smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)on1 ZINC000012482965 519709460 /nfs/dbraw/zinc/70/94/60/519709460.db2.gz VVFSGKKGILQEOM-SFTDATJTSA-N 2 2 439.604 2.680 40 0 biogenic,in-vitro IFABLP COc1ccccc1NC(=O)[C@@H]1CC[NH+](C)[C@H]1[C@@H]1CCC[N@@H+](Cc2cnc(OC)nc2)C1 ZINC000019590207 556825338 /nfs/dbraw/zinc/82/53/38/556825338.db2.gz PVKJKGRJHUIIHO-KNKQGSTJSA-N 2 2 439.560 2.665 40 0 IFABLP COc1ccccc1NC(=O)[C@@H]1CC[NH+](C)[C@H]1[C@@H]1CCC[N@H+](Cc2cnc(OC)nc2)C1 ZINC000019590207 556825341 /nfs/dbraw/zinc/82/53/41/556825341.db2.gz PVKJKGRJHUIIHO-KNKQGSTJSA-N 2 2 439.560 2.665 40 0 IFABLP COc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)[C@H]1[C@@H]1CCC[NH+](Cc2cnc(OC)nc2)C1 ZINC000019590207 556825344 /nfs/dbraw/zinc/82/53/44/556825344.db2.gz PVKJKGRJHUIIHO-KNKQGSTJSA-N 2 2 439.560 2.665 40 0 IFABLP COc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1[C@@H]1CCC[NH+](Cc2cnc(OC)nc2)C1 ZINC000019590207 556825345 /nfs/dbraw/zinc/82/53/45/556825345.db2.gz PVKJKGRJHUIIHO-KNKQGSTJSA-N 2 2 439.560 2.665 40 0 IFABLP CN(C)c1cc(CN(C)C(=O)C[N@H+](C)Cc2ccc(F)cc2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709847 556871413 /nfs/dbraw/zinc/87/14/13/556871413.db2.gz HBLSRUOAEIELFE-FQEVSTJZSA-N 2 2 428.556 2.587 40 0 IFABLP CN(C)c1cc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709847 556871417 /nfs/dbraw/zinc/87/14/17/556871417.db2.gz HBLSRUOAEIELFE-FQEVSTJZSA-N 2 2 428.556 2.587 40 0 IFABLP CC1(C)C=C(CC(=O)N2CCO[C@@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)CC(C)(C)[NH2+]1 ZINC000072370864 556936876 /nfs/dbraw/zinc/93/68/76/556936876.db2.gz VHRPOCWUKVWWNC-LJQANCHMSA-N 2 2 436.560 2.888 40 0 IFABLP O[C@]1(COc2ccccc2)CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000585270342 557214019 /nfs/dbraw/zinc/21/40/19/557214019.db2.gz BTIVWPVYYGJHLI-RUZDIDTESA-N 2 2 426.557 2.804 40 0 IFABLP O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000585270342 557214024 /nfs/dbraw/zinc/21/40/24/557214024.db2.gz BTIVWPVYYGJHLI-RUZDIDTESA-N 2 2 426.557 2.804 40 0 IFABLP S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1CCC[NH+]1CCOCC1 ZINC000223173165 557441470 /nfs/dbraw/zinc/44/14/70/557441470.db2.gz XKPIDEDKUFHSEO-PKTZIBPZSA-N 2 2 448.596 2.962 40 0 IFABLP CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000585271000 568617620 /nfs/dbraw/zinc/61/76/20/568617620.db2.gz CUBAYHCORYHCBZ-JOCHJYFZSA-N 2 2 444.572 2.668 40 0 IFABLP CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000585271000 568617622 /nfs/dbraw/zinc/61/76/22/568617622.db2.gz CUBAYHCORYHCBZ-JOCHJYFZSA-N 2 2 444.572 2.668 40 0 IFABLP Ic1cccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228931506 569182337 /nfs/dbraw/zinc/18/23/37/569182337.db2.gz OXGIXQRIWGOAQP-UHFFFAOYSA-N 2 2 434.285 2.968 40 0 IFABLP O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013540737 556513614 /nfs/dbraw/zinc/51/36/14/556513614.db2.gz CXEOPBGOOGVGNI-TZRRMPRUSA-N 2 2 446.595 2.710 40 0 IFABLP COc1ccccc1NC(=O)[C@@H]1CC[NH+](C)[C@H]1[C@H]1CCC[N@@H+](Cc2cnc(OC)nc2)C1 ZINC000019590208 556825377 /nfs/dbraw/zinc/82/53/77/556825377.db2.gz PVKJKGRJHUIIHO-JQVVWYNYSA-N 2 2 439.560 2.665 40 0 IFABLP COc1ccccc1NC(=O)[C@@H]1CC[NH+](C)[C@H]1[C@H]1CCC[N@H+](Cc2cnc(OC)nc2)C1 ZINC000019590208 556825378 /nfs/dbraw/zinc/82/53/78/556825378.db2.gz PVKJKGRJHUIIHO-JQVVWYNYSA-N 2 2 439.560 2.665 40 0 IFABLP COc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)[C@H]1[C@H]1CCC[NH+](Cc2cnc(OC)nc2)C1 ZINC000019590208 556825379 /nfs/dbraw/zinc/82/53/79/556825379.db2.gz PVKJKGRJHUIIHO-JQVVWYNYSA-N 2 2 439.560 2.665 40 0 IFABLP COc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1[C@H]1CCC[NH+](Cc2cnc(OC)nc2)C1 ZINC000019590208 556825380 /nfs/dbraw/zinc/82/53/80/556825380.db2.gz PVKJKGRJHUIIHO-JQVVWYNYSA-N 2 2 439.560 2.665 40 0 IFABLP CNc1nc(C2CC[NH2+]CC2)nc2c1C[N@H+](CC(=O)N(C(C)C)C1CCCCC1)CC2 ZINC000019710505 556873723 /nfs/dbraw/zinc/87/37/23/556873723.db2.gz MISXMBGTVHGIBO-UHFFFAOYSA-N 2 2 428.625 2.913 40 0 IFABLP CNc1nc(C2CC[NH2+]CC2)nc2c1C[N@@H+](CC(=O)N(C(C)C)C1CCCCC1)CC2 ZINC000019710505 556873725 /nfs/dbraw/zinc/87/37/25/556873725.db2.gz MISXMBGTVHGIBO-UHFFFAOYSA-N 2 2 428.625 2.913 40 0 IFABLP CN(Cc1ncccn1)C(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101823 557035128 /nfs/dbraw/zinc/03/51/28/557035128.db2.gz DJNABQXQXXMUHH-JOCHJYFZSA-N 2 2 446.555 2.550 40 0 IFABLP CN(Cc1ncccn1)C(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101823 557035129 /nfs/dbraw/zinc/03/51/29/557035129.db2.gz DJNABQXQXXMUHH-JOCHJYFZSA-N 2 2 446.555 2.550 40 0 IFABLP c1ccc2c(c1)nc1n2[C@H]([C@H]2CC=CCC2)NC2=[NH+]CN(CCC[NH+]3CCOCC3)CN12 ZINC000059619751 557824304 /nfs/dbraw/zinc/82/43/04/557824304.db2.gz KWRZLJDGRAGQCY-SIKLNZKXSA-N 2 2 435.576 2.610 40 0 IFABLP Cc1cc(N2CC[C@](O)(C[N@H+](C)Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)nc[nH+]1 ZINC000585274666 568618372 /nfs/dbraw/zinc/61/83/72/568618372.db2.gz ZGZSXLMLPYWSJH-VWLOTQADSA-N 3 2 439.604 2.723 40 0 IFABLP Cc1cc(N2CC[C@](O)(C[N@@H+](C)Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)nc[nH+]1 ZINC000585274666 568618375 /nfs/dbraw/zinc/61/83/75/568618375.db2.gz ZGZSXLMLPYWSJH-VWLOTQADSA-N 3 2 439.604 2.723 40 0 IFABLP CNc1nc([C@H]2CCN(C(=O)COc3cc(C)[nH+]c4ccccc43)C2)nc2c1C[N@H+](C)CC2 ZINC000257316785 568718412 /nfs/dbraw/zinc/71/84/12/568718412.db2.gz VGZIQQHGBJDOIR-KRWDZBQOSA-N 2 2 446.555 2.758 40 0 IFABLP CNc1nc([C@H]2CCN(C(=O)COc3cc(C)[nH+]c4ccccc43)C2)nc2c1C[N@@H+](C)CC2 ZINC000257316785 568718415 /nfs/dbraw/zinc/71/84/15/568718415.db2.gz VGZIQQHGBJDOIR-KRWDZBQOSA-N 2 2 446.555 2.758 40 0 IFABLP CC[NH+]1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@@H](NCN[C@@H]4N[C@H](C)c4ccccc4)[NH2+]3)cc2)CC1 ZINC000604940865 568754899 /nfs/dbraw/zinc/75/48/99/568754899.db2.gz FZKTWZZPPTUYSG-GJVZRYLUSA-N 2 2 448.659 2.628 40 0 IFABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000067870849 291349806 /nfs/dbraw/zinc/34/98/06/291349806.db2.gz QSGBGSNKJGUTTI-CNNODRBYSA-N 2 2 426.536 2.681 40 0 biogenic,in-vitro IFABLP O[C@@H]1[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000096533294 291351869 /nfs/dbraw/zinc/35/18/69/291351869.db2.gz OXMTTXYWPJXZMT-UUFXTFJOSA-N 2 2 426.532 2.723 40 0 biogenic,in-vitro IFABLP CN(C)C(=O)c1cccc(COc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2Cl)c1 ZINC000000538490 132227576 /nfs/dbraw/zinc/22/75/76/132227576.db2.gz WJHBDAIAIDOONY-UHFFFAOYSA-N 2 2 428.924 2.806 40 0 IFABLP C[NH+]1CCN(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000044913721 556681327 /nfs/dbraw/zinc/68/13/27/556681327.db2.gz OKXLRZJQQUSFNK-UHFFFAOYSA-N 2 2 427.420 2.959 40 0 IFABLP CN1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000044913721 556681335 /nfs/dbraw/zinc/68/13/35/556681335.db2.gz OKXLRZJQQUSFNK-UHFFFAOYSA-N 2 2 427.420 2.959 40 0 IFABLP COc1ccc([C@@H]2NC3=[NH+]CN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960410 556955244 /nfs/dbraw/zinc/95/52/44/556955244.db2.gz GXMNYTXBWXHDCK-JOCHJYFZSA-N 2 2 449.559 2.548 40 0 IFABLP CN(Cc1ncccn1)C(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101826 557035149 /nfs/dbraw/zinc/03/51/49/557035149.db2.gz DJNABQXQXXMUHH-QFIPXVFZSA-N 2 2 446.555 2.550 40 0 IFABLP CN(Cc1ncccn1)C(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101826 557035151 /nfs/dbraw/zinc/03/51/51/557035151.db2.gz DJNABQXQXXMUHH-QFIPXVFZSA-N 2 2 446.555 2.550 40 0 IFABLP COCCOc1cc(C[NH+]2CC[C@@](O)(C[N@H+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269610 557212184 /nfs/dbraw/zinc/21/21/84/557212184.db2.gz BIUOCRXSBPGZPW-RUZDIDTESA-N 2 2 444.572 2.798 40 0 IFABLP COCCOc1cc(C[N@@H+]2CC[C@@](O)(C[NH+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269610 557212178 /nfs/dbraw/zinc/21/21/78/557212178.db2.gz BIUOCRXSBPGZPW-RUZDIDTESA-N 2 2 444.572 2.798 40 0 IFABLP COCCOc1cc(C[N@H+]2CC[C@@](O)(C[NH+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269610 557212181 /nfs/dbraw/zinc/21/21/81/557212181.db2.gz BIUOCRXSBPGZPW-RUZDIDTESA-N 2 2 444.572 2.798 40 0 IFABLP COCCOc1cc(C[NH+]2CC[C@@](O)(C[N@@H+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269610 557212188 /nfs/dbraw/zinc/21/21/88/557212188.db2.gz BIUOCRXSBPGZPW-RUZDIDTESA-N 2 2 444.572 2.798 40 0 IFABLP CCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271412 557214560 /nfs/dbraw/zinc/21/45/60/557214560.db2.gz YLABCWYXUCEJPZ-AREMUKBSSA-N 2 2 439.600 2.861 40 0 IFABLP CCOCCOc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271412 557214562 /nfs/dbraw/zinc/21/45/62/557214562.db2.gz YLABCWYXUCEJPZ-AREMUKBSSA-N 2 2 439.600 2.861 40 0 IFABLP CCOCCOc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271414 557214621 /nfs/dbraw/zinc/21/46/21/557214621.db2.gz YLABCWYXUCEJPZ-SANMLTNESA-N 2 2 439.600 2.861 40 0 IFABLP CCOCCOc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271414 557214625 /nfs/dbraw/zinc/21/46/25/557214625.db2.gz YLABCWYXUCEJPZ-SANMLTNESA-N 2 2 439.600 2.861 40 0 IFABLP OC1(COc2ccccc2F)CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000585281886 557220105 /nfs/dbraw/zinc/22/01/05/557220105.db2.gz SAPFPDCFWLXUNU-UHFFFAOYSA-N 2 2 444.547 2.943 40 0 IFABLP O[C@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000585282105 557221394 /nfs/dbraw/zinc/22/13/94/557221394.db2.gz XSWFFIPUPGJZGR-RUZDIDTESA-N 2 2 426.557 2.804 40 0 IFABLP O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000585282105 557221397 /nfs/dbraw/zinc/22/13/97/557221397.db2.gz XSWFFIPUPGJZGR-RUZDIDTESA-N 2 2 426.557 2.804 40 0 IFABLP S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1CC[NH+]1CCOCC1 ZINC000223130079 557436150 /nfs/dbraw/zinc/43/61/50/557436150.db2.gz CVDWINXPOYYBFC-FGZHOGPDSA-N 2 2 434.569 2.572 40 0 IFABLP S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1CC[NH+]1CCOCC1 ZINC000223130198 557436187 /nfs/dbraw/zinc/43/61/87/557436187.db2.gz CVDWINXPOYYBFC-YADHBBJMSA-N 2 2 434.569 2.572 40 0 IFABLP Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)CC[NH+]4CCOCC4)CCO3)c2)sc1C ZINC000257214768 568671986 /nfs/dbraw/zinc/67/19/86/568671986.db2.gz CNJKHHPJLZYPBV-FQEVSTJZSA-N 2 2 445.589 2.829 40 0 IFABLP C[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccc(-n4cc[nH+]c4)n3)cc2)CC1 ZINC000257273267 568699163 /nfs/dbraw/zinc/69/91/63/568699163.db2.gz NFXHGBTZVLFVTI-QHCPKHFHSA-N 3 2 445.571 2.795 40 0 IFABLP C[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3cccc(-n4cc[nH+]c4)n3)cc2)CC1 ZINC000257273267 568699166 /nfs/dbraw/zinc/69/91/66/568699166.db2.gz NFXHGBTZVLFVTI-QHCPKHFHSA-N 3 2 445.571 2.795 40 0 IFABLP CC[NH+]1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@H](NCN[C@@H]4N[C@H](C)c4ccccc4)[NH2+]3)cc2)CC1 ZINC000604940867 568754892 /nfs/dbraw/zinc/75/48/92/568754892.db2.gz FZKTWZZPPTUYSG-KPZQWKJOSA-N 2 2 448.659 2.628 40 0 IFABLP COc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)[C@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000306143115 568773202 /nfs/dbraw/zinc/77/32/02/568773202.db2.gz XTOYAZDHDAFPOQ-FCHUYYIVSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)[C@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000306143115 568773203 /nfs/dbraw/zinc/77/32/03/568773203.db2.gz XTOYAZDHDAFPOQ-FCHUYYIVSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[NH+]2CC[C@H](NS(C)(=O)=O)[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143115 568773204 /nfs/dbraw/zinc/77/32/04/568773204.db2.gz XTOYAZDHDAFPOQ-FCHUYYIVSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[NH+]2CC[C@H](NS(C)(=O)=O)[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143115 568773205 /nfs/dbraw/zinc/77/32/05/568773205.db2.gz XTOYAZDHDAFPOQ-FCHUYYIVSA-N 2 2 449.642 2.773 40 0 IFABLP COC(=O)c1ccc(OC)c(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)c1 ZINC000329063460 568810776 /nfs/dbraw/zinc/81/07/76/568810776.db2.gz XETBIBZUDKEEDU-UHFFFAOYSA-N 2 2 435.528 2.890 40 0 IFABLP c1ccc2c(c1)nc1n2[C@@H]([C@@H]2CC=CCC2)NC2=[NH+]CN(CCC[NH+]3CCOCC3)CN12 ZINC000226313225 569182906 /nfs/dbraw/zinc/18/29/06/569182906.db2.gz KWRZLJDGRAGQCY-KNQAVFIVSA-N 2 2 435.576 2.610 40 0 IFABLP O=S(=O)(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000012602421 527228198 /nfs/dbraw/zinc/22/81/98/527228198.db2.gz BDKNSLQPJUNAMT-ACIOBRDBSA-N 2 2 425.598 2.734 40 0 biogenic,in-vitro IFABLP O=S(=O)(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000012602421 527228203 /nfs/dbraw/zinc/22/82/03/527228203.db2.gz BDKNSLQPJUNAMT-ACIOBRDBSA-N 2 2 425.598 2.734 40 0 biogenic,in-vitro IFABLP O=S(=O)(NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000012602421 527228211 /nfs/dbraw/zinc/22/82/11/527228211.db2.gz BDKNSLQPJUNAMT-ACIOBRDBSA-N 2 2 425.598 2.734 40 0 biogenic,in-vitro IFABLP O=S(=O)(NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000012602421 527228217 /nfs/dbraw/zinc/22/82/17/527228217.db2.gz BDKNSLQPJUNAMT-ACIOBRDBSA-N 2 2 425.598 2.734 40 0 biogenic,in-vitro IFABLP O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013540739 556513551 /nfs/dbraw/zinc/51/35/51/556513551.db2.gz CXEOPBGOOGVGNI-KMDXXIMOSA-N 2 2 446.595 2.710 40 0 IFABLP Cc1cc(NC(=O)c2ccc3nnc([C@@H]4C[N@@H+](Cc5ccccn5)CCN4C)n3c2)cc[nH+]1 ZINC000096268024 557193675 /nfs/dbraw/zinc/19/36/75/557193675.db2.gz VZFYGAPLZUXPIV-NRFANRHFSA-N 2 2 442.527 2.569 40 0 IFABLP Cc1cc(NC(=O)c2ccc3nnc([C@@H]4C[N@H+](Cc5ccccn5)CCN4C)n3c2)cc[nH+]1 ZINC000096268024 557193678 /nfs/dbraw/zinc/19/36/78/557193678.db2.gz VZFYGAPLZUXPIV-NRFANRHFSA-N 2 2 442.527 2.569 40 0 IFABLP O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000585270344 557214163 /nfs/dbraw/zinc/21/41/63/557214163.db2.gz BTIVWPVYYGJHLI-VWLOTQADSA-N 2 2 426.557 2.804 40 0 IFABLP O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000585270344 557214167 /nfs/dbraw/zinc/21/41/67/557214167.db2.gz BTIVWPVYYGJHLI-VWLOTQADSA-N 2 2 426.557 2.804 40 0 IFABLP S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1CCC[NH+]1CCOCC1 ZINC000223173100 557441340 /nfs/dbraw/zinc/44/13/40/557441340.db2.gz XKPIDEDKUFHSEO-GOTSBHOMSA-N 2 2 448.596 2.962 40 0 IFABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@H]1c1ccccc1 ZINC000257274622 568699666 /nfs/dbraw/zinc/69/96/66/568699666.db2.gz NLXHBXBZMDNBOM-SGNDLWITSA-N 2 2 445.567 2.872 40 0 IFABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)N(C)C)[N@H+](C)[C@H]1c1ccccc1 ZINC000257274622 568699667 /nfs/dbraw/zinc/69/96/67/568699667.db2.gz NLXHBXBZMDNBOM-SGNDLWITSA-N 2 2 445.567 2.872 40 0 IFABLP CNc1nc([C@@H]2CCN(C(=O)COc3cc(C)[nH+]c4ccccc43)C2)nc2c1C[N@H+](C)CC2 ZINC000257316786 568718686 /nfs/dbraw/zinc/71/86/86/568718686.db2.gz VGZIQQHGBJDOIR-QGZVFWFLSA-N 2 2 446.555 2.758 40 0 IFABLP CNc1nc([C@@H]2CCN(C(=O)COc3cc(C)[nH+]c4ccccc43)C2)nc2c1C[N@@H+](C)CC2 ZINC000257316786 568718690 /nfs/dbraw/zinc/71/86/90/568718690.db2.gz VGZIQQHGBJDOIR-QGZVFWFLSA-N 2 2 446.555 2.758 40 0 IFABLP CC[NH+]1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@@H](NCN[C@H]4N[C@H](C)c4ccccc4)[NH2+]3)cc2)CC1 ZINC000604940866 568754793 /nfs/dbraw/zinc/75/47/93/568754793.db2.gz FZKTWZZPPTUYSG-JNRZVTKQSA-N 2 2 448.659 2.628 40 0 IFABLP C[NH+](C)CCCNc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329057197 568810621 /nfs/dbraw/zinc/81/06/21/568810621.db2.gz VVPYUERGDLAJSZ-QGZVFWFLSA-N 2 2 439.482 2.841 40 0 IFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000020674625 521092272 /nfs/dbraw/zinc/09/22/72/521092272.db2.gz NDCWRDAJXXOZTG-FCHUYYIVSA-N 2 2 434.540 2.519 40 0 IFABLP O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020512672 527138776 /nfs/dbraw/zinc/13/87/76/527138776.db2.gz CXEOPBGOOGVGNI-HJOGWXRNSA-N 2 2 446.595 2.710 40 0 IFABLP O=C(C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000031771988 556526133 /nfs/dbraw/zinc/52/61/33/556526133.db2.gz FUHORYXMCREXLF-DAXSKMNVSA-N 2 2 437.559 2.967 40 0 IFABLP CCCCc1[nH]c(C[N@@H+]2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)c[nH+]1 ZINC000072334514 556907217 /nfs/dbraw/zinc/90/72/17/556907217.db2.gz WRCOREYROZDWNF-NBGIEHNGSA-N 2 2 437.588 2.824 40 0 IFABLP CCCCc1[nH]c(C[N@H+]2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)c[nH+]1 ZINC000072334514 556907218 /nfs/dbraw/zinc/90/72/18/556907218.db2.gz WRCOREYROZDWNF-NBGIEHNGSA-N 2 2 437.588 2.824 40 0 IFABLP CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000096036463 557163332 /nfs/dbraw/zinc/16/33/32/557163332.db2.gz NLNQDLQYLQRAHN-HSZRJFAPSA-N 2 2 425.602 2.875 40 0 IFABLP CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000096036463 557163337 /nfs/dbraw/zinc/16/33/37/557163337.db2.gz NLNQDLQYLQRAHN-HSZRJFAPSA-N 2 2 425.602 2.875 40 0 IFABLP S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1CCC[NH+]1CCOCC1 ZINC000223172618 557441275 /nfs/dbraw/zinc/44/12/75/557441275.db2.gz XKPIDEDKUFHSEO-XZOQPEGZSA-N 2 2 448.596 2.962 40 0 IFABLP Cc1cccc(OC[C@@]2(O)COCC[N@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)C2)c1 ZINC000585274657 568618550 /nfs/dbraw/zinc/61/85/50/568618550.db2.gz LVCSYFRWUFLLSM-VWLOTQADSA-N 2 2 437.540 2.913 40 0 IFABLP Cc1cccc(OC[C@@]2(O)COCC[N@@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)C2)c1 ZINC000585274657 568618553 /nfs/dbraw/zinc/61/85/53/568618553.db2.gz LVCSYFRWUFLLSM-VWLOTQADSA-N 2 2 437.540 2.913 40 0 IFABLP CNc1nc([C@H]2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)nc2c1C[N@H+](C)CC2 ZINC000257276716 568700792 /nfs/dbraw/zinc/70/07/92/568700792.db2.gz NUVZEYNVGWGLBP-KRWDZBQOSA-N 2 2 426.609 2.689 40 0 IFABLP CNc1nc([C@H]2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257276716 568700795 /nfs/dbraw/zinc/70/07/95/568700795.db2.gz NUVZEYNVGWGLBP-KRWDZBQOSA-N 2 2 426.609 2.689 40 0 IFABLP CN(C[C@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000257304253 568713316 /nfs/dbraw/zinc/71/33/16/568713316.db2.gz SKTDKJMKGMSASU-RUZDIDTESA-N 2 2 433.556 2.644 40 0 IFABLP COc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)[C@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000306143116 568773171 /nfs/dbraw/zinc/77/31/71/568773171.db2.gz XTOYAZDHDAFPOQ-FGZHOGPDSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)[C@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000306143116 568773173 /nfs/dbraw/zinc/77/31/73/568773173.db2.gz XTOYAZDHDAFPOQ-FGZHOGPDSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[NH+]2CC[C@@H](NS(C)(=O)=O)[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143116 568773174 /nfs/dbraw/zinc/77/31/74/568773174.db2.gz XTOYAZDHDAFPOQ-FGZHOGPDSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[NH+]2CC[C@@H](NS(C)(=O)=O)[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143116 568773176 /nfs/dbraw/zinc/77/31/76/568773176.db2.gz XTOYAZDHDAFPOQ-FGZHOGPDSA-N 2 2 449.642 2.773 40 0 IFABLP COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cc1OC ZINC000329006804 568809126 /nfs/dbraw/zinc/80/91/26/568809126.db2.gz LFVHXXNNMNEXFD-UHFFFAOYSA-N 2 2 435.528 2.890 40 0 IFABLP CC[NH+]1CCN(Cc2ccc([C@@H]3C[C@H]4[C@H](NCN[C@H]4N[C@@H](C)c4ccccc4)[NH2+]3)cc2)CC1 ZINC000521205759 568918213 /nfs/dbraw/zinc/91/82/13/568918213.db2.gz FZKTWZZPPTUYSG-FPAWMJDPSA-N 2 2 448.659 2.628 40 0 IFABLP CNc1nc(C2CC[NH2+]CC2)nc2c1CC[N@H+](CC(=O)N(C(C)C)C1CCCCC1)C2 ZINC000019710647 569327494 /nfs/dbraw/zinc/32/74/94/569327494.db2.gz QSGSZHMNLKEWSX-UHFFFAOYSA-N 2 2 428.625 2.913 40 0 IFABLP CNc1nc(C2CC[NH2+]CC2)nc2c1CC[N@@H+](CC(=O)N(C(C)C)C1CCCCC1)C2 ZINC000019710647 569327496 /nfs/dbraw/zinc/32/74/96/569327496.db2.gz QSGSZHMNLKEWSX-UHFFFAOYSA-N 2 2 428.625 2.913 40 0 IFABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCN(c2ccccn2)CC1)Nc1ccsc1 ZINC000020503902 291350038 /nfs/dbraw/zinc/35/00/38/291350038.db2.gz GOVXHNZQNSCERO-IRFCIJBXSA-N 2 2 440.617 2.797 40 0 biogenic,in-vitro IFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000020674628 521280448 /nfs/dbraw/zinc/28/04/48/521280448.db2.gz NDCWRDAJXXOZTG-YADHBBJMSA-N 2 2 434.540 2.519 40 0 IFABLP COc1ccc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H]([NH+]3CCC(Cc4ccccc4)CC3)[C@H]2O)cc1 ZINC000020463761 524088398 /nfs/dbraw/zinc/08/83/98/524088398.db2.gz QWUGVXZCICOEDQ-LFEPYJTBSA-N 2 2 438.568 2.593 40 0 biogenic,in-vitro IFABLP COc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(Cn2cc[nH+]c2C)CC1 ZINC000019287833 556728437 /nfs/dbraw/zinc/72/84/37/556728437.db2.gz OCHYEYXODIVSOG-OAQYLSRUSA-N 2 2 426.561 2.608 40 0 IFABLP COc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(Cn2cc[nH+]c2C)CC1 ZINC000019287833 556728441 /nfs/dbraw/zinc/72/84/41/556728441.db2.gz OCHYEYXODIVSOG-OAQYLSRUSA-N 2 2 426.561 2.608 40 0 IFABLP COc1cc(C[N@H+](C)C[C@@H](O)COC2CCCCC2)ccc1OCC[NH+]1CCOCC1 ZINC000585271010 568617518 /nfs/dbraw/zinc/61/75/18/568617518.db2.gz CVODPZJTSPBKKR-OAQYLSRUSA-N 2 2 436.593 2.548 40 0 IFABLP COc1cc(C[N@@H+](C)C[C@@H](O)COC2CCCCC2)ccc1OCC[NH+]1CCOCC1 ZINC000585271010 568617519 /nfs/dbraw/zinc/61/75/19/568617519.db2.gz CVODPZJTSPBKKR-OAQYLSRUSA-N 2 2 436.593 2.548 40 0 IFABLP Cc1cccc(OC[C@]2(O)COCC[N@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)C2)c1 ZINC000585274652 568618418 /nfs/dbraw/zinc/61/84/18/568618418.db2.gz LVCSYFRWUFLLSM-RUZDIDTESA-N 2 2 437.540 2.913 40 0 IFABLP Cc1cccc(OC[C@]2(O)COCC[N@@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)C2)c1 ZINC000585274652 568618419 /nfs/dbraw/zinc/61/84/19/568618419.db2.gz LVCSYFRWUFLLSM-RUZDIDTESA-N 2 2 437.540 2.913 40 0 IFABLP CN(C[C@@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000257304254 568713348 /nfs/dbraw/zinc/71/33/48/568713348.db2.gz SKTDKJMKGMSASU-VWLOTQADSA-N 2 2 433.556 2.644 40 0 IFABLP Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)c(C)c1 ZINC000585274205 557218462 /nfs/dbraw/zinc/21/84/62/557218462.db2.gz UPCYHQTYSSHELV-QHCPKHFHSA-N 2 2 428.573 2.886 40 0 IFABLP Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)c(C)c1 ZINC000585274205 557218463 /nfs/dbraw/zinc/21/84/63/557218463.db2.gz UPCYHQTYSSHELV-QHCPKHFHSA-N 2 2 428.573 2.886 40 0 IFABLP O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000585282107 557221154 /nfs/dbraw/zinc/22/11/54/557221154.db2.gz XSWFFIPUPGJZGR-VWLOTQADSA-N 2 2 426.557 2.804 40 0 IFABLP O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000585282107 557221159 /nfs/dbraw/zinc/22/11/59/557221159.db2.gz XSWFFIPUPGJZGR-VWLOTQADSA-N 2 2 426.557 2.804 40 0 IFABLP S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1CC[NH+]1CCOCC1 ZINC000223130027 557436241 /nfs/dbraw/zinc/43/62/41/557436241.db2.gz CVDWINXPOYYBFC-FCHUYYIVSA-N 2 2 434.569 2.572 40 0 IFABLP CNc1nc([C@@H]2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)nc2c1C[N@H+](C)CC2 ZINC000257276717 568700899 /nfs/dbraw/zinc/70/08/99/568700899.db2.gz NUVZEYNVGWGLBP-QGZVFWFLSA-N 2 2 426.609 2.689 40 0 IFABLP CNc1nc([C@@H]2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257276717 568700901 /nfs/dbraw/zinc/70/09/01/568700901.db2.gz NUVZEYNVGWGLBP-QGZVFWFLSA-N 2 2 426.609 2.689 40 0 IFABLP CC[NH+]1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@H](NCN[C@H]4N[C@H](C)c4ccccc4)[NH2+]3)cc2)CC1 ZINC000604940868 568754766 /nfs/dbraw/zinc/75/47/66/568754766.db2.gz FZKTWZZPPTUYSG-LUNJLAKLSA-N 2 2 448.659 2.628 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@H]1C[N@H+](CC2CC2)C[C@]2(CC[NH+](Cc3ccccc3)C2)O1 ZINC000306141640 568772442 /nfs/dbraw/zinc/77/24/42/568772442.db2.gz WCSXLRUODRQFBH-AOYPEHQESA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@H]1C[N@@H+](CC2CC2)C[C@]2(CC[NH+](Cc3ccccc3)C2)O1 ZINC000306141640 568772443 /nfs/dbraw/zinc/77/24/43/568772443.db2.gz WCSXLRUODRQFBH-AOYPEHQESA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@H]1C[NH+](CC2CC2)C[C@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000306141640 568772444 /nfs/dbraw/zinc/77/24/44/568772444.db2.gz WCSXLRUODRQFBH-AOYPEHQESA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@H]1C[NH+](CC2CC2)C[C@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000306141640 568772445 /nfs/dbraw/zinc/77/24/45/568772445.db2.gz WCSXLRUODRQFBH-AOYPEHQESA-N 2 2 434.584 2.796 40 0 IFABLP CS(=O)(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306143859 568773444 /nfs/dbraw/zinc/77/34/44/568773444.db2.gz YORAQIPWHFLKBE-ZEQRLZLVSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306143859 568773445 /nfs/dbraw/zinc/77/34/45/568773445.db2.gz YORAQIPWHFLKBE-ZEQRLZLVSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@H]1CC[NH+](CCc2ccccc2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306143859 568773446 /nfs/dbraw/zinc/77/34/46/568773446.db2.gz YORAQIPWHFLKBE-ZEQRLZLVSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@H]1CC[NH+](CCc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306143859 568773447 /nfs/dbraw/zinc/77/34/47/568773447.db2.gz YORAQIPWHFLKBE-ZEQRLZLVSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306143856 568773488 /nfs/dbraw/zinc/77/34/88/568773488.db2.gz YORAQIPWHFLKBE-BJKOFHAPSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306143856 568773490 /nfs/dbraw/zinc/77/34/90/568773490.db2.gz YORAQIPWHFLKBE-BJKOFHAPSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@H]1CC[NH+](CCc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306143856 568773491 /nfs/dbraw/zinc/77/34/91/568773491.db2.gz YORAQIPWHFLKBE-BJKOFHAPSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@H]1CC[NH+](CCc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306143856 568773493 /nfs/dbraw/zinc/77/34/93/568773493.db2.gz YORAQIPWHFLKBE-BJKOFHAPSA-N 2 2 427.614 2.745 40 0 IFABLP CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCOCC2)Cc2cn(Cc3[nH+]ccn3C)c3cccc1c23 ZINC000049171774 291341579 /nfs/dbraw/zinc/34/15/79/291341579.db2.gz KWZBNZLKEWWQKK-SFTDATJTSA-N 2 2 435.572 2.883 40 0 biogenic,in-vitro IFABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000012602407 526627108 /nfs/dbraw/zinc/62/71/08/526627108.db2.gz GRFJXQPZIXJXAF-AJSBUHFISA-N 2 2 433.552 2.914 40 0 biogenic,in-vitro IFABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000012602407 526627112 /nfs/dbraw/zinc/62/71/12/526627112.db2.gz GRFJXQPZIXJXAF-AJSBUHFISA-N 2 2 433.552 2.914 40 0 biogenic,in-vitro IFABLP O=C(NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000012602407 526627117 /nfs/dbraw/zinc/62/71/17/526627117.db2.gz GRFJXQPZIXJXAF-AJSBUHFISA-N 2 2 433.552 2.914 40 0 biogenic,in-vitro IFABLP O=C(NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000012602407 526627123 /nfs/dbraw/zinc/62/71/23/526627123.db2.gz GRFJXQPZIXJXAF-AJSBUHFISA-N 2 2 433.552 2.914 40 0 biogenic,in-vitro IFABLP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(I)c1OC ZINC000036612756 556511136 /nfs/dbraw/zinc/51/11/36/556511136.db2.gz KETUMSQGHQZNAL-UHFFFAOYSA-N 2 2 434.318 2.510 40 0 IFABLP COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)cc1C[NH+]1CCCC1 ZINC000072336820 556909415 /nfs/dbraw/zinc/90/94/15/556909415.db2.gz MSTUAUVFUQZEER-UHFFFAOYSA-N 2 2 431.540 2.995 40 0 IFABLP COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)cc1C[NH+]1CCCC1 ZINC000072336820 556909418 /nfs/dbraw/zinc/90/94/18/556909418.db2.gz MSTUAUVFUQZEER-UHFFFAOYSA-N 2 2 431.540 2.995 40 0 IFABLP COc1cc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585273020 557215391 /nfs/dbraw/zinc/21/53/91/557215391.db2.gz OMJANFOCBDBHBW-QFIPXVFZSA-N 3 2 441.563 2.694 40 0 IFABLP COc1cc(C[N@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585273020 557215394 /nfs/dbraw/zinc/21/53/94/557215394.db2.gz OMJANFOCBDBHBW-QFIPXVFZSA-N 3 2 441.563 2.694 40 0 IFABLP Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)c(C)c1 ZINC000585274201 557218378 /nfs/dbraw/zinc/21/83/78/557218378.db2.gz UPCYHQTYSSHELV-HSZRJFAPSA-N 2 2 428.573 2.886 40 0 IFABLP Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)c(C)c1 ZINC000585274201 557218380 /nfs/dbraw/zinc/21/83/80/557218380.db2.gz UPCYHQTYSSHELV-HSZRJFAPSA-N 2 2 428.573 2.886 40 0 IFABLP OC1(COc2ccc(F)cc2)CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000585281589 557220165 /nfs/dbraw/zinc/22/01/65/557220165.db2.gz LYUMSFBEZAAALJ-UHFFFAOYSA-N 2 2 444.547 2.943 40 0 IFABLP C[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3cccc(-n4cc[nH+]c4)n3)cc2)CC1 ZINC000257273266 568699061 /nfs/dbraw/zinc/69/90/61/568699061.db2.gz NFXHGBTZVLFVTI-HSZRJFAPSA-N 3 2 445.571 2.795 40 0 IFABLP C[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3cccc(-n4cc[nH+]c4)n3)cc2)CC1 ZINC000257273266 568699063 /nfs/dbraw/zinc/69/90/63/568699063.db2.gz NFXHGBTZVLFVTI-HSZRJFAPSA-N 3 2 445.571 2.795 40 0 IFABLP COc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000306143117 568773147 /nfs/dbraw/zinc/77/31/47/568773147.db2.gz XTOYAZDHDAFPOQ-VXKWHMMOSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000306143117 568773150 /nfs/dbraw/zinc/77/31/50/568773150.db2.gz XTOYAZDHDAFPOQ-VXKWHMMOSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[NH+]2CC[C@H](NS(C)(=O)=O)[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143117 568773153 /nfs/dbraw/zinc/77/31/53/568773153.db2.gz XTOYAZDHDAFPOQ-VXKWHMMOSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[NH+]2CC[C@H](NS(C)(=O)=O)[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143117 568773156 /nfs/dbraw/zinc/77/31/56/568773156.db2.gz XTOYAZDHDAFPOQ-VXKWHMMOSA-N 2 2 449.642 2.773 40 0 IFABLP C[N@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]CC2CCCCC2)nn1)Cc1ccccc1 ZINC000005412480 291343453 /nfs/dbraw/zinc/34/34/53/291343453.db2.gz UWAQXQZIYYYCDD-CJRSTVEYSA-N 2 2 425.577 2.787 40 0 biogenic,in-vitro IFABLP C[N@@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]CC2CCCCC2)nn1)Cc1ccccc1 ZINC000005412480 291343457 /nfs/dbraw/zinc/34/34/57/291343457.db2.gz UWAQXQZIYYYCDD-CJRSTVEYSA-N 2 2 425.577 2.787 40 0 biogenic,in-vitro IFABLP COC(=O)c1c(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)sc2c1CC[N@H+](C)C2 ZINC000408564333 555917698 /nfs/dbraw/zinc/91/76/98/555917698.db2.gz WIXOKQPMFPBUFP-UHFFFAOYSA-N 2 2 429.542 2.607 40 0 IFABLP COC(=O)c1c(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408564333 555917704 /nfs/dbraw/zinc/91/77/04/555917704.db2.gz WIXOKQPMFPBUFP-UHFFFAOYSA-N 2 2 429.542 2.607 40 0 IFABLP COc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(Cn2cc[nH+]c2C)CC1 ZINC000019287834 556728449 /nfs/dbraw/zinc/72/84/49/556728449.db2.gz OCHYEYXODIVSOG-NRFANRHFSA-N 2 2 426.561 2.608 40 0 IFABLP COc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC(O)(Cn2cc[nH+]c2C)CC1 ZINC000019287834 556728452 /nfs/dbraw/zinc/72/84/52/556728452.db2.gz OCHYEYXODIVSOG-NRFANRHFSA-N 2 2 426.561 2.608 40 0 IFABLP Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCC[N@H+](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000072374866 556949342 /nfs/dbraw/zinc/94/93/42/556949342.db2.gz MXHQKFXWBIJUNG-FQEVSTJZSA-N 2 2 438.576 2.969 40 0 IFABLP Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCC[N@@H+](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000072374866 556949346 /nfs/dbraw/zinc/94/93/46/556949346.db2.gz MXHQKFXWBIJUNG-FQEVSTJZSA-N 2 2 438.576 2.969 40 0 IFABLP COc1ccc([C@H]2C[N@H+](C)[C@@H]3CC[NH+](CC(=O)NCCc4nc5ccccc5[nH]4)C[C@@H]32)cc1 ZINC000585261487 557195152 /nfs/dbraw/zinc/19/51/52/557195152.db2.gz LLXVABFXGUNDEO-PQNGQFLHSA-N 2 2 447.583 2.650 40 0 IFABLP COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CC[NH+](CC(=O)NCCc4nc5ccccc5[nH]4)C[C@@H]32)cc1 ZINC000585261487 557195155 /nfs/dbraw/zinc/19/51/55/557195155.db2.gz LLXVABFXGUNDEO-PQNGQFLHSA-N 2 2 447.583 2.650 40 0 IFABLP COc1ccc([C@H]2C[NH+](C)[C@@H]3CC[N@H+](CC(=O)NCCc4nc5ccccc5[nH]4)C[C@@H]32)cc1 ZINC000585261487 557195158 /nfs/dbraw/zinc/19/51/58/557195158.db2.gz LLXVABFXGUNDEO-PQNGQFLHSA-N 2 2 447.583 2.650 40 0 IFABLP COc1ccc([C@H]2C[NH+](C)[C@@H]3CC[N@@H+](CC(=O)NCCc4nc5ccccc5[nH]4)C[C@@H]32)cc1 ZINC000585261487 557195161 /nfs/dbraw/zinc/19/51/61/557195161.db2.gz LLXVABFXGUNDEO-PQNGQFLHSA-N 2 2 447.583 2.650 40 0 IFABLP CC(C)(C)c1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000015673274 560230546 /nfs/dbraw/zinc/23/05/46/560230546.db2.gz PEWUWHKXXROPBO-OALUTQOASA-N 2 2 425.577 2.874 40 0 biogenic,in-vitro IFABLP OC1(COc2ccccc2F)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000585274557 568618748 /nfs/dbraw/zinc/61/87/48/568618748.db2.gz ZZDPOUSXDDUEIL-UHFFFAOYSA-N 2 2 444.547 2.943 40 0 IFABLP CN(C(=O)COc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257220732 568674667 /nfs/dbraw/zinc/67/46/67/568674667.db2.gz DLXPNYSQJCXEGZ-CQOQZXRMSA-N 2 2 426.561 2.861 40 0 IFABLP CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257227546 568677957 /nfs/dbraw/zinc/67/79/57/568677957.db2.gz FPVAPMHXTJBVPA-KJXAQDMKSA-N 2 2 428.577 2.670 40 0 IFABLP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccnc4OC)CC2)C[N@@H+](C)C3)cc1 ZINC000306140496 568771776 /nfs/dbraw/zinc/77/17/76/568771776.db2.gz UVAWSODVSKZPLQ-UHFFFAOYSA-N 2 2 434.544 2.794 40 0 IFABLP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccnc4OC)CC2)C[N@H+](C)C3)cc1 ZINC000306140496 568771778 /nfs/dbraw/zinc/77/17/78/568771778.db2.gz UVAWSODVSKZPLQ-UHFFFAOYSA-N 2 2 434.544 2.794 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@H]1C[N@H+](CC2CC2)C[C@@]2(CC[NH+](Cc3ccccc3)C2)O1 ZINC000306141642 568772455 /nfs/dbraw/zinc/77/24/55/568772455.db2.gz WCSXLRUODRQFBH-RSXGOPAZSA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@H]1C[N@@H+](CC2CC2)C[C@@]2(CC[NH+](Cc3ccccc3)C2)O1 ZINC000306141642 568772456 /nfs/dbraw/zinc/77/24/56/568772456.db2.gz WCSXLRUODRQFBH-RSXGOPAZSA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@H]1C[NH+](CC2CC2)C[C@@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000306141642 568772457 /nfs/dbraw/zinc/77/24/57/568772457.db2.gz WCSXLRUODRQFBH-RSXGOPAZSA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@H]1C[NH+](CC2CC2)C[C@@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000306141642 568772458 /nfs/dbraw/zinc/77/24/58/568772458.db2.gz WCSXLRUODRQFBH-RSXGOPAZSA-N 2 2 434.584 2.796 40 0 IFABLP C[NH+](C)CCCNc1nc(Nc2ccccc2I)cc(C2CC2)[nH+]1 ZINC000329001473 568808889 /nfs/dbraw/zinc/80/88/89/568808889.db2.gz KESVHVLAPLBGTN-UHFFFAOYSA-N 2 2 437.329 2.910 40 0 IFABLP c1ccc2c(c1)nc1n2[C@H]([C@@H]2CC=CCC2)NC2=[NH+]CN(CCC[NH+]3CCOCC3)CN12 ZINC000226313231 569182954 /nfs/dbraw/zinc/18/29/54/569182954.db2.gz KWRZLJDGRAGQCY-DENIHFKCSA-N 2 2 435.576 2.610 40 0 IFABLP CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC[NH+](C)C)Cc2cn(Cc3[nH+]ccn3C)c3cccc1c23 ZINC000049171760 291341574 /nfs/dbraw/zinc/34/15/74/291341574.db2.gz SMRZFFDLRICOLA-SFTDATJTSA-N 3 2 436.604 2.702 40 0 biogenic,in-vitro IFABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+](C)CCc2ccccn2)cc1 ZINC000008636201 291343477 /nfs/dbraw/zinc/34/34/77/291343477.db2.gz LWHRKRHSHZKQFC-WRALFONMSA-N 2 2 435.616 2.762 40 0 biogenic,in-vitro IFABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+](C)CCc2ccccn2)cc1 ZINC000008636201 291343480 /nfs/dbraw/zinc/34/34/80/291343480.db2.gz LWHRKRHSHZKQFC-WRALFONMSA-N 2 2 435.616 2.762 40 0 biogenic,in-vitro IFABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@H+](C)CCc2ccccn2)cc1 ZINC000008636201 291343483 /nfs/dbraw/zinc/34/34/83/291343483.db2.gz LWHRKRHSHZKQFC-WRALFONMSA-N 2 2 435.616 2.762 40 0 biogenic,in-vitro IFABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@@H+](C)CCc2ccccn2)cc1 ZINC000008636201 291343486 /nfs/dbraw/zinc/34/34/86/291343486.db2.gz LWHRKRHSHZKQFC-WRALFONMSA-N 2 2 435.616 2.762 40 0 biogenic,in-vitro IFABLP CN(Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(N)=O)cc1)C(=O)CCn1cc[nH+]c1-c1ccccc1 ZINC000019699239 556858555 /nfs/dbraw/zinc/85/85/55/556858555.db2.gz GIDRVBWTZXEGOL-PKTZIBPZSA-N 2 2 445.567 2.729 40 0 IFABLP CN(Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(N)=O)cc1)C(=O)CCn1cc[nH+]c1-c1ccccc1 ZINC000019699239 556858561 /nfs/dbraw/zinc/85/85/61/556858561.db2.gz GIDRVBWTZXEGOL-PKTZIBPZSA-N 2 2 445.567 2.729 40 0 IFABLP CCOc1cc(C[N@H+](C)C[C@H](O)COc2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585271784 557216157 /nfs/dbraw/zinc/21/61/57/557216157.db2.gz HMMXVBWRWBKMEE-QFIPXVFZSA-N 2 2 444.572 2.668 40 0 IFABLP CCOc1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585271784 557216159 /nfs/dbraw/zinc/21/61/59/557216159.db2.gz HMMXVBWRWBKMEE-QFIPXVFZSA-N 2 2 444.572 2.668 40 0 IFABLP OC1(COc2ccc(F)cc2)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000585271071 568617549 /nfs/dbraw/zinc/61/75/49/568617549.db2.gz GMIBHPXSSWQILH-UHFFFAOYSA-N 2 2 444.547 2.943 40 0 IFABLP Cc1[nH+]c2cc(NC(=O)CN3CC[C@@]4(CCC[N@@H+]4Cc4ccccc4)[C@@H](O)C3)ccc2n1C ZINC000257211039 568670113 /nfs/dbraw/zinc/67/01/13/568670113.db2.gz BXHLSKTWURPMKA-AHWVRZQESA-N 2 2 447.583 2.922 40 0 IFABLP Cc1[nH+]c2cc(NC(=O)CN3CC[C@@]4(CCC[N@H+]4Cc4ccccc4)[C@@H](O)C3)ccc2n1C ZINC000257211039 568670117 /nfs/dbraw/zinc/67/01/17/568670117.db2.gz BXHLSKTWURPMKA-AHWVRZQESA-N 2 2 447.583 2.922 40 0 IFABLP CC[NH+]1CCN(Cc2ccc([C@@H]3C[C@H]4[C@@H](NCN[C@H]4N[C@H](C)c4ccccc4)[NH2+]3)cc2)CC1 ZINC000521205760 568918265 /nfs/dbraw/zinc/91/82/65/568918265.db2.gz FZKTWZZPPTUYSG-GZCVLSHOSA-N 2 2 448.659 2.628 40 0 IFABLP C[N@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]CCCc2ccccc2)nn1)Cc1ccccc1 ZINC000005412574 291343429 /nfs/dbraw/zinc/34/34/29/291343429.db2.gz VATSYGWVKQSBAF-QEGGNFSNSA-N 2 2 447.583 2.840 40 0 biogenic,in-vitro IFABLP C[N@@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]CCCc2ccccc2)nn1)Cc1ccccc1 ZINC000005412574 291343432 /nfs/dbraw/zinc/34/34/32/291343432.db2.gz VATSYGWVKQSBAF-QEGGNFSNSA-N 2 2 447.583 2.840 40 0 biogenic,in-vitro IFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000020801362 521279584 /nfs/dbraw/zinc/27/95/84/521279584.db2.gz JGQSGLPHHUCJOI-YADHBBJMSA-N 2 2 434.540 2.519 40 0 IFABLP O=C(C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000016941414 556649604 /nfs/dbraw/zinc/64/96/04/556649604.db2.gz FUHORYXMCREXLF-QPJJXVBHSA-N 2 2 437.559 2.967 40 0 IFABLP Cc1nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)CC[NH+]4CCOCC4)CCO3)c2)sc1C ZINC000257214769 568672004 /nfs/dbraw/zinc/67/20/04/568672004.db2.gz CNJKHHPJLZYPBV-HXUWFJFHSA-N 2 2 445.589 2.829 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[N@H+](CC2CC2)C[C@@]2(CC[NH+](Cc3ccccc3)C2)O1 ZINC000306141639 568772470 /nfs/dbraw/zinc/77/24/70/568772470.db2.gz WCSXLRUODRQFBH-AHWVRZQESA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[N@@H+](CC2CC2)C[C@@]2(CC[NH+](Cc3ccccc3)C2)O1 ZINC000306141639 568772473 /nfs/dbraw/zinc/77/24/73/568772473.db2.gz WCSXLRUODRQFBH-AHWVRZQESA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[NH+](CC2CC2)C[C@@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000306141639 568772474 /nfs/dbraw/zinc/77/24/74/568772474.db2.gz WCSXLRUODRQFBH-AHWVRZQESA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[NH+](CC2CC2)C[C@@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000306141639 568772477 /nfs/dbraw/zinc/77/24/77/568772477.db2.gz WCSXLRUODRQFBH-AHWVRZQESA-N 2 2 434.584 2.796 40 0 IFABLP CC[C@@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328955379 568807590 /nfs/dbraw/zinc/80/75/90/568807590.db2.gz ACLDNSGSLZEKJR-OAHLLOKOSA-N 2 2 439.482 2.841 40 0 IFABLP CC[C@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328955371 568807630 /nfs/dbraw/zinc/80/76/30/568807630.db2.gz ACLDNSGSLZEKJR-HNNXBMFYSA-N 2 2 439.482 2.841 40 0 IFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000020801358 521092357 /nfs/dbraw/zinc/09/23/57/521092357.db2.gz JGQSGLPHHUCJOI-FCHUYYIVSA-N 2 2 434.540 2.519 40 0 IFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000020674622 521280327 /nfs/dbraw/zinc/28/03/27/521280327.db2.gz NDCWRDAJXXOZTG-FGZHOGPDSA-N 2 2 434.540 2.519 40 0 IFABLP C[NH+]1CCN(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000044913725 556681412 /nfs/dbraw/zinc/68/14/12/556681412.db2.gz LWPGWERFVINJIV-UHFFFAOYSA-N 2 2 427.420 2.959 40 0 IFABLP CN1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000044913725 556681416 /nfs/dbraw/zinc/68/14/16/556681416.db2.gz LWPGWERFVINJIV-UHFFFAOYSA-N 2 2 427.420 2.959 40 0 IFABLP CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000096036462 557163318 /nfs/dbraw/zinc/16/33/18/557163318.db2.gz NLNQDLQYLQRAHN-QHCPKHFHSA-N 2 2 425.602 2.875 40 0 IFABLP CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000096036462 557163320 /nfs/dbraw/zinc/16/33/20/557163320.db2.gz NLNQDLQYLQRAHN-QHCPKHFHSA-N 2 2 425.602 2.875 40 0 IFABLP C[N@@H+]1CCCN(C(=O)c2cn(-c3[nH+]c(CNc4ccccc4)c4ccccn43)cn2)CC1 ZINC000096267068 557192865 /nfs/dbraw/zinc/19/28/65/557192865.db2.gz JJNKWWLWJVUVMJ-UHFFFAOYSA-N 2 2 429.528 2.910 40 0 IFABLP C[N@H+]1CCCN(C(=O)c2cn(-c3[nH+]c(CNc4ccccc4)c4ccccn43)cn2)CC1 ZINC000096267068 557192869 /nfs/dbraw/zinc/19/28/69/557192869.db2.gz JJNKWWLWJVUVMJ-UHFFFAOYSA-N 2 2 429.528 2.910 40 0 IFABLP CCOc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585271782 557216173 /nfs/dbraw/zinc/21/61/73/557216173.db2.gz HMMXVBWRWBKMEE-JOCHJYFZSA-N 2 2 444.572 2.668 40 0 IFABLP CCOc1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585271782 557216174 /nfs/dbraw/zinc/21/61/74/557216174.db2.gz HMMXVBWRWBKMEE-JOCHJYFZSA-N 2 2 444.572 2.668 40 0 IFABLP CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000015673389 560230649 /nfs/dbraw/zinc/23/06/49/560230649.db2.gz GPUVLEKQIYPLNB-PMACEKPBSA-N 2 2 425.577 2.919 40 0 biogenic,in-vitro IFABLP O[C@@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C1 ZINC000585274665 568618703 /nfs/dbraw/zinc/61/87/03/568618703.db2.gz LWAAJWZGEUWJCB-XMMPIXPASA-N 2 2 441.503 2.744 40 0 IFABLP O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C1 ZINC000585274665 568618706 /nfs/dbraw/zinc/61/87/06/568618706.db2.gz LWAAJWZGEUWJCB-XMMPIXPASA-N 2 2 441.503 2.744 40 0 IFABLP CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257277494 568701086 /nfs/dbraw/zinc/70/10/86/568701086.db2.gz NYEOYJLOKCUKQP-VXKWHMMOSA-N 2 2 428.577 2.624 40 0 IFABLP CS(=O)(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306143857 568773462 /nfs/dbraw/zinc/77/34/62/568773462.db2.gz YORAQIPWHFLKBE-DNQXCXABSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306143857 568773463 /nfs/dbraw/zinc/77/34/63/568773463.db2.gz YORAQIPWHFLKBE-DNQXCXABSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@@H]1CC[NH+](CCc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306143857 568773464 /nfs/dbraw/zinc/77/34/64/568773464.db2.gz YORAQIPWHFLKBE-DNQXCXABSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@@H]1CC[NH+](CCc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306143857 568773466 /nfs/dbraw/zinc/77/34/66/568773466.db2.gz YORAQIPWHFLKBE-DNQXCXABSA-N 2 2 427.614 2.745 40 0 IFABLP C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2C(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)n1 ZINC000019760476 569237732 /nfs/dbraw/zinc/23/77/32/569237732.db2.gz FNROXJLWXLYIPC-HXUWFJFHSA-N 2 2 442.995 2.711 40 0 IFABLP CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503876 291343500 /nfs/dbraw/zinc/34/35/00/291343500.db2.gz RQQRXAPJNLRPKP-BBTUJRGHSA-N 2 2 433.691 2.798 40 0 biogenic,in-vitro IFABLP CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503876 291343503 /nfs/dbraw/zinc/34/35/03/291343503.db2.gz RQQRXAPJNLRPKP-BBTUJRGHSA-N 2 2 433.691 2.798 40 0 biogenic,in-vitro IFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000020801354 521280712 /nfs/dbraw/zinc/28/07/12/521280712.db2.gz JGQSGLPHHUCJOI-FGZHOGPDSA-N 2 2 434.540 2.519 40 0 IFABLP Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@H+](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000072374865 556949411 /nfs/dbraw/zinc/94/94/11/556949411.db2.gz MXHQKFXWBIJUNG-HXUWFJFHSA-N 2 2 438.576 2.969 40 0 IFABLP Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@@H+](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000072374865 556949415 /nfs/dbraw/zinc/94/94/15/556949415.db2.gz MXHQKFXWBIJUNG-HXUWFJFHSA-N 2 2 438.576 2.969 40 0 IFABLP S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1CCC[NH+]1CCOCC1 ZINC000223173049 557441240 /nfs/dbraw/zinc/44/12/40/557441240.db2.gz XKPIDEDKUFHSEO-DHIUTWEWSA-N 2 2 448.596 2.962 40 0 IFABLP C[NH+]1CCC([N@@H+]2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC000015671890 560230344 /nfs/dbraw/zinc/23/03/44/560230344.db2.gz VXAXIGOICLJEGZ-JWQCQUIFSA-N 2 2 437.584 2.915 40 0 biogenic,in-vitro IFABLP C[NH+]1CCC([N@H+]2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC000015671890 560230345 /nfs/dbraw/zinc/23/03/45/560230345.db2.gz VXAXIGOICLJEGZ-JWQCQUIFSA-N 2 2 437.584 2.915 40 0 biogenic,in-vitro IFABLP O=C(C[NH+]1CCCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000585262298 568616311 /nfs/dbraw/zinc/61/63/11/568616311.db2.gz KAKOKVMOYWJVBV-KAHCWPQKSA-N 2 2 449.595 2.596 40 0 IFABLP O=C(C[NH+]1CCCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000585262298 568616315 /nfs/dbraw/zinc/61/63/15/568616315.db2.gz KAKOKVMOYWJVBV-KAHCWPQKSA-N 2 2 449.595 2.596 40 0 IFABLP Cc1[nH+]c2cc(NC(=O)C[N@@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)ccc2n1C ZINC000257324852 568722134 /nfs/dbraw/zinc/72/21/34/568722134.db2.gz WQLVVHHWLDIXKG-NBGIEHNGSA-N 2 2 431.540 2.959 40 0 IFABLP Cc1[nH+]c2cc(NC(=O)C[N@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)ccc2n1C ZINC000257324852 568722138 /nfs/dbraw/zinc/72/21/38/568722138.db2.gz WQLVVHHWLDIXKG-NBGIEHNGSA-N 2 2 431.540 2.959 40 0 IFABLP C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)n1 ZINC000019760473 569237705 /nfs/dbraw/zinc/23/77/05/569237705.db2.gz FNROXJLWXLYIPC-FQEVSTJZSA-N 2 2 442.995 2.711 40 0 IFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000020674631 521092618 /nfs/dbraw/zinc/09/26/18/521092618.db2.gz NDCWRDAJXXOZTG-VXKWHMMOSA-N 2 2 434.540 2.519 40 0 IFABLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)N3CCN(c4cccc[nH+]4)CC3)CC1)O2 ZINC000019218309 556713414 /nfs/dbraw/zinc/71/34/14/556713414.db2.gz YRWFGFBWDHYULG-UHFFFAOYSA-N 2 2 434.540 2.539 40 0 IFABLP C[N@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257299391 556717048 /nfs/dbraw/zinc/71/70/48/556717048.db2.gz RPWVTYKPZYPWQQ-RUZDIDTESA-N 2 2 438.572 2.546 40 0 IFABLP C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257299391 556717051 /nfs/dbraw/zinc/71/70/51/556717051.db2.gz RPWVTYKPZYPWQQ-RUZDIDTESA-N 2 2 438.572 2.546 40 0 IFABLP COc1cc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585273015 557215328 /nfs/dbraw/zinc/21/53/28/557215328.db2.gz OMJANFOCBDBHBW-JOCHJYFZSA-N 3 2 441.563 2.694 40 0 IFABLP COc1cc(C[N@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585273015 557215333 /nfs/dbraw/zinc/21/53/33/557215333.db2.gz OMJANFOCBDBHBW-JOCHJYFZSA-N 3 2 441.563 2.694 40 0 IFABLP COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012602553 565102526 /nfs/dbraw/zinc/10/25/26/565102526.db2.gz LOEPJUWSXNHSMD-KMDXXIMOSA-N 2 2 444.689 2.762 40 0 biogenic,in-vitro IFABLP COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012602553 565102532 /nfs/dbraw/zinc/10/25/32/565102532.db2.gz LOEPJUWSXNHSMD-KMDXXIMOSA-N 2 2 444.689 2.762 40 0 biogenic,in-vitro IFABLP COc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000306143118 568773191 /nfs/dbraw/zinc/77/31/91/568773191.db2.gz XTOYAZDHDAFPOQ-YADHBBJMSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000306143118 568773192 /nfs/dbraw/zinc/77/31/92/568773192.db2.gz XTOYAZDHDAFPOQ-YADHBBJMSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[NH+]2CC[C@@H](NS(C)(=O)=O)[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143118 568773193 /nfs/dbraw/zinc/77/31/93/568773193.db2.gz XTOYAZDHDAFPOQ-YADHBBJMSA-N 2 2 449.642 2.773 40 0 IFABLP COc1ccc(C[NH+]2CC[C@@H](NS(C)(=O)=O)[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143118 568773194 /nfs/dbraw/zinc/77/31/94/568773194.db2.gz XTOYAZDHDAFPOQ-YADHBBJMSA-N 2 2 449.642 2.773 40 0 IFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000020801366 521093350 /nfs/dbraw/zinc/09/33/50/521093350.db2.gz JGQSGLPHHUCJOI-VXKWHMMOSA-N 2 2 434.540 2.519 40 0 IFABLP C[NH+]1CCN(CCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000044913730 556681401 /nfs/dbraw/zinc/68/14/01/556681401.db2.gz ZAXHFPSPGALMPY-UHFFFAOYSA-N 2 2 427.420 2.959 40 0 IFABLP CN1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000044913730 556681404 /nfs/dbraw/zinc/68/14/04/556681404.db2.gz ZAXHFPSPGALMPY-UHFFFAOYSA-N 2 2 427.420 2.959 40 0 IFABLP Cc1cc(OCC(=O)N(C)Cc2nc([C@@H]3CCC[NH2+]C3)cc(N(C)C)n2)c2ccccc2[nH+]1 ZINC000019710003 556871914 /nfs/dbraw/zinc/87/19/14/556871914.db2.gz NYYIFEVIENHRTC-GOSISDBHSA-N 2 2 448.571 2.904 40 0 IFABLP CC1(C)C=C(CC(=O)N2CCO[C@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)CC(C)(C)[NH2+]1 ZINC000072370863 556936906 /nfs/dbraw/zinc/93/69/06/556936906.db2.gz VHRPOCWUKVWWNC-IBGZPJMESA-N 2 2 436.560 2.888 40 0 IFABLP COCCOc1cc(C[N@@H+]2CC[C@](O)(C[NH+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269611 557212387 /nfs/dbraw/zinc/21/23/87/557212387.db2.gz BIUOCRXSBPGZPW-VWLOTQADSA-N 2 2 444.572 2.798 40 0 IFABLP COCCOc1cc(C[N@H+]2CC[C@](O)(C[NH+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269611 557212389 /nfs/dbraw/zinc/21/23/89/557212389.db2.gz BIUOCRXSBPGZPW-VWLOTQADSA-N 2 2 444.572 2.798 40 0 IFABLP COCCOc1cc(C[NH+]2CC[C@](O)(C[N@H+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269611 557212392 /nfs/dbraw/zinc/21/23/92/557212392.db2.gz BIUOCRXSBPGZPW-VWLOTQADSA-N 2 2 444.572 2.798 40 0 IFABLP COCCOc1cc(C[NH+]2CC[C@](O)(C[N@@H+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269611 557212394 /nfs/dbraw/zinc/21/23/94/557212394.db2.gz BIUOCRXSBPGZPW-VWLOTQADSA-N 2 2 444.572 2.798 40 0 IFABLP c1ccc2c(c1)nc1n2[C@@H]([C@H]2CC=CCC2)NC2=[NH+]CN(CCC[NH+]3CCOCC3)CN12 ZINC000059619754 557824247 /nfs/dbraw/zinc/82/42/47/557824247.db2.gz KWRZLJDGRAGQCY-UGKGYDQZSA-N 2 2 435.576 2.610 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[N@H+](CC2CC2)C[C@]2(CC[NH+](Cc3ccccc3)C2)O1 ZINC000306141641 568772506 /nfs/dbraw/zinc/77/25/06/568772506.db2.gz WCSXLRUODRQFBH-AZGAKELHSA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[N@@H+](CC2CC2)C[C@]2(CC[NH+](Cc3ccccc3)C2)O1 ZINC000306141641 568772507 /nfs/dbraw/zinc/77/25/07/568772507.db2.gz WCSXLRUODRQFBH-AZGAKELHSA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[NH+](CC2CC2)C[C@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000306141641 568772510 /nfs/dbraw/zinc/77/25/10/568772510.db2.gz WCSXLRUODRQFBH-AZGAKELHSA-N 2 2 434.584 2.796 40 0 IFABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[NH+](CC2CC2)C[C@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000306141641 568772512 /nfs/dbraw/zinc/77/25/12/568772512.db2.gz WCSXLRUODRQFBH-AZGAKELHSA-N 2 2 434.584 2.796 40 0 IFABLP CS(=O)(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306143858 568773453 /nfs/dbraw/zinc/77/34/53/568773453.db2.gz YORAQIPWHFLKBE-RPWUZVMVSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306143858 568773454 /nfs/dbraw/zinc/77/34/54/568773454.db2.gz YORAQIPWHFLKBE-RPWUZVMVSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@@H]1CC[NH+](CCc2ccccc2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306143858 568773455 /nfs/dbraw/zinc/77/34/55/568773455.db2.gz YORAQIPWHFLKBE-RPWUZVMVSA-N 2 2 427.614 2.745 40 0 IFABLP CS(=O)(=O)N[C@@H]1CC[NH+](CCc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306143858 568773456 /nfs/dbraw/zinc/77/34/56/568773456.db2.gz YORAQIPWHFLKBE-RPWUZVMVSA-N 2 2 427.614 2.745 40 0 IFABLP CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CC[NH+](C)CC2)Cc2cn(Cc3[nH+]ccn3C)c3cccc1c23 ZINC000049171771 291341583 /nfs/dbraw/zinc/34/15/83/291341583.db2.gz VUCXZTUNZSKAPO-VXKWHMMOSA-N 3 2 448.615 2.799 40 0 biogenic,in-vitro IFABLP CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCN(C)CC2)Cc2cn(Cc3[nH+]ccn3C)c3cccc1c23 ZINC000049171771 291341584 /nfs/dbraw/zinc/34/15/84/291341584.db2.gz VUCXZTUNZSKAPO-VXKWHMMOSA-N 2 2 448.615 2.799 40 0 biogenic,in-vitro IFABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)NC5CCCCC5)c43)C2)CC1 ZINC000020503714 523770923 /nfs/dbraw/zinc/77/09/23/523770923.db2.gz FOSKSDXPNGVUIW-ZWKOTPCHSA-N 2 2 427.593 2.816 40 0 biogenic,in-vitro IFABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)NC5CCCCC5)c43)C2)CC1 ZINC000020503714 523770929 /nfs/dbraw/zinc/77/09/29/523770929.db2.gz FOSKSDXPNGVUIW-ZWKOTPCHSA-N 2 2 427.593 2.816 40 0 biogenic,in-vitro IFABLP O=c1c(-c2ccccc2C[NH+]2CCOCC2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000020503644 527448613 /nfs/dbraw/zinc/44/86/13/527448613.db2.gz WBBVXZADUWQBTA-RBBKRZOGSA-N 2 2 449.595 2.946 40 0 biogenic,in-vitro IFABLP O=c1c(-c2ccccc2C[NH+]2CCOCC2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000020503644 527448621 /nfs/dbraw/zinc/44/86/21/527448621.db2.gz WBBVXZADUWQBTA-RBBKRZOGSA-N 2 2 449.595 2.946 40 0 biogenic,in-vitro IFABLP C[N@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257299392 556717100 /nfs/dbraw/zinc/71/71/00/556717100.db2.gz RPWVTYKPZYPWQQ-VWLOTQADSA-N 2 2 438.572 2.546 40 0 IFABLP C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257299392 556717104 /nfs/dbraw/zinc/71/71/04/556717104.db2.gz RPWVTYKPZYPWQQ-VWLOTQADSA-N 2 2 438.572 2.546 40 0 IFABLP COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)cc1C[NH+]1CCCC1 ZINC000019559163 556801107 /nfs/dbraw/zinc/80/11/07/556801107.db2.gz IMZWCHFRIGLMRN-UHFFFAOYSA-N 2 2 431.540 2.995 40 0 IFABLP COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)cc1C[NH+]1CCCC1 ZINC000019559163 556801110 /nfs/dbraw/zinc/80/11/10/556801110.db2.gz IMZWCHFRIGLMRN-UHFFFAOYSA-N 2 2 431.540 2.995 40 0 IFABLP CN(C)c1cc(CN(C)C(=O)C[N@H+](C)Cc2ccc(F)cc2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709848 556871474 /nfs/dbraw/zinc/87/14/74/556871474.db2.gz HBLSRUOAEIELFE-HXUWFJFHSA-N 2 2 428.556 2.587 40 0 IFABLP CN(C)c1cc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709848 556871478 /nfs/dbraw/zinc/87/14/78/556871478.db2.gz HBLSRUOAEIELFE-HXUWFJFHSA-N 2 2 428.556 2.587 40 0 IFABLP Cc1cc(OCC(=O)N(C)Cc2nc([C@H]3CCC[NH2+]C3)cc(N(C)C)n2)c2ccccc2[nH+]1 ZINC000019710004 556871844 /nfs/dbraw/zinc/87/18/44/556871844.db2.gz NYYIFEVIENHRTC-SFHVURJKSA-N 2 2 448.571 2.904 40 0 IFABLP CNc1nc(C2CC[NH2+]CC2)nc2c1CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)C2 ZINC000019710913 556874909 /nfs/dbraw/zinc/87/49/09/556874909.db2.gz JKQUSIWRFWKFDG-UHFFFAOYSA-N 2 2 436.604 2.781 40 0 IFABLP CNc1nc(C2CC[NH2+]CC2)nc2c1CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)C2 ZINC000019710913 556874911 /nfs/dbraw/zinc/87/49/11/556874911.db2.gz JKQUSIWRFWKFDG-UHFFFAOYSA-N 2 2 436.604 2.781 40 0 IFABLP COc1ccc([C@H]2NC3=[NH+]CN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960414 556955194 /nfs/dbraw/zinc/95/51/94/556955194.db2.gz GXMNYTXBWXHDCK-QFIPXVFZSA-N 2 2 449.559 2.548 40 0 IFABLP Cc1cc(NC(=O)c2ccc3nnc([C@H]4C[N@@H+](Cc5ccccn5)CCN4C)n3c2)cc[nH+]1 ZINC000096268025 557193663 /nfs/dbraw/zinc/19/36/63/557193663.db2.gz VZFYGAPLZUXPIV-OAQYLSRUSA-N 2 2 442.527 2.569 40 0 IFABLP Cc1cc(NC(=O)c2ccc3nnc([C@H]4C[N@H+](Cc5ccccn5)CCN4C)n3c2)cc[nH+]1 ZINC000096268025 557193666 /nfs/dbraw/zinc/19/36/66/557193666.db2.gz VZFYGAPLZUXPIV-OAQYLSRUSA-N 2 2 442.527 2.569 40 0 IFABLP S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1CC[NH+]1CCOCC1 ZINC000223130135 557436167 /nfs/dbraw/zinc/43/61/67/557436167.db2.gz CVDWINXPOYYBFC-VXKWHMMOSA-N 2 2 434.569 2.572 40 0 IFABLP COc1cc(C[N@H+](C)C[C@H](O)COC2CCCCC2)ccc1OCC[NH+]1CCOCC1 ZINC000585271009 568617672 /nfs/dbraw/zinc/61/76/72/568617672.db2.gz CVODPZJTSPBKKR-NRFANRHFSA-N 2 2 436.593 2.548 40 0 IFABLP COc1cc(C[N@@H+](C)C[C@H](O)COC2CCCCC2)ccc1OCC[NH+]1CCOCC1 ZINC000585271009 568617676 /nfs/dbraw/zinc/61/76/76/568617676.db2.gz CVODPZJTSPBKKR-NRFANRHFSA-N 2 2 436.593 2.548 40 0 IFABLP CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000585271006 568617687 /nfs/dbraw/zinc/61/76/87/568617687.db2.gz CUBAYHCORYHCBZ-QFIPXVFZSA-N 2 2 444.572 2.668 40 0 IFABLP CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000585271006 568617691 /nfs/dbraw/zinc/61/76/91/568617691.db2.gz CUBAYHCORYHCBZ-QFIPXVFZSA-N 2 2 444.572 2.668 40 0 IFABLP Cc1cc(N2CC[C@@](O)(C[N@H+](C)Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)nc[nH+]1 ZINC000585274656 568618442 /nfs/dbraw/zinc/61/84/42/568618442.db2.gz ZGZSXLMLPYWSJH-RUZDIDTESA-N 3 2 439.604 2.723 40 0 IFABLP Cc1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)nc[nH+]1 ZINC000585274656 568618443 /nfs/dbraw/zinc/61/84/43/568618443.db2.gz ZGZSXLMLPYWSJH-RUZDIDTESA-N 3 2 439.604 2.723 40 0 IFABLP O[C@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C1 ZINC000585274663 568618657 /nfs/dbraw/zinc/61/86/57/568618657.db2.gz LWAAJWZGEUWJCB-DEOSSOPVSA-N 2 2 441.503 2.744 40 0 IFABLP O[C@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C1 ZINC000585274663 568618661 /nfs/dbraw/zinc/61/86/61/568618661.db2.gz LWAAJWZGEUWJCB-DEOSSOPVSA-N 2 2 441.503 2.744 40 0 IFABLP C[NH+](C)CCCNc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329057196 568810445 /nfs/dbraw/zinc/81/04/45/568810445.db2.gz VVPYUERGDLAJSZ-KRWDZBQOSA-N 2 2 439.482 2.841 40 0 IFABLP CC[NH+]1CCN(Cc2ccc([C@@H]3C[C@H]4[C@@H](NCN[C@H]4N[C@@H](C)c4ccccc4)[NH2+]3)cc2)CC1 ZINC000521205761 568918146 /nfs/dbraw/zinc/91/81/46/568918146.db2.gz FZKTWZZPPTUYSG-JHCHRPGFSA-N 2 2 448.659 2.628 40 0 IFABLP CC[NH+]1CCN(Cc2ccc([C@@H]3C[C@H]4[C@H](NCN[C@H]4N[C@H](C)c4ccccc4)[NH2+]3)cc2)CC1 ZINC000521205746 568918238 /nfs/dbraw/zinc/91/82/38/568918238.db2.gz FZKTWZZPPTUYSG-BXFNDPPGSA-N 2 2 448.659 2.628 40 0 IFABLP