-N 2 2 425.533 1.517 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257289018 568706172 /nfs/dbraw/zinc/70/61/72/568706172.db2.gz PWQXMBRSQDMWLB-JOCHJYFZSA-N 2 2 428.537 1.220 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(OCC[NH+](C)C)cc3)C2)[nH+]cn1 ZINC000257289018 568706174 /nfs/dbraw/zinc/70/61/74/568706174.db2.gz PWQXMBRSQDMWLB-JOCHJYFZSA-N 2 2 428.537 1.220 40 0 IDABLP CN(C)c1cc(N2CC[C@@](O)(C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257310666 556718438 /nfs/dbraw/zinc/71/84/38/556718438.db2.gz UGAQYVHUZKMQAI-HSZRJFAPSA-N 3 2 428.581 1.556 40 0 IDABLP CN(C)c1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257310666 556718441 /nfs/dbraw/zinc/71/84/41/556718441.db2.gz UGAQYVHUZKMQAI-HSZRJFAPSA-N 3 2 428.581 1.556 40 0 IDABLP CN(C)c1cc(N2CC[C@@](O)(C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)[nH+]cn1 ZINC000257310666 556718443 /nfs/dbraw/zinc/71/84/43/556718443.db2.gz UGAQYVHUZKMQAI-HSZRJFAPSA-N 3 2 428.581 1.556 40 0 IDABLP CN(C)c1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)[nH+]cn1 ZINC000257310666 556718445 /nfs/dbraw/zinc/71/84/45/556718445.db2.gz UGAQYVHUZKMQAI-HSZRJFAPSA-N 3 2 428.581 1.556 40 0 IDABLP CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccnc(N4CC[NH+](C)CC4)n2)CC3)CC1 ZINC000019496943 556769364 /nfs/dbraw/zinc/76/93/64/556769364.db2.gz JZEGNVMMABMEGN-UHFFFAOYSA-N 2 2 438.580 1.106 40 0 IDABLP CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccnc(N4CC[NH+](C)CC4)n2)CC3)CC1 ZINC000019496943 556769367 /nfs/dbraw/zinc/76/93/67/556769367.db2.gz JZEGNVMMABMEGN-UHFFFAOYSA-N 2 2 438.580 1.106 40 0 IDABLP COc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCCc3cn(C)c[nH+]3)C2)cc1C ZINC000585109153 557044321 /nfs/dbraw/zinc/04/43/21/557044321.db2.gz AXIXQBQOWKGWPX-NRSPTQNISA-N 2 2 427.549 1.718 40 0 IDABLP COc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCCc3cn(C)c[nH+]3)C2)cc1C ZINC000585109153 557044326 /nfs/dbraw/zinc/04/43/26/557044326.db2.gz AXIXQBQOWKGWPX-NRSPTQNISA-N 2 2 427.549 1.718 40 0 IDABLP CC(C)N1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CC[NH+](C)CC3)cn21 ZINC000107189625 557336001 /nfs/dbraw/zinc/33/60/01/557336001.db2.gz FACAXFZHRCCRFN-FQEVSTJZSA-N 2 2 425.581 1.594 40 0 IDABLP CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CC[NH+](C)CC3)cn21 ZINC000107189625 557336004 /nfs/dbraw/zinc/33/60/04/557336004.db2.gz FACAXFZHRCCRFN-FQEVSTJZSA-N 2 2 425.581 1.594 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270001 568616712 /nfs/dbraw/zinc/61/67/12/568616712.db2.gz AIFUZQQJURRMDF-XMMPIXPASA-N 2 2 441.576 1.499 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270001 568616713 /nfs/dbraw/zinc/61/67/13/568616713.db2.gz AIFUZQQJURRMDF-XMMPIXPASA-N 2 2 441.576 1.499 40 0 IDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH3+])cc3)C2)c2cnccc2[nH+]1 ZINC000257291254 568707429 /nfs/dbraw/zinc/70/74/29/568707429.db2.gz QGGNKNNZEFVCAZ-DEOSSOPVSA-N 2 2 435.528 1.989 40 0 IDABLP C[N@@H+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328202 568723708 /nfs/dbraw/zinc/72/37/08/568723708.db2.gz XEPIHPWCMGZVPW-RCZVLFRGSA-N 2 2 436.556 1.128 40 0 IDABLP C[N@H+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328202 568723709 /nfs/dbraw/zinc/72/37/09/568723709.db2.gz XEPIHPWCMGZVPW-RCZVLFRGSA-N 2 2 436.556 1.128 40 0 IDABLP C[NH+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328202 568723710 /nfs/dbraw/zinc/72/37/10/568723710.db2.gz XEPIHPWCMGZVPW-RCZVLFRGSA-N 2 2 436.556 1.128 40 0 IDABLP C[NH+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(N)=O)C1 ZINC000257328202 568723711 /nfs/dbraw/zinc/72/37/11/568723711.db2.gz XEPIHPWCMGZVPW-RCZVLFRGSA-N 2 2 436.556 1.128 40 0 IDABLP OCCCNc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329011509 568809315 /nfs/dbraw/zinc/80/93/15/568809315.db2.gz MFYQPKQQYWNEIC-UHFFFAOYSA-N 2 2 441.454 1.424 40 0 IDABLP NC(=O)C1CC[NH+]([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccc(-c4ccccc4)cc3)[C@@H]2O)CC1 ZINC000020463883 526858160 /nfs/dbraw/zinc/85/81/60/526858160.db2.gz FZTQRIIDSYCUEZ-COWNTTACSA-N 2 2 437.540 1.494 40 0 biogenic,in-vitro IDABLP O=C(CCn1cc[nH+]c1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257227072 556708574 /nfs/dbraw/zinc/70/85/74/556708574.db2.gz FNMSZAONZZQZHE-WPFOTENUSA-N 2 2 426.561 1.963 40 0 IDABLP O=C(NC1CS(=O)(=O)C1)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101880 557035092 /nfs/dbraw/zinc/03/50/92/557035092.db2.gz HUJGXYLLTNFHCJ-HXUWFJFHSA-N 2 2 444.557 1.014 40 0 IDABLP O=C(NC1CS(=O)(=O)C1)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101880 557035094 /nfs/dbraw/zinc/03/50/94/557035094.db2.gz HUJGXYLLTNFHCJ-HXUWFJFHSA-N 2 2 444.557 1.014 40 0 IDABLP O[C@@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCN(c2cnccn2)C1 ZINC000585274260 557218533 /nfs/dbraw/zinc/21/85/33/557218533.db2.gz UUCHNKVOSYTTAO-HSZRJFAPSA-N 2 2 427.549 1.309 40 0 IDABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000585270792 568617295 /nfs/dbraw/zinc/61/72/95/568617295.db2.gz BCEMROXZOHQBHN-HSZRJFAPSA-N 2 2 427.549 1.261 40 0 IDABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000585270792 568617297 /nfs/dbraw/zinc/61/72/97/568617297.db2.gz BCEMROXZOHQBHN-HSZRJFAPSA-N 2 2 427.549 1.261 40 0 IDABLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257297062 568710141 /nfs/dbraw/zinc/71/01/41/568710141.db2.gz RFPZZCKHCJEILM-UNMCSNQZSA-N 2 2 439.560 1.652 40 0 IDABLP C[N@@H+]1[C@@H]2CCN(Cc3[nH]cc[nH+]3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000096536579 291322521 /nfs/dbraw/zinc/32/25/21/291322521.db2.gz KTULLBQPMRPYKB-UEXGIBASSA-N 2 2 428.512 1.019 40 0 biogenic,in-vitro IDABLP C[N@H+]1[C@@H]2CCN(Cc3[nH]cc[nH+]3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000096536579 291322525 /nfs/dbraw/zinc/32/25/25/291322525.db2.gz KTULLBQPMRPYKB-UEXGIBASSA-N 2 2 428.512 1.019 40 0 biogenic,in-vitro IDABLP C[NH2+]CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000257323599 556704570 /nfs/dbraw/zinc/70/45/70/556704570.db2.gz WLAORKCPUZSZCN-HTDNTCHWSA-N 2 2 442.535 1.233 40 0 IDABLP COCCOc1cc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OC ZINC000257223250 556708195 /nfs/dbraw/zinc/70/81/95/556708195.db2.gz DWNXGPGAXHYTPE-QHCPKHFHSA-N 2 2 435.565 1.258 40 0 IDABLP COCCOc1cc(C[N@H+]2CC[C@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OC ZINC000257223250 556708198 /nfs/dbraw/zinc/70/81/98/556708198.db2.gz DWNXGPGAXHYTPE-QHCPKHFHSA-N 2 2 435.565 1.258 40 0 IDABLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000057544388 556747995 /nfs/dbraw/zinc/74/79/95/556747995.db2.gz YTYCDCBTTDXPNH-RTBURBONSA-N 2 2 436.622 1.721 40 0 IDABLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4nccs4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056190 557167211 /nfs/dbraw/zinc/16/72/11/557167211.db2.gz JJXMEXBRGGADLD-UGKGYDQZSA-N 2 2 444.605 1.450 40 0 IDABLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4nccs4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056190 557167216 /nfs/dbraw/zinc/16/72/16/557167216.db2.gz JJXMEXBRGGADLD-UGKGYDQZSA-N 2 2 444.605 1.450 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4nccs4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056190 557167219 /nfs/dbraw/zinc/16/72/19/557167219.db2.gz JJXMEXBRGGADLD-UGKGYDQZSA-N 2 2 444.605 1.450 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4nccs4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056190 557167223 /nfs/dbraw/zinc/16/72/23/557167223.db2.gz JJXMEXBRGGADLD-UGKGYDQZSA-N 2 2 444.605 1.450 40 0 IDABLP Cn1c[nH+]c2c1[C@@H](C(=O)N1CCN(c3cc[nH+]cc3)CC1)N(C(=O)c1ccccc1)CC2 ZINC000096147203 557177030 /nfs/dbraw/zinc/17/70/30/557177030.db2.gz XVAVQCYVGGSEQN-QFIPXVFZSA-N 2 2 430.512 1.904 40 0 IDABLP O=C(NCC[NH+]1CCOCC1)c1ccc2nnc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2c1 ZINC000096267557 557193287 /nfs/dbraw/zinc/19/32/87/557193287.db2.gz DNELMUOHLYGCQS-LJQANCHMSA-N 2 2 435.532 1.176 40 0 IDABLP O=C(NCC[NH+]1CCOCC1)c1ccc2nnc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2c1 ZINC000096267557 557193291 /nfs/dbraw/zinc/19/32/91/557193291.db2.gz DNELMUOHLYGCQS-LJQANCHMSA-N 2 2 435.532 1.176 40 0 IDABLP O[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000585271739 557216242 /nfs/dbraw/zinc/21/62/42/557216242.db2.gz HAQOABRVWHMTEB-UIOOFZCWSA-N 2 2 436.600 1.886 40 0 IDABLP O[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000585271739 557216247 /nfs/dbraw/zinc/21/62/47/557216247.db2.gz HAQOABRVWHMTEB-UIOOFZCWSA-N 2 2 436.600 1.886 40 0 IDABLP COc1cc(C[NH2+]C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OCCC[NH+](C)C ZINC000585270659 568617240 /nfs/dbraw/zinc/61/72/40/568617240.db2.gz ALYBLGBFJZTLPF-HSZRJFAPSA-N 3 2 429.565 1.855 40 0 IDABLP COc1cc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OCC[NH+](C)C ZINC000585272954 568618116 /nfs/dbraw/zinc/61/81/16/568618116.db2.gz NQJUURGHKSAUMJ-XMMPIXPASA-N 3 2 448.608 1.173 40 0 IDABLP COc1cc(C[N@H+]2CC[C@@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OCC[NH+](C)C ZINC000585272954 568618118 /nfs/dbraw/zinc/61/81/18/568618118.db2.gz NQJUURGHKSAUMJ-XMMPIXPASA-N 3 2 448.608 1.173 40 0 IDABLP C[NH+](C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257222765 568675344 /nfs/dbraw/zinc/67/53/44/568675344.db2.gz DUQHFHPWYNSYPD-HTDNTCHWSA-N 2 2 427.520 1.811 40 0 IDABLP C[NH+](C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257222765 568675348 /nfs/dbraw/zinc/67/53/48/568675348.db2.gz DUQHFHPWYNSYPD-HTDNTCHWSA-N 2 2 427.520 1.811 40 0 IDABLP C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257279730 568702292 /nfs/dbraw/zinc/70/22/92/568702292.db2.gz OHXWKURZLNZBJP-FPOVZHCZSA-N 2 2 425.533 1.343 40 0 IDABLP Cc1n[nH]cc1C[N@@H+]1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257316964 568718435 /nfs/dbraw/zinc/71/84/35/568718435.db2.gz VHSQEZMYDDQKRS-HSZRJFAPSA-N 2 2 445.539 1.671 40 0 IDABLP Cc1n[nH]cc1C[N@H+]1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257316964 568718437 /nfs/dbraw/zinc/71/84/37/568718437.db2.gz VHSQEZMYDDQKRS-HSZRJFAPSA-N 2 2 445.539 1.671 40 0 IDABLP CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccc(OCC[NH+](C)C)c3)C2)nc[nH+]1 ZINC000257328132 568723433 /nfs/dbraw/zinc/72/34/33/568723433.db2.gz XEHPRCPAJALFBE-QHCPKHFHSA-N 2 2 442.564 1.562 40 0 IDABLP CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccc(OCC[NH+](C)C)c3)C2)[nH+]cn1 ZINC000257328132 568723435 /nfs/dbraw/zinc/72/34/35/568723435.db2.gz XEHPRCPAJALFBE-QHCPKHFHSA-N 2 2 442.564 1.562 40 0 IDABLP Cc1cc(N2CC[C@](O)(CNC(=O)C3(Cc4ccccc4F)CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000257336197 568726791 /nfs/dbraw/zinc/72/67/91/568726791.db2.gz YNMXJXQZNXBBOF-DEOSSOPVSA-N 2 2 441.551 1.936 40 0 IDABLP Cc1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCCCN4CCCC4=O)cc3)C2)nc[nH+]1 ZINC000257203677 556701614 /nfs/dbraw/zinc/70/16/14/556701614.db2.gz ARBVABCFIATGKZ-XMMPIXPASA-N 2 2 439.560 1.907 40 0 IDABLP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000257212209 556702640 /nfs/dbraw/zinc/70/26/40/556702640.db2.gz CCJJXNWAGQPLDS-GOTSBHOMSA-N 3 2 446.636 1.598 40 0 IDABLP COc1cc(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000257212209 556702641 /nfs/dbraw/zinc/70/26/41/556702641.db2.gz CCJJXNWAGQPLDS-GOTSBHOMSA-N 3 2 446.636 1.598 40 0 IDABLP CN1CC[NH+]([C@H]2CC[C@](CNC(=O)Cn3cc[nH+]c3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257257583 556712410 /nfs/dbraw/zinc/71/24/10/556712410.db2.gz KQGPRYXZOJRRBP-FIXSFTCYSA-N 2 2 425.577 1.488 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)CC1 ZINC000257264530 556713125 /nfs/dbraw/zinc/71/31/25/556713125.db2.gz LUVXQJNTLOLYKN-DEOSSOPVSA-N 3 2 430.593 1.056 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)CC1 ZINC000257264530 556713128 /nfs/dbraw/zinc/71/31/28/556713128.db2.gz LUVXQJNTLOLYKN-DEOSSOPVSA-N 3 2 430.593 1.056 40 0 IDABLP CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](O)C1 ZINC000257289803 556715952 /nfs/dbraw/zinc/71/59/52/556715952.db2.gz QAGNSCJDTXBIIR-NJDAHSKKSA-N 2 2 435.565 1.340 40 0 IDABLP COc1cc(C[N@@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290675 556715976 /nfs/dbraw/zinc/71/59/76/556715976.db2.gz QDWSPZDRRIOMKL-VWLOTQADSA-N 2 2 441.572 1.825 40 0 IDABLP COc1cc(C[N@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290675 556715979 /nfs/dbraw/zinc/71/59/79/556715979.db2.gz QDWSPZDRRIOMKL-VWLOTQADSA-N 2 2 441.572 1.825 40 0 IDABLP C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257297427 556716946 /nfs/dbraw/zinc/71/69/46/556716946.db2.gz RHFDHPWYABPTAU-DEOSSOPVSA-N 2 2 440.544 1.392 40 0 IDABLP C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257297427 556716950 /nfs/dbraw/zinc/71/69/50/556716950.db2.gz RHFDHPWYABPTAU-DEOSSOPVSA-N 2 2 440.544 1.392 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000257307920 556718208 /nfs/dbraw/zinc/71/82/08/556718208.db2.gz TUSQTYZGLAWCAY-XMMPIXPASA-N 2 2 441.576 1.536 40 0 IDABLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000257307920 556718210 /nfs/dbraw/zinc/71/82/10/556718210.db2.gz TUSQTYZGLAWCAY-XMMPIXPASA-N 2 2 441.576 1.536 40 0 IDABLP CCOCC[NH+]1CCN(C(=O)C[NH+]2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1 ZINC000019531068 556791598 /nfs/dbraw/zinc/79/15/98/556791598.db2.gz CZXMWMFLLVZEFG-UHFFFAOYSA-N 2 2 445.608 1.330 40 0 IDABLP O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000257205697 556980089 /nfs/dbraw/zinc/98/00/89/556980089.db2.gz BAFYVYMMJBKAMP-VQTJNVASSA-N 2 2 443.592 1.082 40 0 IDABLP O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000257205697 556980091 /nfs/dbraw/zinc/98/00/91/556980091.db2.gz BAFYVYMMJBKAMP-VQTJNVASSA-N 2 2 443.592 1.082 40 0 IDABLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccoc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056187 557167433 /nfs/dbraw/zinc/16/74/33/557167433.db2.gz ATGOJXBQLLBZRT-GMAHTHKFSA-N 2 2 427.549 1.586 40 0 IDABLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccoc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056187 557167438 /nfs/dbraw/zinc/16/74/38/557167438.db2.gz ATGOJXBQLLBZRT-GMAHTHKFSA-N 2 2 427.549 1.586 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccoc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056187 557167443 /nfs/dbraw/zinc/16/74/43/557167443.db2.gz ATGOJXBQLLBZRT-GMAHTHKFSA-N 2 2 427.549 1.586 40 0 IDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccoc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056187 557167447 /nfs/dbraw/zinc/16/74/47/557167447.db2.gz ATGOJXBQLLBZRT-GMAHTHKFSA-N 2 2 427.549 1.586 40 0 IDABLP Cc1ccc(C)n1-n1c(CCCN2CC[NH+](C)CC2)nnc1CCCN1CC[NH+](C)CC1 ZINC000225153315 557693021 /nfs/dbraw/zinc/69/30/21/557693021.db2.gz SAAAIWVMDRMNQT-UHFFFAOYSA-N 2 2 442.656 1.368 40 0 IDABLP Cc1cc(N2CC[C@@](O)(C[N@H+](C)Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)ncn1 ZINC000585271647 568616742 /nfs/dbraw/zinc/61/67/42/568616742.db2.gz GKALAPXXBNZOPU-XMMPIXPASA-N 2 2 441.576 1.569 40 0 IDABLP Cc1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)ncn1 ZINC000585271647 568616744 /nfs/dbraw/zinc/61/67/44/568616744.db2.gz GKALAPXXBNZOPU-XMMPIXPASA-N 2 2 441.576 1.569 40 0 IDABLP CCOc1cc(C[N@@H+]2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCC[NH+]1CCOCC1 ZINC000585270880 568617705 /nfs/dbraw/zinc/61/77/05/568617705.db2.gz CAVGYPBLPWQSJB-XMMPIXPASA-N 2 2 449.592 1.065 40 0 IDABLP CCOc1cc(C[N@H+]2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCC[NH+]1CCOCC1 ZINC000585270880 568617707 /nfs/dbraw/zinc/61/77/07/568617707.db2.gz CAVGYPBLPWQSJB-XMMPIXPASA-N 2 2 449.592 1.065 40 0 IDABLP Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@H+]1CC[C@@](O)(CN2CC[NH+](C)CC2)C1 ZINC000257204119 568667004 /nfs/dbraw/zinc/66/70/04/568667004.db2.gz ATCTXEOXVKGTIP-XMMPIXPASA-N 2 2 440.592 1.171 40 0 IDABLP Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@@H+]1CC[C@@](O)(CN2CC[NH+](C)CC2)C1 ZINC000257204119 568667008 /nfs/dbraw/zinc/66/70/08/568667008.db2.gz ATCTXEOXVKGTIP-XMMPIXPASA-N 2 2 440.592 1.171 40 0 IDABLP CCCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C(C)=O)CC2)CC1 ZINC000257208401 568668894 /nfs/dbraw/zinc/66/88/94/568668894.db2.gz BMAHMIWTGLQQSH-VXKWHMMOSA-N 2 2 441.576 1.505 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccc(OCC[NH+](C)C)c3)C2)nc[nH+]1 ZINC000257328131 568723321 /nfs/dbraw/zinc/72/33/21/568723321.db2.gz XEHPRCPAJALFBE-HSZRJFAPSA-N 2 2 442.564 1.562 40 0 IDABLP CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccc(OCC[NH+](C)C)c3)C2)[nH+]cn1 ZINC000257328131 568723325 /nfs/dbraw/zinc/72/33/25/568723325.db2.gz XEHPRCPAJALFBE-HSZRJFAPSA-N 2 2 442.564 1.562 40 0 IDABLP C[N@@H+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328204 568723526 /nfs/dbraw/zinc/72/35/26/568723526.db2.gz XEPIHPWCMGZVPW-WIOPSUGQSA-N 2 2 436.556 1.128 40 0 IDABLP C[N@H+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328204 568723529 /nfs/dbraw/zinc/72/35/29/568723529.db2.gz XEPIHPWCMGZVPW-WIOPSUGQSA-N 2 2 436.556 1.128 40 0 IDABLP C[NH+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328204 568723531 /nfs/dbraw/zinc/72/35/31/568723531.db2.gz XEPIHPWCMGZVPW-WIOPSUGQSA-N 2 2 436.556 1.128 40 0 IDABLP C[NH+]1CCO[C@@](Cc2ccccc2)(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(N)=O)C1 ZINC000257328204 568723533 /nfs/dbraw/zinc/72/35/33/568723533.db2.gz XEPIHPWCMGZVPW-WIOPSUGQSA-N 2 2 436.556 1.128 40 0 IDABLP