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(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCCCC2)on1)NCc1ccc2c(c1)OCO2 ZINC000012482508 291489428 /nfs/dbraw/zinc/48/94/28/291489428.db2.gz FAWZYVMJPPWNPI-PMACEKPBSA-N 1 1 454.571 2.864 40 0 biogenic,in-vitro JFABMO OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC[NH+](Cc2ccccn2)CC1 ZINC000225427226 291490802 /nfs/dbraw/zinc/49/08/02/291490802.db2.gz JVXQYVDBFLYSFB-UHFFFAOYSA-N 1 1 450.612 2.739 40 0 biogenic,in-vitro JFABMO CCCn1c2nnc(SCC(=O)NCC3([NH+]4CCOCC4)CCCCC3)n2c2ccccc2c1=O ZINC000014640410 521641464 /nfs/dbraw/zinc/64/14/64/521641464.db2.gz OVACWLAFFFJEBJ-UHFFFAOYSA-N 1 1 498.653 2.698 40 0 JFABMO Cc1cccc2cc(CN(Cc3cccnc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c12 ZINC000019822684 524974176 /nfs/dbraw/zinc/97/41/76/524974176.db2.gz BGIDEEJSBREHDX-UHFFFAOYSA-N 1 1 465.623 2.831 40 0 JFABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000020079911 555628735 /nfs/dbraw/zinc/62/87/35/555628735.db2.gz CUBFWXVCHJHZTR-XMMPIXPASA-N 1 1 473.581 2.525 40 0 JFABMO CC[NH+]1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000014135608 555703825 /nfs/dbraw/zinc/70/38/25/555703825.db2.gz QCHKXMSHRKEUPL-UHFFFAOYSA-N 1 1 472.449 2.937 40 0 JFABMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246405 555896301 /nfs/dbraw/zinc/89/63/01/555896301.db2.gz HSDHEJMVWGOEKP-GOSISDBHSA-N 1 1 456.395 2.657 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cccc(C)c2C)cc1 ZINC000022829669 555955746 /nfs/dbraw/zinc/95/57/46/555955746.db2.gz XCHVNNSGWJERAS-UHFFFAOYSA-N 1 1 472.655 2.561 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(Cl)cc2C)cc1 ZINC000022933867 555986579 /nfs/dbraw/zinc/98/65/79/555986579.db2.gz MTCDJCDGNOELEB-UHFFFAOYSA-N 1 1 493.073 2.906 40 0 JFABMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016012084 556111054 /nfs/dbraw/zinc/11/10/54/556111054.db2.gz PQBZPXSNEYDBOO-VHBHIYPTSA-N 1 1 474.344 2.603 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064441 556261850 /nfs/dbraw/zinc/26/18/50/556261850.db2.gz AZJHSFUKERYONS-FQEVSTJZSA-N 1 1 496.568 2.745 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064441 556261852 /nfs/dbraw/zinc/26/18/52/556261852.db2.gz AZJHSFUKERYONS-FQEVSTJZSA-N 1 1 496.568 2.745 40 0 JFABMO COc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@@H]4C3)c(=O)[nH]c2cc1OC ZINC000019550921 556353658 /nfs/dbraw/zinc/35/36/58/556353658.db2.gz NUGQPAPOYADQDD-NTKDMRAZSA-N 1 1 493.612 2.906 40 0 JFABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019568185 556354863 /nfs/dbraw/zinc/35/48/63/556354863.db2.gz QQFWYYRMZFLVHZ-HSZRJFAPSA-N 1 1 461.545 2.656 40 0 JFABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000019823244 556393256 /nfs/dbraw/zinc/39/32/56/556393256.db2.gz MUNIPVOKPMOPHL-QFIPXVFZSA-N 1 1 472.655 2.723 40 0 JFABMO CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824427 556395383 /nfs/dbraw/zinc/39/53/83/556395383.db2.gz QQYKHLYLLJSWBE-UHFFFAOYSA-N 1 1 495.649 2.921 40 0 JFABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824572 556395863 /nfs/dbraw/zinc/39/58/63/556395863.db2.gz SRQXZRIZOVSSHW-JOCHJYFZSA-N 1 1 488.654 2.505 40 0 JFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032400193 556435001 /nfs/dbraw/zinc/43/50/01/556435001.db2.gz CTHLHPRGAVZSGE-NRFANRHFSA-N 1 1 459.587 2.791 40 0 JFABMO O=C(Nc1cccs1)N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514288503 560034769 /nfs/dbraw/zinc/03/47/69/560034769.db2.gz GLCJYTQDSRIWRR-JENIJYKNSA-N 1 1 470.517 2.839 40 0 biogenic,in-vitro JFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000035362938 569682506 /nfs/dbraw/zinc/68/25/06/569682506.db2.gz INSOEGISNFOBEP-AYFLJRIOSA-N 1 1 465.893 2.542 40 0 JFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035362938 569682507 /nfs/dbraw/zinc/68/25/07/569682507.db2.gz INSOEGISNFOBEP-AYFLJRIOSA-N 1 1 465.893 2.542 40 0 JFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)C1 ZINC000216187067 569877870 /nfs/dbraw/zinc/87/78/70/569877870.db2.gz JRLXVQLCIHJNMV-KDURUIRLSA-N 1 1 453.624 2.852 40 0 JFABMO CN(C)S(=O)(=O)c1ccc(OCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222758325 569890471 /nfs/dbraw/zinc/89/04/71/569890471.db2.gz GWEIWGOBWULHGK-UHFFFAOYSA-N 1 1 462.959 2.746 40 0 JFABMO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1CCCN1CCOCC1 ZINC000223262845 569905280 /nfs/dbraw/zinc/90/52/80/569905280.db2.gz SLODPFVERBVVNH-ZEQRLZLVSA-N 1 1 470.687 2.756 40 0 JFABMO COc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224560772 569948494 /nfs/dbraw/zinc/94/84/94/569948494.db2.gz IDWKRICXOVVMRV-KRWDZBQOSA-N 1 1 496.029 2.652 40 0 JFABMO Cc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000224560985 569948503 /nfs/dbraw/zinc/94/85/03/569948503.db2.gz SGFLSFNLQMUNSP-UHFFFAOYSA-N 1 1 473.639 2.998 40 0 JFABMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224579483 569949378 /nfs/dbraw/zinc/94/93/78/569949378.db2.gz XCKRGYFAHRDIFY-XMMPIXPASA-N 1 1 473.639 2.997 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1Cl ZINC000224716303 569954581 /nfs/dbraw/zinc/95/45/81/569954581.db2.gz SXSDFJOTRHIJCO-UHFFFAOYSA-N 1 1 486.421 2.908 40 0 JFABMO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224724853 569954814 /nfs/dbraw/zinc/95/48/14/569954814.db2.gz GDQLVPGGFOVZTF-KRWDZBQOSA-N 1 1 466.003 2.643 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000224743546 569955710 /nfs/dbraw/zinc/95/57/10/569955710.db2.gz IWYJATZUPJHOSC-UHFFFAOYSA-N 1 1 471.623 2.765 40 0 JFABMO CCCn1c2ccc(S(=O)(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2sc1=O ZINC000224757070 569956262 /nfs/dbraw/zinc/95/62/62/569956262.db2.gz LQSIPBGFSIGOFT-UHFFFAOYSA-N 1 1 461.609 2.784 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408619935 569977630 /nfs/dbraw/zinc/97/76/30/569977630.db2.gz OTVNRVIVUUNGHG-UHFFFAOYSA-N 1 1 489.682 2.759 40 0 JFABMO CCOC(=O)N1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)CC1 ZINC000408825838 570052411 /nfs/dbraw/zinc/05/24/11/570052411.db2.gz ATZJMVQIBQXVRS-UHFFFAOYSA-N 1 1 466.582 2.932 40 0 JFABMO COc1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1OC ZINC000408970128 570088616 /nfs/dbraw/zinc/08/86/16/570088616.db2.gz BFTRFQFJCYITJT-UHFFFAOYSA-N 1 1 451.567 2.900 40 0 JFABMO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H]13)O2 ZINC000253400317 570096531 /nfs/dbraw/zinc/09/65/31/570096531.db2.gz LDJXZTCPCKGPFM-FIXSFTCYSA-N 1 1 461.562 2.626 40 0 JFABMO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H]13)O2 ZINC000253400317 570096532 /nfs/dbraw/zinc/09/65/32/570096532.db2.gz LDJXZTCPCKGPFM-FIXSFTCYSA-N 1 1 461.562 2.626 40 0 JFABMO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](C4CCCCC4)C[C@@H]13)O2 ZINC000253403234 570096909 /nfs/dbraw/zinc/09/69/09/570096909.db2.gz PPPJVVILBAKABU-FUDKSRODSA-N 1 1 455.599 2.982 40 0 JFABMO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1NCc1cccnc1 ZINC000257203958 570109024 /nfs/dbraw/zinc/10/90/24/570109024.db2.gz ASJDLZHQWXUCJR-DQEYMECFSA-N 1 1 458.562 2.946 40 0 JFABMO COc1cccc(N2CCC(O)(C[N@H+]3CC[C@@H]4[C@@H](c5ccccc5)N(C)C[C@]4(NC(C)=O)C3)CC2)c1 ZINC000257209659 570110968 /nfs/dbraw/zinc/11/09/68/570110968.db2.gz BRIWGSKUJRONCV-QQJNOOCOSA-N 1 1 492.664 2.910 40 0 JFABMO COc1cccc(N2CCC(O)(CN3CC[C@@H]4[C@@H](c5ccccc5)[N@H+](C)C[C@]4(NC(C)=O)C3)CC2)c1 ZINC000257209659 570110973 /nfs/dbraw/zinc/11/09/73/570110973.db2.gz BRIWGSKUJRONCV-QQJNOOCOSA-N 1 1 492.664 2.910 40 0 JFABMO COc1cccc(N2CCC(O)(CN3CC[C@@H]4[C@@H](c5ccccc5)[N@@H+](C)C[C@]4(NC(C)=O)C3)CC2)c1 ZINC000257209659 570110974 /nfs/dbraw/zinc/11/09/74/570110974.db2.gz BRIWGSKUJRONCV-QQJNOOCOSA-N 1 1 492.664 2.910 40 0 JFABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1cccc(OC)c1 ZINC000257226373 570116021 /nfs/dbraw/zinc/11/60/21/570116021.db2.gz FKJRGWQMFRWBDO-QHCPKHFHSA-N 1 1 459.550 2.906 40 0 JFABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1cccc(OC)c1 ZINC000257226373 570116022 /nfs/dbraw/zinc/11/60/22/570116022.db2.gz FKJRGWQMFRWBDO-QHCPKHFHSA-N 1 1 459.550 2.906 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCn3ccnc3)C2)CC1 ZINC000257228089 570116437 /nfs/dbraw/zinc/11/64/37/570116437.db2.gz FSGGMVLKZAIAEK-RUZDIDTESA-N 1 1 488.032 2.779 40 0 JFABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1ccc(OC)cc1 ZINC000257235775 570118866 /nfs/dbraw/zinc/11/88/66/570118866.db2.gz GZJSVKBKXOQGGC-QHCPKHFHSA-N 1 1 459.550 2.906 40 0 JFABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1ccc(OC)cc1 ZINC000257235775 570118867 /nfs/dbraw/zinc/11/88/67/570118867.db2.gz GZJSVKBKXOQGGC-QHCPKHFHSA-N 1 1 459.550 2.906 40 0 JFABMO CCOCC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257237250 570119384 /nfs/dbraw/zinc/11/93/84/570119384.db2.gz HFTJUFCHUNSOPU-HSZRJFAPSA-N 1 1 451.995 2.528 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000257253085 570124249 /nfs/dbraw/zinc/12/42/49/570124249.db2.gz JXMZWOFTBCAMRV-RUZDIDTESA-N 1 1 489.613 2.840 40 0 JFABMO CCC(CC)C(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257261654 570126838 /nfs/dbraw/zinc/12/68/38/570126838.db2.gz LIHLKFAEROCNCP-DEOSSOPVSA-N 1 1 466.022 2.917 40 0 JFABMO CCC(CC)C(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257261655 570126855 /nfs/dbraw/zinc/12/68/55/570126855.db2.gz LIHLKFAEROCNCP-XMMPIXPASA-N 1 1 466.022 2.917 40 0 JFABMO COc1cccc(C(=O)N2CC[C@@H](Cc3nc(Nc4cc(C)[nH]n4)cc(N4CC[NH+](C)CC4)n3)C2)c1 ZINC000257264947 570127921 /nfs/dbraw/zinc/12/79/21/570127921.db2.gz LWQFZEQJPQBMDI-IBGZPJMESA-N 1 1 490.612 2.717 40 0 JFABMO COc1ccc(C)cc1NC(=O)CN1C[C@]2(NC(C)=O)C[N@@H+](C)CC[C@@H]2[C@H]1c1ccccc1 ZINC000257280723 570132818 /nfs/dbraw/zinc/13/28/18/570132818.db2.gz OMCBUAMVPRYVHZ-LPPUWEFUSA-N 1 1 450.583 2.826 40 0 JFABMO COc1ccc(C2(C(=O)N3CC[C@](O)(C[N@@H+](C)Cc4ccc(F)cc4)C3)CCOCC2)cc1 ZINC000257281387 570133088 /nfs/dbraw/zinc/13/30/88/570133088.db2.gz OOYJQVRFHHAMQM-VWLOTQADSA-N 1 1 456.558 2.978 40 0 JFABMO Cc1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@@H+]2CCc3ccccc3C2)on1 ZINC000257284467 570133925 /nfs/dbraw/zinc/13/39/25/570133925.db2.gz PCURLFXPFGYIMK-HTDNTCHWSA-N 1 1 451.498 2.860 40 0 JFABMO Cc1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@H+]2CCc3ccccc3C2)on1 ZINC000257284467 570133926 /nfs/dbraw/zinc/13/39/26/570133926.db2.gz PCURLFXPFGYIMK-HTDNTCHWSA-N 1 1 451.498 2.860 40 0 JFABMO COc1cc(C[N@@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)ccc1OCCn1ccnc1 ZINC000257285057 570134176 /nfs/dbraw/zinc/13/41/76/570134176.db2.gz PFLCKGSHOXNDEF-SANMLTNESA-N 1 1 467.566 2.921 40 0 JFABMO COc1cc(C[N@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)ccc1OCCn1ccnc1 ZINC000257285057 570134177 /nfs/dbraw/zinc/13/41/77/570134177.db2.gz PFLCKGSHOXNDEF-SANMLTNESA-N 1 1 467.566 2.921 40 0 JFABMO CN(C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H](O)[C@H]1[N@H+](C)Cc1ccccc1 ZINC000257286201 570134479 /nfs/dbraw/zinc/13/44/79/570134479.db2.gz PKSGTTMRVIZSDC-SCPDWHHUSA-N 1 1 465.516 2.764 40 0 JFABMO CN(C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H](O)[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000257286201 570134482 /nfs/dbraw/zinc/13/44/82/570134482.db2.gz PKSGTTMRVIZSDC-SCPDWHHUSA-N 1 1 465.516 2.764 40 0 JFABMO CN(C(=O)CCCn1c2ccccc2nc1C(F)(F)F)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257289453 570135453 /nfs/dbraw/zinc/13/54/53/570135453.db2.gz PYRXVKVOEFUIPO-SFHLNBCPSA-N 1 1 468.520 2.908 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257290693 570135659 /nfs/dbraw/zinc/13/56/59/570135659.db2.gz QDYVOSVJQZLADU-UGKGYDQZSA-N 1 1 467.614 2.781 40 0 JFABMO COc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257309223 570141214 /nfs/dbraw/zinc/14/12/14/570141214.db2.gz UAAIBQFJOOVVMP-RDPSFJRHSA-N 1 1 469.557 2.908 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(CC3CCC(NC(=O)C4CC4)CC3)n2)n[nH]1 ZINC000257313446 570142578 /nfs/dbraw/zinc/14/25/78/570142578.db2.gz USMFJYZYPLTXMK-UHFFFAOYSA-N 1 1 452.607 2.631 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3cccnc3)CCO2)CC1 ZINC000257315555 570143164 /nfs/dbraw/zinc/14/31/64/570143164.db2.gz VBXLEWQBJNRRTG-DEOSSOPVSA-N 1 1 458.990 2.549 40 0 JFABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](CC(=O)Nc1ccc3[nH]c(C)nc3c1)CC2 ZINC000257338321 570149972 /nfs/dbraw/zinc/14/99/72/570149972.db2.gz YWXBFAUZMUHSFX-GDKKVTFASA-N 1 1 488.592 2.610 40 0 JFABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@@H+](CC(=O)Nc1ccc3[nH]c(C)nc3c1)CC2 ZINC000257338321 570149974 /nfs/dbraw/zinc/14/99/74/570149974.db2.gz YWXBFAUZMUHSFX-GDKKVTFASA-N 1 1 488.592 2.610 40 0 JFABMO Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000260888107 570161722 /nfs/dbraw/zinc/16/17/22/570161722.db2.gz HKQUTUBNDHTWNG-HXUWFJFHSA-N 1 1 459.612 2.607 40 0 JFABMO Cc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000260888516 570161753 /nfs/dbraw/zinc/16/17/53/570161753.db2.gz PLBPJPRCXAJGRD-HXUWFJFHSA-N 1 1 459.612 2.607 40 0 JFABMO COc1cc(NC(=O)N2CCN(C)CC2)ccc1-c1ccc(NC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000004791924 522686146 /nfs/dbraw/zinc/68/61/46/522686146.db2.gz GXWLZMHIFUUPDV-UHFFFAOYSA-N 1 1 496.612 2.929 40 0 JFABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3CN3CCOCC3)c4=O)C2)CC1 ZINC000020503645 523771528 /nfs/dbraw/zinc/77/15/28/523771528.db2.gz NGRPFRZVQBQNGD-JTHBVZDNSA-N 1 1 462.638 2.861 40 0 biogenic,in-vitro JFABMO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)cc1Cl ZINC000044885064 524360481 /nfs/dbraw/zinc/36/04/81/524360481.db2.gz NYLSQNZWRUJLQP-UHFFFAOYSA-N 1 1 462.959 2.925 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020453641 525023890 /nfs/dbraw/zinc/02/38/90/525023890.db2.gz QYOIMXPARVFEDB-UHFFFAOYSA-N 1 1 454.552 2.904 40 0 JFABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C(=O)N1CCCC1 ZINC000020493328 525065750 /nfs/dbraw/zinc/06/57/50/525065750.db2.gz ZPOXRVOALUDVFN-UHFFFAOYSA-N 1 1 454.552 2.904 40 0 JFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000020460577 527386703 /nfs/dbraw/zinc/38/67/03/527386703.db2.gz BDYSNUSEDYEYTL-UHFFFAOYSA-N 1 1 474.970 2.785 40 0 JFABMO O=C(Cn1nnc(-c2ccc(C[NH+]3CCOCC3)cc2)n1)Nc1ccc(Br)cc1 ZINC000000907955 553840330 /nfs/dbraw/zinc/84/03/30/553840330.db2.gz PDRAFYWKPJMTJL-UHFFFAOYSA-N 1 1 457.332 2.574 40 0 JFABMO COc1ccccc1C(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@H](C2)C[N@H+](C2CCN(C(C)=O)CC2)C1 ZINC000008300417 554565941 /nfs/dbraw/zinc/56/59/41/554565941.db2.gz MKTJWIDONUHJMO-RBUKOAKNSA-N 1 1 464.566 2.539 40 0 biogenic,in-vitro JFABMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000009058611 554877390 /nfs/dbraw/zinc/87/73/90/554877390.db2.gz FCCFRZPQNNQUST-AIBQHXCESA-N 1 1 453.926 2.594 40 0 JFABMO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940608 555559089 /nfs/dbraw/zinc/55/90/89/555559089.db2.gz YXEVKCONWVZBMD-ZEQKJWHPSA-N 1 1 499.619 2.909 40 0 JFABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019941440 555560618 /nfs/dbraw/zinc/56/06/18/555560618.db2.gz XWOJXLXZACEDAD-QHCPKHFHSA-N 1 1 461.545 2.601 40 0 JFABMO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022246261 555896129 /nfs/dbraw/zinc/89/61/29/555896129.db2.gz CIWSLLBPEMXLBN-RUZDIDTESA-N 1 1 463.603 2.921 40 0 JFABMO CC(C)c1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000022829422 555955438 /nfs/dbraw/zinc/95/54/38/555955438.db2.gz ZQKIPIVSJNXDDC-UHFFFAOYSA-N 1 1 472.655 2.759 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cc(C)cc(C)c2)cc1 ZINC000022829507 555955871 /nfs/dbraw/zinc/95/58/71/555955871.db2.gz LIRLZZCIPUOUQT-UHFFFAOYSA-N 1 1 472.655 2.561 40 0 JFABMO CC[NH+]1CCN([C@@H](c2nnnn2CCc2ccc(OC)c(OC)c2)c2cc(OC)ccc2OC)CC1 ZINC000022930014 555983095 /nfs/dbraw/zinc/98/30/95/555983095.db2.gz AAOQJOQUJARRCS-RUZDIDTESA-N 1 1 496.612 2.677 40 0 JFABMO CN1CC[NH+](CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000022934594 555986963 /nfs/dbraw/zinc/98/69/63/555986963.db2.gz ZIEVYMRATMNKDX-UHFFFAOYSA-N 1 1 499.464 2.942 40 0 JFABMO CCc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000025767221 556233268 /nfs/dbraw/zinc/23/32/68/556233268.db2.gz ZNMQYXSNIXGJSU-UHFFFAOYSA-N 1 1 459.612 2.925 40 0 JFABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019568188 556354868 /nfs/dbraw/zinc/35/48/68/556354868.db2.gz QQFWYYRMZFLVHZ-QHCPKHFHSA-N 1 1 461.545 2.656 40 0 JFABMO COc1ccc2cc(CN(Cc3cccnc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019824591 556395735 /nfs/dbraw/zinc/39/57/35/556395735.db2.gz MHRZWJZWRULEDJ-UHFFFAOYSA-N 1 1 481.622 2.531 40 0 JFABMO Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019826431 556397103 /nfs/dbraw/zinc/39/71/03/556397103.db2.gz OZUPEJOCVUQPRO-JYFHCDHNSA-N 1 1 499.619 2.909 40 0 JFABMO COc1cccc(NC(=O)N[C@H]2CO[C@@H](C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H]2O)c1 ZINC000514289637 560032220 /nfs/dbraw/zinc/03/22/20/560032220.db2.gz XQWJFRCFSYCMMJ-FDFHNCONSA-N 1 1 494.514 2.786 40 0 biogenic,in-vitro JFABMO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1C[C@H]1CCCO1)C1CCCCC1)OCO3 ZINC000008582652 562939849 /nfs/dbraw/zinc/93/98/49/562939849.db2.gz NSGSQTZXSSENSC-LJQANCHMSA-N 1 1 466.542 2.757 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1C[C@H]1CCCO1)C1CCCCC1)OCO3 ZINC000008582652 562939851 /nfs/dbraw/zinc/93/98/51/562939851.db2.gz NSGSQTZXSSENSC-LJQANCHMSA-N 1 1 466.542 2.757 40 0 JFABMO CN1CCN(c2ccc3c(c2)onc3-c2ncc(C(=O)N3CCC([NH+](C)C)CC3)s2)CC1 ZINC000096154592 569736656 /nfs/dbraw/zinc/73/66/56/569736656.db2.gz FTJAJPLZXKEGKN-UHFFFAOYSA-N 1 1 454.600 2.869 40 0 JFABMO COC1=CC2=C(NC3CC[NH+](Cc4ccccc4)CC3)NC(N3CCCN(C)CC3)=[NH+][C@H]2C=C1OC ZINC000101793447 569805168 /nfs/dbraw/zinc/80/51/68/569805168.db2.gz ZIFDJNNXBBNSTD-RPWUZVMVSA-N 1 1 492.668 2.705 40 0 in-vitro JFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000038752447 569806400 /nfs/dbraw/zinc/80/64/00/569806400.db2.gz LOSGVRSBWKOYHQ-UHFFFAOYSA-N 1 1 470.551 2.772 40 0 JFABMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000103517053 569835562 /nfs/dbraw/zinc/83/55/62/569835562.db2.gz BFNZVVRVIRCIOX-YYVLHXKZSA-N 1 1 453.926 2.593 40 0 JFABMO COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000107613432 569856771 /nfs/dbraw/zinc/85/67/71/569856771.db2.gz CHTZVFOUHILZIO-UHFFFAOYSA-N 1 1 451.567 2.900 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000224340128 569941162 /nfs/dbraw/zinc/94/11/62/569941162.db2.gz SVKXGLUBVFYJIM-UHFFFAOYSA-N 1 1 471.623 2.757 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224562655 569948573 /nfs/dbraw/zinc/94/85/73/569948573.db2.gz GDSXRJJKGDDTIT-UHFFFAOYSA-N 1 1 487.622 2.632 40 0 JFABMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224567912 569948808 /nfs/dbraw/zinc/94/88/08/569948808.db2.gz OTJSNDRTNXJVIO-HSZRJFAPSA-N 1 1 459.612 2.688 40 0 JFABMO CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224578163 569949264 /nfs/dbraw/zinc/94/92/64/569949264.db2.gz CPCUNZLMHJLHQT-IBGZPJMESA-N 1 1 459.612 2.552 40 0 JFABMO Cc1cccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1C ZINC000224581962 569949493 /nfs/dbraw/zinc/94/94/93/569949493.db2.gz OJEOMZYVSMFYBQ-UHFFFAOYSA-N 1 1 473.639 2.998 40 0 JFABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224734424 569955374 /nfs/dbraw/zinc/95/53/74/569955374.db2.gz LXPTVYLADWWJGG-QHCPKHFHSA-N 1 1 459.612 2.688 40 0 JFABMO CSc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000408616296 569975403 /nfs/dbraw/zinc/97/54/03/569975403.db2.gz FXXRKFRVHGWLLL-UHFFFAOYSA-N 1 1 477.652 2.751 40 0 JFABMO O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408617510 569976278 /nfs/dbraw/zinc/97/62/78/569976278.db2.gz DAWNDAXUOPYWEJ-UHFFFAOYSA-N 1 1 471.623 2.975 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2cccc(Cl)c2)cc1 ZINC000408620779 569977955 /nfs/dbraw/zinc/97/79/55/569977955.db2.gz LZUGMWXEUBTIAB-UHFFFAOYSA-N 1 1 480.030 2.678 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2c(F)cccc2Cl)cc1 ZINC000408624952 569979973 /nfs/dbraw/zinc/97/99/73/569979973.db2.gz UUYJFLMOIYUCRI-UHFFFAOYSA-N 1 1 498.020 2.817 40 0 JFABMO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](CC)CC3)c(C)c2)cc1 ZINC000408674837 570009599 /nfs/dbraw/zinc/00/95/99/570009599.db2.gz JMJHVJCKYQLCNA-UHFFFAOYSA-N 1 1 461.584 2.737 40 0 JFABMO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)C1 ZINC000225851180 570024765 /nfs/dbraw/zinc/02/47/65/570024765.db2.gz SNFFFTKVWKZXNY-ZDUSSCGKSA-N 1 1 458.009 2.844 40 0 JFABMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)C1 ZINC000225851180 570024766 /nfs/dbraw/zinc/02/47/66/570024766.db2.gz SNFFFTKVWKZXNY-ZDUSSCGKSA-N 1 1 458.009 2.844 40 0 JFABMO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1OC ZINC000252550869 570083331 /nfs/dbraw/zinc/08/33/31/570083331.db2.gz SZJRKITVRBMKNW-QHAWAJNXSA-N 1 1 486.613 2.532 40 0 JFABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](CC(=O)Nc4ccc(NC(C)=O)cc4)C[C@@H]32)cc1 ZINC000257208889 570110707 /nfs/dbraw/zinc/11/07/07/570110707.db2.gz BNYGXOIOSNVJBL-UBFVSLLYSA-N 1 1 464.566 2.929 40 0 JFABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](CC(=O)Nc4ccc(NC(C)=O)cc4)C[C@@H]32)cc1 ZINC000257208889 570110708 /nfs/dbraw/zinc/11/07/08/570110708.db2.gz BNYGXOIOSNVJBL-UBFVSLLYSA-N 1 1 464.566 2.929 40 0 JFABMO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@@]3(O)CCCN(c4ncccn4)C3)cc2)n1 ZINC000257234927 570118577 /nfs/dbraw/zinc/11/85/77/570118577.db2.gz GVQJJVFNGMMIPM-VWLOTQADSA-N 1 1 450.587 2.832 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000257244923 570121422 /nfs/dbraw/zinc/12/14/22/570121422.db2.gz INIZUOSKYLANMF-RUZDIDTESA-N 1 1 489.613 2.840 40 0 JFABMO C[C@]1(C2CC[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC2)CN(Cc2ccccc2)C(=O)CO1 ZINC000257247102 570122150 /nfs/dbraw/zinc/12/21/50/570122150.db2.gz IXMGTWQKLDTOOC-HHHXNRCGSA-N 1 1 476.577 2.501 40 0 JFABMO O=C1CCCN1CCCOc1ccc(C[N@@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257247418 570122286 /nfs/dbraw/zinc/12/22/86/570122286.db2.gz IYYPJGHEKBSAER-LJAQVGFWSA-N 1 1 492.664 2.837 40 0 JFABMO O=C1CCCN1CCCOc1ccc(CN2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257247418 570122288 /nfs/dbraw/zinc/12/22/88/570122288.db2.gz IYYPJGHEKBSAER-LJAQVGFWSA-N 1 1 492.664 2.837 40 0 JFABMO O=C1CCCN1CCCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257247417 570122344 /nfs/dbraw/zinc/12/23/44/570122344.db2.gz IYYPJGHEKBSAER-GDLZYMKVSA-N 1 1 492.664 2.837 40 0 JFABMO O=C1CCCN1CCCOc1ccc(CN2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257247417 570122346 /nfs/dbraw/zinc/12/23/46/570122346.db2.gz IYYPJGHEKBSAER-GDLZYMKVSA-N 1 1 492.664 2.837 40 0 JFABMO O=C(C[N@H+]1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21)NCCc1nc2ccccc2[nH]1 ZINC000257247884 570122631 /nfs/dbraw/zinc/12/26/31/570122631.db2.gz JAZSMCFWVJXJFU-HUVFLSCGSA-N 1 1 459.594 2.966 40 0 JFABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000257253500 570124270 /nfs/dbraw/zinc/12/42/70/570124270.db2.gz JZEFJCGGCZNIKO-MCEYFSPLSA-N 1 1 462.550 2.855 40 0 JFABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000257253500 570124271 /nfs/dbraw/zinc/12/42/71/570124271.db2.gz JZEFJCGGCZNIKO-MCEYFSPLSA-N 1 1 462.550 2.855 40 0 JFABMO COc1ccccc1C(=O)N1CC[C@H](Cc2nc(Nc3cc(C)[nH]n3)cc(N3CC[NH+](C)CC3)n2)C1 ZINC000257265806 570128279 /nfs/dbraw/zinc/12/82/79/570128279.db2.gz MAKCDYNLWKWDIX-LJQANCHMSA-N 1 1 490.612 2.717 40 0 JFABMO Cc1cnc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@H](Cc3cc(N(C)C)ncn3)C2)s1 ZINC000257278847 570132327 /nfs/dbraw/zinc/13/23/27/570132327.db2.gz ODWQHFRLOCMXJV-NRFANRHFSA-N 1 1 479.654 2.923 40 0 JFABMO CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)C1(c2cc(C)cc(C)c2)CCOCC1 ZINC000257300881 570138793 /nfs/dbraw/zinc/13/87/93/570138793.db2.gz RWAVRGFHLOLJOH-VWLOTQADSA-N 1 1 463.622 2.853 40 0 JFABMO CNC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)C1(c2cc(C)cc(C)c2)CCOCC1 ZINC000257300881 570138794 /nfs/dbraw/zinc/13/87/94/570138794.db2.gz RWAVRGFHLOLJOH-VWLOTQADSA-N 1 1 463.622 2.853 40 0 JFABMO CC(C)CN1C(=O)CO[C@H]2CC[N@H+](Cc3cc(OCc4ccccc4)ccc3OCC(N)=O)CC[C@@H]21 ZINC000257315208 570143073 /nfs/dbraw/zinc/14/30/73/570143073.db2.gz VAJQSPYLKGSYBN-AHWVRZQESA-N 1 1 495.620 2.978 40 0 JFABMO CCn1cc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257332007 570148098 /nfs/dbraw/zinc/14/80/98/570148098.db2.gz XVIUTFXYGRMAQK-RUZDIDTESA-N 1 1 490.048 2.679 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccc(CNCc3cnc(OC)nc3)cc2)cc1 ZINC000257334821 570148994 /nfs/dbraw/zinc/14/89/94/570148994.db2.gz YHMMQKCORVFRPC-UIOOFZCWSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccc(CNCc3cnc(OC)nc3)cc2)cc1 ZINC000257334821 570148995 /nfs/dbraw/zinc/14/89/95/570148995.db2.gz YHMMQKCORVFRPC-UIOOFZCWSA-N 1 1 489.620 2.788 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000260885944 570161562 /nfs/dbraw/zinc/16/15/62/570161562.db2.gz BDZVLUJOUSRWPU-QHCPKHFHSA-N 1 1 471.623 2.544 40 0 JFABMO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000260888324 570161669 /nfs/dbraw/zinc/16/16/69/570161669.db2.gz LOPNRSPLHWCDNP-GOSISDBHSA-N 1 1 480.030 2.952 40 0 JFABMO COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000260888403 570161707 /nfs/dbraw/zinc/16/17/07/570161707.db2.gz NCPBKPUCSMAHGR-QGZVFWFLSA-N 1 1 496.029 2.652 40 0 JFABMO COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000260894952 570162313 /nfs/dbraw/zinc/16/23/13/570162313.db2.gz GTUNXQAHILUXQS-QGZVFWFLSA-N 1 1 496.029 2.652 40 0 JFABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000408576320 570205919 /nfs/dbraw/zinc/20/59/19/570205919.db2.gz GLFWWWMVBQFDPG-GOSISDBHSA-N 1 1 484.984 2.784 40 0 JFABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408579127 570206455 /nfs/dbraw/zinc/20/64/55/570206455.db2.gz MWTHZXJIEJPNEA-SFHVURJKSA-N 1 1 484.984 2.784 40 0 JFABMO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000408591728 570209324 /nfs/dbraw/zinc/20/93/24/570209324.db2.gz KAKMBCNWKJVJPG-SFHVURJKSA-N 1 1 496.029 2.597 40 0 JFABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000408635375 195484478 /nfs/dbraw/zinc/48/44/78/195484478.db2.gz AGGIKZYJDZEZMK-UHFFFAOYSA-N 1 1 466.003 2.704 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000044839318 525023239 /nfs/dbraw/zinc/02/32/39/525023239.db2.gz LTROURABFBLHQZ-UHFFFAOYSA-N 1 1 454.552 2.904 40 0 JFABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c12 ZINC000008772694 554672574 /nfs/dbraw/zinc/67/25/74/554672574.db2.gz VMMKRTVHDQWXBI-UHFFFAOYSA-N 1 1 453.591 2.715 40 0 JFABMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cccc2C ZINC000009011834 554864540 /nfs/dbraw/zinc/86/45/40/554864540.db2.gz ORYPYSWFPIWMNC-FWKGOSRRSA-N 1 1 479.558 2.891 40 0 JFABMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cccc2C ZINC000009011834 554864541 /nfs/dbraw/zinc/86/45/41/554864541.db2.gz ORYPYSWFPIWMNC-FWKGOSRRSA-N 1 1 479.558 2.891 40 0 JFABMO COc1ccc(C(=O)N(CCC[NH+]2CCOCC2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1OC ZINC000019941076 555559743 /nfs/dbraw/zinc/55/97/43/555559743.db2.gz FCQWSLHBROSHGI-XMMPIXPASA-N 1 1 498.624 2.919 40 0 JFABMO COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022230053 555888927 /nfs/dbraw/zinc/88/89/27/555888927.db2.gz WLJKMZYTPZHXQD-JOCHJYFZSA-N 1 1 457.596 2.501 40 0 JFABMO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022246264 555896135 /nfs/dbraw/zinc/89/61/35/555896135.db2.gz CIWSLLBPEMXLBN-VWLOTQADSA-N 1 1 463.603 2.921 40 0 JFABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)C[N@@H+]21)NCc1cccs1 ZINC000015708005 555953326 /nfs/dbraw/zinc/95/33/26/555953326.db2.gz QGFKJGDVSLJZGB-SCTDSRPQSA-N 1 1 476.002 2.561 40 0 biogenic,in-vitro JFABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)C[N@H+]21)NCc1cccs1 ZINC000015708005 555953328 /nfs/dbraw/zinc/95/33/28/555953328.db2.gz QGFKJGDVSLJZGB-SCTDSRPQSA-N 1 1 476.002 2.561 40 0 biogenic,in-vitro JFABMO Cc1cc(Cl)ccc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000022829469 555955395 /nfs/dbraw/zinc/95/53/95/555955395.db2.gz AHVSDBMBUKEKGJ-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 ZINC000022829719 555955797 /nfs/dbraw/zinc/95/57/97/555955797.db2.gz DKRYSNUHKWAKLE-SANMLTNESA-N 1 1 466.651 2.871 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(C)c(C)c2)cc1 ZINC000022934674 555986908 /nfs/dbraw/zinc/98/69/08/555986908.db2.gz XOFQFCJYIOHAQR-UHFFFAOYSA-N 1 1 472.655 2.561 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cc(C)ccc2C)cc1 ZINC000022934862 555987444 /nfs/dbraw/zinc/98/74/44/555987444.db2.gz DFDXUBATGCILDN-UHFFFAOYSA-N 1 1 472.655 2.561 40 0 JFABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCN(C)CC3)ccc2C)c(C)c1 ZINC000022934778 555987468 /nfs/dbraw/zinc/98/74/68/555987468.db2.gz UEALDPKPBHFTCO-UHFFFAOYSA-N 1 1 458.628 2.780 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000018217247 556311969 /nfs/dbraw/zinc/31/19/69/556311969.db2.gz RGLQQEGJYMBUID-UHFFFAOYSA-N 1 1 492.041 2.889 40 0 JFABMO COc1ccc(CCn2nnnc2[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000019589861 556355721 /nfs/dbraw/zinc/35/57/21/556355721.db2.gz SXARXBQACQASGW-QFIPXVFZSA-N 1 1 456.978 2.923 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1C ZINC000019727698 556362590 /nfs/dbraw/zinc/36/25/90/556362590.db2.gz HBAOWBYENOKIRZ-JOCHJYFZSA-N 1 1 471.623 2.749 40 0 JFABMO CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019823028 556392693 /nfs/dbraw/zinc/39/26/93/556392693.db2.gz FDDCRFSJQHFTMG-QFIPXVFZSA-N 1 1 472.655 2.668 40 0 JFABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000019823009 556392837 /nfs/dbraw/zinc/39/28/37/556392837.db2.gz GNPXSNPTZPBESD-JOCHJYFZSA-N 1 1 472.655 2.668 40 0 JFABMO COCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019823510 556393820 /nfs/dbraw/zinc/39/38/20/556393820.db2.gz ZOKRXJWXLQOUOD-UHFFFAOYSA-N 1 1 460.644 2.580 40 0 JFABMO Cc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000019824346 556395387 /nfs/dbraw/zinc/39/53/87/556395387.db2.gz GBORAYLNSOIESN-QFIPXVFZSA-N 1 1 472.655 2.723 40 0 JFABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019826230 556397111 /nfs/dbraw/zinc/39/71/11/556397111.db2.gz BFZUGBLLPBMQDX-BVAGGSTKSA-N 1 1 499.619 2.909 40 0 JFABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289843 560031742 /nfs/dbraw/zinc/03/17/42/560031742.db2.gz PEXKOLFEKXGUJE-FCHUYYIVSA-N 1 1 459.512 2.780 40 0 biogenic,in-vitro JFABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289843 560031743 /nfs/dbraw/zinc/03/17/43/560031743.db2.gz PEXKOLFEKXGUJE-FCHUYYIVSA-N 1 1 459.512 2.780 40 0 biogenic,in-vitro JFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2Cl)CC1 ZINC000033516344 569627131 /nfs/dbraw/zinc/62/71/31/569627131.db2.gz PLLTXLHRIFAAOO-KRWDZBQOSA-N 1 1 466.003 2.922 40 0 JFABMO Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035087613 569674610 /nfs/dbraw/zinc/67/46/10/569674610.db2.gz AOIVCRYYBAHZQY-UHFFFAOYSA-N 1 1 457.596 2.503 40 0 JFABMO Nc1[nH]c(Br)c([C@@H]2CCNC(=O)c3[nH]c(Br)c(Br)c32)[nH+]1 ZINC000039166403 569809242 /nfs/dbraw/zinc/80/92/42/569809242.db2.gz NEISLVFGGLIVRA-GSVOUGTGSA-N 1 1 467.947 2.873 40 0 in-vitro JFABMO Nc1[nH]c([C@@H]2CCNC(=O)c3[nH]c(Br)c(Br)c32)c(Br)[nH+]1 ZINC000039166403 569809244 /nfs/dbraw/zinc/80/92/44/569809244.db2.gz NEISLVFGGLIVRA-GSVOUGTGSA-N 1 1 467.947 2.873 40 0 in-vitro JFABMO CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@@H]2[C@H](O)c2ccc(Cl)cc2)C(=O)Nc2ccccc21 ZINC000103088003 569832814 /nfs/dbraw/zinc/83/28/14/569832814.db2.gz FCCFRZPQNNQUST-PYJXJXBRSA-N 1 1 453.926 2.594 40 0 JFABMO CC1CC[NH+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)CC1 ZINC000223161314 569901603 /nfs/dbraw/zinc/90/16/03/569901603.db2.gz PPVHMLZIAKAKTP-UHFFFAOYSA-N 1 1 458.009 2.844 40 0 JFABMO Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000223225756 569904059 /nfs/dbraw/zinc/90/40/59/569904059.db2.gz MECRIGJPYGFZTJ-UHFFFAOYSA-N 1 1 459.612 2.722 40 0 JFABMO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1CCCN1CCOCC1 ZINC000223262688 569905298 /nfs/dbraw/zinc/90/52/98/569905298.db2.gz SLODPFVERBVVNH-DNQXCXABSA-N 1 1 470.687 2.756 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000223364907 569908908 /nfs/dbraw/zinc/90/89/08/569908908.db2.gz UUSKWHGUOCDWKJ-LJQANCHMSA-N 1 1 451.633 2.651 40 0 JFABMO CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000224261183 569938470 /nfs/dbraw/zinc/93/84/70/569938470.db2.gz NPCLTFVSUOUOFY-IBGZPJMESA-N 1 1 480.030 2.998 40 0 JFABMO Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224549503 569948080 /nfs/dbraw/zinc/94/80/80/569948080.db2.gz VWTLNDCHZORSNW-UHFFFAOYSA-N 1 1 466.003 2.563 40 0 JFABMO CSc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C(=O)N1CCCC1 ZINC000224569402 569948938 /nfs/dbraw/zinc/94/89/38/569948938.db2.gz JITJADKNAQKFHH-UHFFFAOYSA-N 1 1 489.663 2.955 40 0 JFABMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224579232 569949355 /nfs/dbraw/zinc/94/93/55/569949355.db2.gz OVIRRWFDCGURDU-HSZRJFAPSA-N 1 1 459.612 2.688 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000224716377 569954627 /nfs/dbraw/zinc/95/46/27/569954627.db2.gz GJXFTOHZCLKWSV-UHFFFAOYSA-N 1 1 486.421 2.908 40 0 JFABMO Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1C ZINC000224721669 569954706 /nfs/dbraw/zinc/95/47/06/569954706.db2.gz BFKLPZMSHOYCSJ-FQEVSTJZSA-N 1 1 459.612 2.607 40 0 JFABMO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224721804 569954729 /nfs/dbraw/zinc/95/47/29/569954729.db2.gz JXIPAFZPKQBTSN-KRWDZBQOSA-N 1 1 466.003 2.643 40 0 JFABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224746424 569955780 /nfs/dbraw/zinc/95/57/80/569955780.db2.gz YVRQINTXHNVZRJ-HSZRJFAPSA-N 1 1 473.639 2.997 40 0 JFABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224746379 569955832 /nfs/dbraw/zinc/95/58/32/569955832.db2.gz YVRQINTXHNVZRJ-QHCPKHFHSA-N 1 1 473.639 2.997 40 0 JFABMO Cc1cc(C)cc(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224748281 569955894 /nfs/dbraw/zinc/95/58/94/569955894.db2.gz WBWIEEZLOFJMPO-UHFFFAOYSA-N 1 1 473.639 2.998 40 0 JFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)CC1 ZINC000408594408 569965534 /nfs/dbraw/zinc/96/55/34/569965534.db2.gz RLXOIYWQXXFBMY-UHFFFAOYSA-N 1 1 455.939 2.823 40 0 JFABMO Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1C ZINC000408614510 569974026 /nfs/dbraw/zinc/97/40/26/569974026.db2.gz DBWZLUKKXBQBBJ-NRFANRHFSA-N 1 1 478.593 2.747 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2cccc(Cl)c2)cc1 ZINC000408616392 569975500 /nfs/dbraw/zinc/97/55/00/569975500.db2.gz YNNOBZPNPPXSGN-UHFFFAOYSA-N 1 1 466.003 2.682 40 0 JFABMO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000225231441 569984405 /nfs/dbraw/zinc/98/44/05/569984405.db2.gz IKRHLRBBQPNWNA-UHFFFAOYSA-N 1 1 456.568 2.689 40 0 JFABMO C[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225818167 570023314 /nfs/dbraw/zinc/02/33/14/570023314.db2.gz BNRYRIVNVSLRSN-INIZCTEOSA-N 1 1 451.539 2.684 40 0 JFABMO 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Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@H]3CCN(C(=O)Cc4ccccc4)C3)n2)n[nH]1 ZINC000257239263 570120132 /nfs/dbraw/zinc/12/01/32/570120132.db2.gz HOPPCJUCGXYSLI-OAQYLSRUSA-N 1 1 474.613 2.637 40 0 JFABMO CC(C)Oc1ccc([C@H]2CN(C(=O)c3ccnc(N4CCN(C)CC4)c3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257240405 570120367 /nfs/dbraw/zinc/12/03/67/570120367.db2.gz HTHMTHKBKLTYSN-UBFVSLLYSA-N 1 1 463.626 2.838 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@H]3CCCN(C(=O)C4CC4)CC3)n2)n[nH]1 ZINC000257246245 570121984 /nfs/dbraw/zinc/12/19/84/570121984.db2.gz ITGVFPPICMOXLX-SFHVURJKSA-N 1 1 452.607 2.585 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CN(C(=O)C(C)(C)C)CCO2)CC1 ZINC000257246500 570121998 /nfs/dbraw/zinc/12/19/98/570121998.db2.gz IUJANVABSBHHPD-HSZRJFAPSA-N 1 1 451.995 2.527 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@@H]3CCCN(C(=O)C4CC4)CC3)n2)n[nH]1 ZINC000257246244 570122045 /nfs/dbraw/zinc/12/20/45/570122045.db2.gz ITGVFPPICMOXLX-GOSISDBHSA-N 1 1 452.607 2.585 40 0 JFABMO CC(=O)N[C@]12C[N@H+](CC(=O)NCc3ccccc3Cl)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257248209 570122635 /nfs/dbraw/zinc/12/26/35/570122635.db2.gz JCQCCEJFQBIDEV-DNRSQYFGSA-N 1 1 483.012 2.756 40 0 JFABMO CC(=O)N[C@]12C[N@@H+](CC(=O)NCc3ccccc3Cl)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257248209 570122636 /nfs/dbraw/zinc/12/26/36/570122636.db2.gz JCQCCEJFQBIDEV-DNRSQYFGSA-N 1 1 483.012 2.756 40 0 JFABMO CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)[N@H+](CC2(O)CCN(c3ccccc3F)CC2)[C@H]1c1ccccc1 ZINC000257258448 570125702 /nfs/dbraw/zinc/12/57/02/570125702.db2.gz KTXBHQIKKRNQNN-HVCNVCAESA-N 1 1 482.600 2.566 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)Cc3ccc(F)cc3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257264340 570127727 /nfs/dbraw/zinc/12/77/27/570127727.db2.gz LTYURSDNPFEONE-RDPSFJRHSA-N 1 1 471.548 2.968 40 0 JFABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCn3cccn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000257270632 570129705 /nfs/dbraw/zinc/12/97/05/570129705.db2.gz MVAFIXJAUROBKT-HHHXNRCGSA-N 1 1 478.593 2.745 40 0 JFABMO 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CC[NH+]1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000113937549 569862455 /nfs/dbraw/zinc/86/24/55/569862455.db2.gz HEWILSBSWRCWIW-UHFFFAOYSA-N 1 1 451.976 2.708 40 0 JFABMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224559192 569948406 /nfs/dbraw/zinc/94/84/06/569948406.db2.gz WOGMPLSISMCVHC-KRWDZBQOSA-N 1 1 466.003 2.643 40 0 JFABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C(=O)N1CCCCC1 ZINC000224560420 569948473 /nfs/dbraw/zinc/94/84/73/569948473.db2.gz UHAVPIHFSORCER-UHFFFAOYSA-N 1 1 487.622 2.632 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000224570081 569949007 /nfs/dbraw/zinc/94/90/07/569949007.db2.gz NEGXBJFZIGFMMZ-UHFFFAOYSA-N 1 1 489.613 2.516 40 0 JFABMO Cc1cccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224575517 569949149 /nfs/dbraw/zinc/94/91/49/569949149.db2.gz SXUKPJDLBSUSCR-UHFFFAOYSA-N 1 1 459.612 2.690 40 0 JFABMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224579432 569949329 /nfs/dbraw/zinc/94/93/29/569949329.db2.gz XCKRGYFAHRDIFY-DEOSSOPVSA-N 1 1 473.639 2.997 40 0 JFABMO CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224579921 569949347 /nfs/dbraw/zinc/94/93/47/569949347.db2.gz UPBGBTRPSQCRQP-DEOSSOPVSA-N 1 1 489.638 2.779 40 0 JFABMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224579309 569949357 /nfs/dbraw/zinc/94/93/57/569949357.db2.gz YBEMZMUVNPZGGR-QHCPKHFHSA-N 1 1 473.639 2.997 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000224589394 569949774 /nfs/dbraw/zinc/94/97/74/569949774.db2.gz BDZVLUJOUSRWPU-HSZRJFAPSA-N 1 1 471.623 2.544 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc2ccccc21 ZINC000224715904 569954555 /nfs/dbraw/zinc/95/45/55/569954555.db2.gz VZMVCQFTJLHXSJ-UHFFFAOYSA-N 1 1 467.591 2.754 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000224736838 569955506 /nfs/dbraw/zinc/95/55/06/569955506.db2.gz RPRQVWFQCPWIQX-UHFFFAOYSA-N 1 1 489.613 2.516 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000224743005 569955630 /nfs/dbraw/zinc/95/56/30/569955630.db2.gz DQDJFPIVPYQYIL-QFIPXVFZSA-N 1 1 478.014 2.642 40 0 JFABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000224746597 569955791 /nfs/dbraw/zinc/95/57/91/569955791.db2.gz ABGRBXKTMVFAJT-NRFANRHFSA-N 1 1 463.575 2.519 40 0 JFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)CC1 ZINC000408601356 569969026 /nfs/dbraw/zinc/96/90/26/569969026.db2.gz FWDUOOLMSCBINT-UHFFFAOYSA-N 1 1 451.976 2.992 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2cc(C)ccc2C)cc1 ZINC000408605574 569970844 /nfs/dbraw/zinc/97/08/44/569970844.db2.gz JNFQOJZBBCUTOT-UHFFFAOYSA-N 1 1 459.612 2.646 40 0 JFABMO Cc1ccc(N(Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1C 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/nfs/dbraw/zinc/98/69/11/569986911.db2.gz UTNCCORJHRQWRG-UHFFFAOYSA-N 1 1 467.975 2.692 40 0 JFABMO Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000225384718 569994287 /nfs/dbraw/zinc/99/42/87/569994287.db2.gz PCWDUYQLWUNNMS-UHFFFAOYSA-N 1 1 459.612 2.722 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3-n3cc[nH+]c3C)CC2)cc1 ZINC000225496921 569999881 /nfs/dbraw/zinc/99/98/81/569999881.db2.gz XGUHRGIYCPWVHO-UHFFFAOYSA-N 1 1 468.579 2.906 40 0 JFABMO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904015 570026763 /nfs/dbraw/zinc/02/67/63/570026763.db2.gz CXHRLIBJAYRSPC-IBGZPJMESA-N 1 1 450.004 2.955 40 0 JFABMO CCOC(=O)N1CCN(C(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000408828115 570052502 /nfs/dbraw/zinc/05/25/02/570052502.db2.gz LCVYOMJEELJEJU-UHFFFAOYSA-N 1 1 450.583 2.919 40 0 JFABMO C=C1[NH+]=C(SCC(=O)OCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408991900 570094214 /nfs/dbraw/zinc/09/42/14/570094214.db2.gz RKXKOCRIXOIVHI-SFHVURJKSA-N 1 1 452.529 2.846 40 0 JFABMO C=C1[NH+]=C(SCC(=O)OCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408991896 570094226 /nfs/dbraw/zinc/09/42/26/570094226.db2.gz RKXKOCRIXOIVHI-GOSISDBHSA-N 1 1 452.529 2.846 40 0 JFABMO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C1CCC1)CC2=O ZINC000253398820 570096192 /nfs/dbraw/zinc/09/61/92/570096192.db2.gz HOYJSEUHMQUBBE-HJIDZEHQSA-N 1 1 455.599 2.607 40 0 JFABMO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCC1)CC2=O ZINC000253398820 570096194 /nfs/dbraw/zinc/09/61/94/570096194.db2.gz HOYJSEUHMQUBBE-HJIDZEHQSA-N 1 1 455.599 2.607 40 0 JFABMO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](C4Cc5ccccc5C4)C[C@@H]13)O2 ZINC000253408014 570097433 /nfs/dbraw/zinc/09/74/33/570097433.db2.gz XANLBCGDISSHOP-GNKBHMEESA-N 1 1 489.616 2.817 40 0 JFABMO Cc1nccn1C[C@]1(O)CN(C(=O)c2cccc(OCc3cccc(F)c3)c2)CC[N@H+](C)C1 ZINC000257203404 570109039 /nfs/dbraw/zinc/10/90/39/570109039.db2.gz APVWHGWOBZQWPK-VWLOTQADSA-N 1 1 452.530 2.729 40 0 JFABMO Cc1[nH+]ccn1CC(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 ZINC000257207325 570110118 /nfs/dbraw/zinc/11/01/18/570110118.db2.gz BHFVGBINZPCONF-UHFFFAOYSA-N 1 1 474.989 2.782 40 0 JFABMO O=C(CN1CC[C@@]2(CCC[N@H+]2CCc2ccccc2)[C@@H](O)C1)Nc1ccc2c(c1)OCCCO2 ZINC000257211840 570111562 /nfs/dbraw/zinc/11/15/62/570111562.db2.gz CAROQUINXHNKDK-BDYUSTAISA-N 1 1 465.594 2.930 40 0 JFABMO COc1ccc(C(=O)N2CC[C@H](Cc3nc(Nc4cc(C)[nH]n4)cc(N4CC[NH+](C)CC4)n3)C2)cc1 ZINC000257214467 570112532 /nfs/dbraw/zinc/11/25/32/570112532.db2.gz CMCPIUIBLQQUIL-LJQANCHMSA-N 1 1 490.612 2.717 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CCN3CCc4ccccc43)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257216438 570113087 /nfs/dbraw/zinc/11/30/87/570113087.db2.gz CUNLGAYAMNITGV-IGKIAQTJSA-N 1 1 490.648 2.899 40 0 JFABMO Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257220055 570114142 /nfs/dbraw/zinc/11/41/42/570114142.db2.gz DJHYSVJTYZBQDZ-URXFXBBRSA-N 1 1 468.598 2.684 40 0 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2.860 40 0 JFABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 ZINC000257320646 570144689 /nfs/dbraw/zinc/14/46/89/570144689.db2.gz VXSIJADQJADVJQ-LJQANCHMSA-N 1 1 450.543 2.836 40 0 JFABMO CC(=O)N1CC[N@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257323021 570145341 /nfs/dbraw/zinc/14/53/41/570145341.db2.gz WILPCDZNYUQHLH-NRFANRHFSA-N 1 1 484.604 2.793 40 0 JFABMO CC(=O)N1CC[N@@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257323021 570145343 /nfs/dbraw/zinc/14/53/43/570145343.db2.gz WILPCDZNYUQHLH-NRFANRHFSA-N 1 1 484.604 2.793 40 0 JFABMO CCn1c(=O)oc2cc(NC(=O)CN3CC[C@@]4(CCC[N@H+]4CCc4ccccc4)[C@@H](O)C3)ccc21 ZINC000257325491 570146048 /nfs/dbraw/zinc/14/60/48/570146048.db2.gz WTDACCSORQJQHG-IGKIAQTJSA-N 1 1 478.593 2.697 40 0 JFABMO Cn1ccc(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000257328682 570147052 /nfs/dbraw/zinc/14/70/52/570147052.db2.gz XGRSTGVRLGYTFZ-XMMPIXPASA-N 1 1 474.005 2.539 40 0 JFABMO 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O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408582310 570206963 /nfs/dbraw/zinc/20/69/63/570206963.db2.gz WJTBIHFCZIQTAN-SFHVURJKSA-N 1 1 484.984 2.784 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1C[C@@H]1CCCO1)C1CCCCC1)OCCO3 ZINC000001373831 194107849 /nfs/dbraw/zinc/10/78/49/194107849.db2.gz ARQOKKPBGCYNQJ-FQEVSTJZSA-N 1 1 480.569 2.800 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1C[C@@H]1CCCO1)C1CCCCC1)OCCO3 ZINC000001373831 194107851 /nfs/dbraw/zinc/10/78/51/194107851.db2.gz ARQOKKPBGCYNQJ-FQEVSTJZSA-N 1 1 480.569 2.800 40 0 JFABMO O=c1c(NS(=O)(=O)c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000003841438 194363534 /nfs/dbraw/zinc/36/35/34/194363534.db2.gz NIKIBKPETRKEEB-JKSUJKDBSA-N 1 1 463.987 2.901 40 0 biogenic,in-vitro JFABMO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@H]4C3)c(=O)[nH]c2cc1OC ZINC000001222824 553934859 /nfs/dbraw/zinc/93/48/59/553934859.db2.gz NUGQPAPOYADQDD-CYFREDJKSA-N 1 1 493.612 2.906 40 0 JFABMO COC(=O)C1C(C[N@H+](C)CCc2ccc(OC)c(OC)c2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000013565852 555502871 /nfs/dbraw/zinc/50/28/71/555502871.db2.gz BVUZFQKHDXZHMI-QHCPKHFHSA-N 1 1 469.538 2.668 40 0 JFABMO COC(=O)C1C(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000013565852 555502873 /nfs/dbraw/zinc/50/28/73/555502873.db2.gz BVUZFQKHDXZHMI-QHCPKHFHSA-N 1 1 469.538 2.668 40 0 JFABMO COC(=O)C1=C(C[N@H+](C)CCc2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000013565852 555502875 /nfs/dbraw/zinc/50/28/75/555502875.db2.gz BVUZFQKHDXZHMI-QHCPKHFHSA-N 1 1 469.538 2.668 40 0 JFABMO COC(=O)C1=C(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000013565852 555502876 /nfs/dbraw/zinc/50/28/76/555502876.db2.gz BVUZFQKHDXZHMI-QHCPKHFHSA-N 1 1 469.538 2.668 40 0 JFABMO CC[NH+]1CCN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000019856653 555516970 /nfs/dbraw/zinc/51/69/70/555516970.db2.gz DROLDFHDFWEIMR-UHFFFAOYSA-N 1 1 451.976 2.708 40 0 JFABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019940356 555558436 /nfs/dbraw/zinc/55/84/36/555558436.db2.gz RMVAFOBUZYIDQF-JOCHJYFZSA-N 1 1 451.575 2.755 40 0 JFABMO CC[NH+]1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014135519 555703368 /nfs/dbraw/zinc/70/33/68/555703368.db2.gz CSZPQHFJHGYYKL-UHFFFAOYSA-N 1 1 450.004 2.738 40 0 JFABMO C[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000015225325 555886624 /nfs/dbraw/zinc/88/66/24/555886624.db2.gz CZQAPLRMQBJQHP-UHFFFAOYSA-N 1 1 456.395 2.958 40 0 JFABMO CC[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000022254655 555903213 /nfs/dbraw/zinc/90/32/13/555903213.db2.gz YSNWNQWIXIWRFF-UHFFFAOYSA-N 1 1 479.574 2.587 40 0 JFABMO COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022928994 555980813 /nfs/dbraw/zinc/98/08/13/555980813.db2.gz XUWLABZHTDDFAM-RDGATRHJSA-N 1 1 478.597 2.777 40 0 JFABMO COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022929016 555980868 /nfs/dbraw/zinc/98/08/68/555980868.db2.gz UPWVBJVIWAGEMO-RCZVLFRGSA-N 1 1 478.597 2.777 40 0 JFABMO Cc1ccccc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022934830 555987471 /nfs/dbraw/zinc/98/74/71/555987471.db2.gz HFFIRDYDJDZUDC-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022934821 555987480 /nfs/dbraw/zinc/98/74/80/555987480.db2.gz QOYOEZVQAJZHQN-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO Cc1ccc(N(Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C ZINC000022935004 555987887 /nfs/dbraw/zinc/98/78/87/555987887.db2.gz PPWKMJYKBRFGDM-UHFFFAOYSA-N 1 1 472.655 2.637 40 0 JFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000015996247 556102844 /nfs/dbraw/zinc/10/28/44/556102844.db2.gz INSOEGISNFOBEP-UBPTVHNVSA-N 1 1 465.893 2.542 40 0 JFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000015996247 556102849 /nfs/dbraw/zinc/10/28/49/556102849.db2.gz INSOEGISNFOBEP-UBPTVHNVSA-N 1 1 465.893 2.542 40 0 JFABMO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064482 556261855 /nfs/dbraw/zinc/26/18/55/556261855.db2.gz DODMSWRXUIVMGT-HXUWFJFHSA-N 1 1 468.558 2.828 40 0 JFABMO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064482 556261857 /nfs/dbraw/zinc/26/18/57/556261857.db2.gz DODMSWRXUIVMGT-HXUWFJFHSA-N 1 1 468.558 2.828 40 0 JFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000029837975 556358756 /nfs/dbraw/zinc/35/87/56/556358756.db2.gz MJYYPMCQFSNLOK-UHFFFAOYSA-N 1 1 459.587 2.791 40 0 JFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032400191 556435021 /nfs/dbraw/zinc/43/50/21/556435021.db2.gz CTHLHPRGAVZSGE-OAQYLSRUSA-N 1 1 459.587 2.791 40 0 JFABMO CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2cccc(OC(F)(F)F)c2)[N@H+]1C ZINC000035442521 560079855 /nfs/dbraw/zinc/07/98/55/560079855.db2.gz JWKRHJJVRHWSNZ-DSKINZAPSA-N 1 1 470.536 2.607 40 0 biogenic,in-vitro JFABMO Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)[N@H+]3C)cc1 ZINC000035442410 560080008 /nfs/dbraw/zinc/08/00/08/560080008.db2.gz UPDIQJDTZDXHOA-ARNLJNQMSA-N 1 1 452.574 2.604 40 0 biogenic,in-vitro JFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)N3C)cc1 ZINC000035442410 560080009 /nfs/dbraw/zinc/08/00/09/560080009.db2.gz UPDIQJDTZDXHOA-ARNLJNQMSA-N 1 1 452.574 2.604 40 0 biogenic,in-vitro JFABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)N3C)cc1 ZINC000035442410 560080010 /nfs/dbraw/zinc/08/00/10/560080010.db2.gz UPDIQJDTZDXHOA-ARNLJNQMSA-N 1 1 452.574 2.604 40 0 biogenic,in-vitro JFABMO CC(C)(C)N1C(=O)[C@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000035808803 569712238 /nfs/dbraw/zinc/71/22/38/569712238.db2.gz OHOFGOANDVJBSY-BERAWNTRSA-N 1 1 471.916 2.732 40 0 JFABMO CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn21 ZINC000096156635 569736871 /nfs/dbraw/zinc/73/68/71/569736871.db2.gz AYZDTKRIECVLEU-HSZRJFAPSA-N 1 1 455.566 2.586 40 0 JFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222957884 569895474 /nfs/dbraw/zinc/89/54/74/569895474.db2.gz SREIMHVEOPZOJV-UHFFFAOYSA-N 1 1 484.578 2.815 40 0 JFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000224143293 569934398 /nfs/dbraw/zinc/93/43/98/569934398.db2.gz WFINJVLPNSZHGE-UHFFFAOYSA-N 1 1 484.578 2.815 40 0 JFABMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224559700 569948463 /nfs/dbraw/zinc/94/84/63/569948463.db2.gz WOGMPLSISMCVHC-QGZVFWFLSA-N 1 1 466.003 2.643 40 0 JFABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224734832 569955348 /nfs/dbraw/zinc/95/53/48/569955348.db2.gz VALUYXQZWDXDOK-XMMPIXPASA-N 1 1 473.639 2.997 40 0 JFABMO Cc1cc(C)c(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c(C)c1 ZINC000224735619 569955432 /nfs/dbraw/zinc/95/54/32/569955432.db2.gz WHWWXICCLKQMBG-UHFFFAOYSA-N 1 1 459.612 2.526 40 0 JFABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224746315 569955782 /nfs/dbraw/zinc/95/57/82/569955782.db2.gz GLRBJPLFHSOTRF-HSZRJFAPSA-N 1 1 459.612 2.688 40 0 JFABMO CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1F ZINC000224748918 569955836 /nfs/dbraw/zinc/95/58/36/569955836.db2.gz FUSGQSBQUPEPEY-UHFFFAOYSA-N 1 1 463.575 2.521 40 0 JFABMO CCOc1ccc(N([C@@H](CC)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224746947 569955874 /nfs/dbraw/zinc/95/58/74/569955874.db2.gz UKSJWYZLHMIHNI-DEOSSOPVSA-N 1 1 489.638 2.779 40 0 JFABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000225112927 569975701 /nfs/dbraw/zinc/97/57/01/569975701.db2.gz FZYJTHFGOPFMHI-UHFFFAOYSA-N 1 1 454.537 2.763 40 0 JFABMO Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)C2CCCCC2)c(C)c1 ZINC000408620046 569977588 /nfs/dbraw/zinc/97/75/88/569977588.db2.gz JKFKUOIJWXIWHW-UHFFFAOYSA-N 1 1 465.660 2.774 40 0 JFABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1cc(C)cc(C)c1 ZINC000408620769 569977961 /nfs/dbraw/zinc/97/79/61/569977961.db2.gz LUUODOGIAMBXBK-UHFFFAOYSA-N 1 1 489.638 2.654 40 0 JFABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000408622967 569979124 /nfs/dbraw/zinc/97/91/24/569979124.db2.gz OKOORTBUCLYORD-KRWDZBQOSA-N 1 1 466.003 2.750 40 0 JFABMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)C2CCCCC2)cc1Cl ZINC000408623296 569979189 /nfs/dbraw/zinc/97/91/89/569979189.db2.gz PXVAHRYGHMCCMB-UHFFFAOYSA-N 1 1 488.050 2.511 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)c(Cl)c2)cc1 ZINC000408630902 569982618 /nfs/dbraw/zinc/98/26/18/569982618.db2.gz XSHXSHWVRVSKMY-UHFFFAOYSA-N 1 1 480.030 2.991 40 0 JFABMO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000408636869 569987022 /nfs/dbraw/zinc/98/70/22/569987022.db2.gz VFXLRZLESOTWEH-UHFFFAOYSA-N 1 1 467.975 2.692 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)CC2)cc1 ZINC000225497007 569999949 /nfs/dbraw/zinc/99/99/49/569999949.db2.gz HFLAZCPLRGSVKG-UHFFFAOYSA-N 1 1 468.579 2.906 40 0 JFABMO CC(C)[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCOCC2)C(=O)C1 ZINC000253394572 570095872 /nfs/dbraw/zinc/09/58/72/570095872.db2.gz BHFRVTONTFUHQA-BQNLEMKZSA-N 1 1 455.599 2.559 40 0 JFABMO CC(C)[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCOCC2)C(=O)C1 ZINC000253394572 570095873 /nfs/dbraw/zinc/09/58/73/570095873.db2.gz BHFRVTONTFUHQA-BQNLEMKZSA-N 1 1 455.599 2.559 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)c3cc[nH]n3)CC2)CC1 ZINC000257199850 570107666 /nfs/dbraw/zinc/10/76/66/570107666.db2.gz ABAUBTBHBORTQI-UHFFFAOYSA-N 1 1 459.978 2.529 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@@H+]3CC[C@]4(CCCO4)[C@H](OCc4ccccc4)C3)cc2oc1=O ZINC000257205832 570109623 /nfs/dbraw/zinc/10/96/23/570109623.db2.gz BATUMDGAGIWCJF-RCZVLFRGSA-N 1 1 451.523 2.910 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@H+]3CC[C@]4(CCCO4)[C@H](OCc4ccccc4)C3)cc2oc1=O ZINC000257205832 570109624 /nfs/dbraw/zinc/10/96/24/570109624.db2.gz BATUMDGAGIWCJF-RCZVLFRGSA-N 1 1 451.523 2.910 40 0 JFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000257209254 570110741 /nfs/dbraw/zinc/11/07/41/570110741.db2.gz BPQKJPSNYDJQJH-XPGKHFPBSA-N 1 1 476.552 2.722 40 0 JFABMO Cc1cc(CC(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@@H+](C)Cc2ccccc2)on1 ZINC000257214604 570112411 /nfs/dbraw/zinc/11/24/11/570112411.db2.gz CMPNKYHQWRDMTA-SDZTWWDVSA-N 1 1 453.514 2.862 40 0 JFABMO CNC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 ZINC000257234998 570118541 /nfs/dbraw/zinc/11/85/41/570118541.db2.gz GVYRROZRMPBOLX-HSZRJFAPSA-N 1 1 459.550 2.692 40 0 JFABMO CNC(=O)[C@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 ZINC000257234998 570118542 /nfs/dbraw/zinc/11/85/42/570118542.db2.gz GVYRROZRMPBOLX-HSZRJFAPSA-N 1 1 459.550 2.692 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@H]3CCN(C(=O)c4c(F)cccc4F)C3)n2)n[nH]1 ZINC000257236130 570119057 /nfs/dbraw/zinc/11/90/57/570119057.db2.gz HAXPXNNORQJOIA-QGZVFWFLSA-N 1 1 496.566 2.987 40 0 JFABMO CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)nc(C)n2)c1 ZINC000257238934 570119921 /nfs/dbraw/zinc/11/99/21/570119921.db2.gz HNELSQWAKLKJFE-DEOSSOPVSA-N 1 1 472.593 2.952 40 0 JFABMO CNC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)nc(C)n2)c1 ZINC000257238934 570119922 /nfs/dbraw/zinc/11/99/22/570119922.db2.gz HNELSQWAKLKJFE-DEOSSOPVSA-N 1 1 472.593 2.952 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000257244924 570121478 /nfs/dbraw/zinc/12/14/78/570121478.db2.gz INIZUOSKYLANMF-VWLOTQADSA-N 1 1 489.613 2.840 40 0 JFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2cccc(C[NH2+]Cc3cnc(OC)nc3)c2)cc1 ZINC000257281198 570133063 /nfs/dbraw/zinc/13/30/63/570133063.db2.gz OOBWVFAUAQIALA-IZZNHLLZSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2cccc(CNCc3cnc(OC)nc3)c2)cc1 ZINC000257281198 570133064 /nfs/dbraw/zinc/13/30/64/570133064.db2.gz OOBWVFAUAQIALA-IZZNHLLZSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2cccc(CNCc3cnc(OC)nc3)c2)cc1 ZINC000257281198 570133066 /nfs/dbraw/zinc/13/30/66/570133066.db2.gz OOBWVFAUAQIALA-IZZNHLLZSA-N 1 1 489.620 2.788 40 0 JFABMO Cc1cnn(CC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257283211 570133551 /nfs/dbraw/zinc/13/35/51/570133551.db2.gz OXFRWKQPNSUSOQ-RUZDIDTESA-N 1 1 488.032 2.697 40 0 JFABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)Cc2cccnc2)cc1 ZINC000257290370 570135692 /nfs/dbraw/zinc/13/56/92/570135692.db2.gz QCRWRBLHKLBZCM-KAHCWPQKSA-N 1 1 479.552 2.969 40 0 JFABMO COc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(N)=O)cc1NCc1cccnc1 ZINC000257310695 570141573 /nfs/dbraw/zinc/14/15/73/570141573.db2.gz UGDLNQRUFQZJOA-HSZRJFAPSA-N 1 1 459.550 2.514 40 0 JFABMO COc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(N)=O)cc1NCc1cccnc1 ZINC000257310695 570141574 /nfs/dbraw/zinc/14/15/74/570141574.db2.gz UGDLNQRUFQZJOA-HSZRJFAPSA-N 1 1 459.550 2.514 40 0 JFABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2cocn2)cc1 ZINC000257311189 570141732 /nfs/dbraw/zinc/14/17/32/570141732.db2.gz UIICVAAPUFJRRR-LGKPFJOYSA-N 1 1 455.486 2.634 40 0 JFABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](CC(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000257323953 570145634 /nfs/dbraw/zinc/14/56/34/570145634.db2.gz WMOQDUGEEVHBFE-DNRSQYFGSA-N 1 1 466.557 2.873 40 0 JFABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000257323953 570145636 /nfs/dbraw/zinc/14/56/36/570145636.db2.gz WMOQDUGEEVHBFE-DNRSQYFGSA-N 1 1 466.557 2.873 40 0 JFABMO COc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257333921 570148761 /nfs/dbraw/zinc/14/87/61/570148761.db2.gz YDRLFXKDTGLCQQ-URXFXBBRSA-N 1 1 451.567 2.769 40 0 JFABMO O[C@]1(CN2CCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000257340230 570150559 /nfs/dbraw/zinc/15/05/59/570150559.db2.gz ZFDNVPGVYFVORX-MHZLTWQESA-N 1 1 461.610 2.721 40 0 JFABMO O[C@]1(C[NH+]2CCN(c3ccccc3)CC2)CCN(Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000257340230 570150560 /nfs/dbraw/zinc/15/05/60/570150560.db2.gz ZFDNVPGVYFVORX-MHZLTWQESA-N 1 1 461.610 2.721 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000260796108 570158318 /nfs/dbraw/zinc/15/83/18/570158318.db2.gz UUSKWHGUOCDWKJ-IBGZPJMESA-N 1 1 451.633 2.651 40 0 JFABMO Cc1ccc(C)c(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000260894855 570162171 /nfs/dbraw/zinc/16/21/71/570162171.db2.gz FYOCZVOSUJVGAD-HXUWFJFHSA-N 1 1 459.612 2.607 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000260897527 570162451 /nfs/dbraw/zinc/16/24/51/570162451.db2.gz IXKNVIVGNNFILE-QHCPKHFHSA-N 1 1 455.624 2.960 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2nc([C@H]3CCCN(C(=O)c4ccccc4)C3)n3ccccc23)CC1 ZINC000306135457 570178385 /nfs/dbraw/zinc/17/83/85/570178385.db2.gz ORHCMLYBPHMIRF-QHCPKHFHSA-N 1 1 488.636 2.721 40 0 JFABMO CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2cnc(N3CCCCC3)nc2)C[C@@]12Cc1ccccc1C(=O)N2 ZINC000057774247 195359855 /nfs/dbraw/zinc/35/98/55/195359855.db2.gz OOVDLEHPJLUAJN-AMGIVPHBSA-N 1 1 476.625 2.538 40 0 JFABMO CC(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2cnc(N3CCCCC3)nc2)C[C@@]12Cc1ccccc1C(=O)N2 ZINC000057774247 195359858 /nfs/dbraw/zinc/35/98/58/195359858.db2.gz OOVDLEHPJLUAJN-AMGIVPHBSA-N 1 1 476.625 2.538 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)CC1 ZINC000044838834 523898258 /nfs/dbraw/zinc/89/82/58/523898258.db2.gz GNYGSXPFEJWVDR-UHFFFAOYSA-N 1 1 450.992 2.508 40 0 JFABMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000022931204 524242996 /nfs/dbraw/zinc/24/29/96/524242996.db2.gz XDGPPXZYGBSQLB-OAQYLSRUSA-N 1 1 470.639 2.864 40 0 JFABMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2Cl)cc1 ZINC000044847979 525597244 /nfs/dbraw/zinc/59/72/44/525597244.db2.gz RQRJBJWEYRLGTE-UHFFFAOYSA-N 1 1 451.976 2.901 40 0 JFABMO CC(C)(C)N1C(=O)[C@@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000009044948 554870002 /nfs/dbraw/zinc/87/00/02/554870002.db2.gz BFNZVVRVIRCIOX-CDXSOPQDSA-N 1 1 453.926 2.593 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501205 555448239 /nfs/dbraw/zinc/44/82/39/555448239.db2.gz OIVPSJZETCTDFF-IBGZPJMESA-N 1 1 482.541 2.702 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501205 555448244 /nfs/dbraw/zinc/44/82/44/555448244.db2.gz OIVPSJZETCTDFF-IBGZPJMESA-N 1 1 482.541 2.702 40 0 JFABMO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000013580812 555519197 /nfs/dbraw/zinc/51/91/97/555519197.db2.gz YCSKFVQAFHGKAY-HXUWFJFHSA-N 1 1 475.586 2.579 40 0 JFABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000020567892 555821404 /nfs/dbraw/zinc/82/14/04/555821404.db2.gz QLAQXPOSKUOZOE-UHFFFAOYSA-N 1 1 480.030 2.991 40 0 JFABMO CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000022232372 555891649 /nfs/dbraw/zinc/89/16/49/555891649.db2.gz PASJHOHMBUHFRH-UHFFFAOYSA-N 1 1 496.029 2.524 40 0 JFABMO CCc1ccccc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000022829510 555955839 /nfs/dbraw/zinc/95/58/39/555955839.db2.gz DIUJPZNWLJAKDD-UHFFFAOYSA-N 1 1 472.655 2.506 40 0 JFABMO COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022929013 555980803 /nfs/dbraw/zinc/98/08/03/555980803.db2.gz UPWVBJVIWAGEMO-DHLKQENFSA-N 1 1 478.597 2.777 40 0 JFABMO COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022929009 555980830 /nfs/dbraw/zinc/98/08/30/555980830.db2.gz UPWVBJVIWAGEMO-WIOPSUGQSA-N 1 1 478.597 2.777 40 0 JFABMO COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022929019 555980949 /nfs/dbraw/zinc/98/09/49/555980949.db2.gz UPWVBJVIWAGEMO-RDGATRHJSA-N 1 1 478.597 2.777 40 0 JFABMO CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000022931210 555984230 /nfs/dbraw/zinc/98/42/30/555984230.db2.gz OIUMYOYFRQBKOU-UHFFFAOYSA-N 1 1 470.639 2.864 40 0 JFABMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](CC)CC2)Cc2ccccc2)cc1C ZINC000025767258 556233227 /nfs/dbraw/zinc/23/32/27/556233227.db2.gz PJBXOTIPXFNHMH-UHFFFAOYSA-N 1 1 459.612 2.749 40 0 JFABMO COCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000019823252 556393401 /nfs/dbraw/zinc/39/34/01/556393401.db2.gz MLCHDFRCIYBTQE-UHFFFAOYSA-N 1 1 460.644 2.580 40 0 JFABMO Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1C ZINC000019823531 556394055 /nfs/dbraw/zinc/39/40/55/556394055.db2.gz SDRBAMIEBBSPNC-JOCHJYFZSA-N 1 1 472.655 2.723 40 0 JFABMO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)c(Cl)c1)c1ccccc1 ZINC000033386127 569625478 /nfs/dbraw/zinc/62/54/78/569625478.db2.gz LOGGSZJUYIMJKZ-INIZCTEOSA-N 1 1 451.976 2.532 40 0 JFABMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000036317538 569763402 /nfs/dbraw/zinc/76/34/02/569763402.db2.gz JHMRTGXGAYAZTL-LJQANCHMSA-N 1 1 469.673 2.889 40 0 JFABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344520 569793885 /nfs/dbraw/zinc/79/38/85/569793885.db2.gz ZSSMDIFBPOICDY-VSRHEVROSA-N 1 1 479.920 2.851 40 0 JFABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344520 569793886 /nfs/dbraw/zinc/79/38/86/569793886.db2.gz ZSSMDIFBPOICDY-VSRHEVROSA-N 1 1 479.920 2.851 40 0 JFABMO Nc1[nH]c(Br)c([C@H]2CCNC(=O)c3[nH]c(Br)c(Br)c32)[nH+]1 ZINC000039166404 569809212 /nfs/dbraw/zinc/80/92/12/569809212.db2.gz NEISLVFGGLIVRA-VKHMYHEASA-N 1 1 467.947 2.873 40 0 in-vitro JFABMO Nc1[nH]c([C@H]2CCNC(=O)c3[nH]c(Br)c(Br)c32)c(Br)[nH+]1 ZINC000039166404 569809214 /nfs/dbraw/zinc/80/92/14/569809214.db2.gz NEISLVFGGLIVRA-VKHMYHEASA-N 1 1 467.947 2.873 40 0 in-vitro JFABMO Cc1nc2nc3ccn(CCC[NH+]4CCN(C)CC4)c(=O)c3c(-c3ccccc3Cl)n2n1 ZINC000040398410 569825975 /nfs/dbraw/zinc/82/59/75/569825975.db2.gz KFHRWBPMCKHGFG-UHFFFAOYSA-N 1 1 451.962 2.706 40 0 JFABMO CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@@H]2[C@H](O)c2ccc(Cl)cc2)C(=O)Nc2ccccc21 ZINC000103517051 569835511 /nfs/dbraw/zinc/83/55/11/569835511.db2.gz BFNZVVRVIRCIOX-KJYIBTOLSA-N 1 1 453.926 2.593 40 0 JFABMO CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@@H]2[C@H](O)c2ccc(Cl)cc2)C(=O)Nc2ccc(F)cc21 ZINC000103515142 569835603 /nfs/dbraw/zinc/83/56/03/569835603.db2.gz OHOFGOANDVJBSY-KJYIBTOLSA-N 1 1 471.916 2.732 40 0 JFABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC000044791329 569838784 /nfs/dbraw/zinc/83/87/84/569838784.db2.gz PKEFHGXOQIWUSI-UHFFFAOYSA-N 1 1 466.401 2.560 40 0 JFABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc2)C1 ZINC000224239600 569937738 /nfs/dbraw/zinc/93/77/38/569937738.db2.gz IZPNKDLFHLVJQL-IBGZPJMESA-N 1 1 459.612 2.978 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000224565806 569948726 /nfs/dbraw/zinc/94/87/26/569948726.db2.gz MOOVPRAKLBAJQT-UHFFFAOYSA-N 1 1 499.677 2.810 40 0 JFABMO CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000224582322 569949498 /nfs/dbraw/zinc/94/94/98/569949498.db2.gz ZETSPXFBZCFQAE-UHFFFAOYSA-N 1 1 481.565 2.660 40 0 JFABMO C[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224724896 569954861 /nfs/dbraw/zinc/95/48/61/569954861.db2.gz GDQLVPGGFOVZTF-QGZVFWFLSA-N 1 1 466.003 2.643 40 0 JFABMO CSc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(=O)N1CCCC1 ZINC000224736033 569955478 /nfs/dbraw/zinc/95/54/78/569955478.db2.gz CWNRQSPQAMEKOZ-UHFFFAOYSA-N 1 1 489.663 2.955 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000224736778 569955483 /nfs/dbraw/zinc/95/54/83/569955483.db2.gz RRHNDLKGEYBVMI-UHFFFAOYSA-N 1 1 489.613 2.516 40 0 JFABMO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000224736707 569955497 /nfs/dbraw/zinc/95/54/97/569955497.db2.gz MEOCDNNERYTBIK-UHFFFAOYSA-N 1 1 485.650 2.685 40 0 JFABMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408594878 569965764 /nfs/dbraw/zinc/96/57/64/569965764.db2.gz PQNKEIOWANBPHM-FQEVSTJZSA-N 1 1 480.428 2.503 40 0 JFABMO Cc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408620150 569977698 /nfs/dbraw/zinc/97/76/98/569977698.db2.gz NBZCIMFSEYXSDR-UHFFFAOYSA-N 1 1 466.003 2.682 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2cccc(C)c2C)cc1 ZINC000408630087 569982025 /nfs/dbraw/zinc/98/20/25/569982025.db2.gz NJLKZAHQISUGLW-UHFFFAOYSA-N 1 1 459.612 2.646 40 0 JFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2Cl)CC1 ZINC000408635997 569986293 /nfs/dbraw/zinc/98/62/93/569986293.db2.gz NUIJFSPSDRWMTP-UHFFFAOYSA-N 1 1 478.014 2.630 40 0 JFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225708671 570016510 /nfs/dbraw/zinc/01/65/10/570016510.db2.gz FBXUQTFQOSMUBE-LJQANCHMSA-N 1 1 467.632 2.775 40 0 JFABMO CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2cnc(N3CCCCC3)nc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000248241398 570076616 /nfs/dbraw/zinc/07/66/16/570076616.db2.gz OOVDLEHPJLUAJN-AJTFRIOCSA-N 1 1 476.625 2.538 40 0 JFABMO CC(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2cnc(N3CCCCC3)nc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000248241398 570076617 /nfs/dbraw/zinc/07/66/17/570076617.db2.gz OOVDLEHPJLUAJN-AJTFRIOCSA-N 1 1 476.625 2.538 40 0 JFABMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cnc(N3CCCCC3)nc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000248241401 570076620 /nfs/dbraw/zinc/07/66/20/570076620.db2.gz OOVDLEHPJLUAJN-WXVAWEFUSA-N 1 1 476.625 2.538 40 0 JFABMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cnc(N3CCCCC3)nc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000248241401 570076621 /nfs/dbraw/zinc/07/66/21/570076621.db2.gz OOVDLEHPJLUAJN-WXVAWEFUSA-N 1 1 476.625 2.538 40 0 JFABMO CCC[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCOCC2)C(=O)C1 ZINC000253394344 570095967 /nfs/dbraw/zinc/09/59/67/570095967.db2.gz AZIDBNOGQBLOKM-BQNLEMKZSA-N 1 1 455.599 2.561 40 0 JFABMO CCC[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCOCC2)C(=O)C1 ZINC000253394344 570095969 /nfs/dbraw/zinc/09/59/69/570095969.db2.gz AZIDBNOGQBLOKM-BQNLEMKZSA-N 1 1 455.599 2.561 40 0 JFABMO CC(C)C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCOCC2)C(=O)C1 ZINC000253408710 570097451 /nfs/dbraw/zinc/09/74/51/570097451.db2.gz YRKBTSYYXFSRMY-PXPXVXOKSA-N 1 1 469.626 2.807 40 0 JFABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257201601 570108220 /nfs/dbraw/zinc/10/82/20/570108220.db2.gz AIHDCEVQEBYJSM-VWLOTQADSA-N 1 1 456.590 2.825 40 0 JFABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257201601 570108221 /nfs/dbraw/zinc/10/82/21/570108221.db2.gz AIHDCEVQEBYJSM-VWLOTQADSA-N 1 1 456.590 2.825 40 0 JFABMO Cc1ccnn1CCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257215526 570112804 /nfs/dbraw/zinc/11/28/04/570112804.db2.gz CQOAYKRPKBQQCR-REWPJTCUSA-N 1 1 488.032 2.695 40 0 JFABMO COc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257220989 570114430 /nfs/dbraw/zinc/11/44/30/570114430.db2.gz DNCLZAKKWFGXPC-URXFXBBRSA-N 1 1 451.567 2.769 40 0 JFABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCn3ccnc3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000257224866 570115604 /nfs/dbraw/zinc/11/56/04/570115604.db2.gz FDTBILGAGNJLCO-HHHXNRCGSA-N 1 1 478.593 2.745 40 0 JFABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCn3ccnc3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000257224866 570115606 /nfs/dbraw/zinc/11/56/06/570115606.db2.gz FDTBILGAGNJLCO-HHHXNRCGSA-N 1 1 478.593 2.745 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3cnn(C4CCCC4)c3)CCO2)CC1 ZINC000257234137 570118283 /nfs/dbraw/zinc/11/82/83/570118283.db2.gz GSIJZHHVFNINEM-HHHXNRCGSA-N 1 1 499.631 2.951 40 0 JFABMO CCOCC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257237251 570119392 /nfs/dbraw/zinc/11/93/92/570119392.db2.gz HFTJUFCHUNSOPU-QHCPKHFHSA-N 1 1 451.995 2.528 40 0 JFABMO CNC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)nc(C)n2)c1 ZINC000257238935 570119927 /nfs/dbraw/zinc/11/99/27/570119927.db2.gz HNELSQWAKLKJFE-XMMPIXPASA-N 1 1 472.593 2.952 40 0 JFABMO CNC(=O)[C@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)nc(C)n2)c1 ZINC000257238935 570119928 /nfs/dbraw/zinc/11/99/28/570119928.db2.gz HNELSQWAKLKJFE-XMMPIXPASA-N 1 1 472.593 2.952 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@@H]3CCN(C(=O)CC(C)(C)C)C3)n2)n[nH]1 ZINC000257242661 570120943 /nfs/dbraw/zinc/12/09/43/570120943.db2.gz IDOQEPQKZZGFQZ-SFHVURJKSA-N 1 1 454.623 2.831 40 0 JFABMO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000257243070 570121042 /nfs/dbraw/zinc/12/10/42/570121042.db2.gz IFJAZPRHXHDVGS-IBGZPJMESA-N 1 1 461.570 2.741 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CN(C(=O)C(C)(C)C)CCO2)CC1 ZINC000257246501 570122047 /nfs/dbraw/zinc/12/20/47/570122047.db2.gz IUJANVABSBHHPD-QHCPKHFHSA-N 1 1 451.995 2.527 40 0 JFABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2coc(C)n2)cc1 ZINC000257250492 570123356 /nfs/dbraw/zinc/12/33/56/570123356.db2.gz JMTCZBWTYQDBHN-AZOUXBGGSA-N 1 1 469.513 2.942 40 0 JFABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](CC(=O)NCCc3nc4ccccc4[nH]3)[C@H]1CCCC(=O)N2 ZINC000257265599 570128118 /nfs/dbraw/zinc/12/81/18/570128118.db2.gz LZIZEEDEYAPTTC-CGHRXAFASA-N 1 1 459.594 2.966 40 0 JFABMO COc1ccc(NC(C)=O)cc1CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cncnc1 ZINC000257265857 570128192 /nfs/dbraw/zinc/12/81/92/570128192.db2.gz MAQOXGHAJNMQEJ-TXTKFYIRSA-N 1 1 451.571 2.651 40 0 JFABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257268285 570129152 /nfs/dbraw/zinc/12/91/52/570129152.db2.gz MLABZWMXPDTLFG-RXVVDRJESA-N 1 1 474.989 2.644 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000257279512 570132560 /nfs/dbraw/zinc/13/25/60/570132560.db2.gz OGYPJCVZVJBFMF-UHFFFAOYSA-N 1 1 489.613 2.840 40 0 JFABMO CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)[C@@]2(CCCc3ccncc3)CCC[N@@H+](C)C2)C1 ZINC000257296086 570137265 /nfs/dbraw/zinc/13/72/65/570137265.db2.gz RBEHDBKKENRGLB-SVBPBHIXSA-N 1 1 463.626 2.818 40 0 JFABMO CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)[C@]2(CCCc3ccncc3)CCC[N@@H+](C)C2)C1 ZINC000257296087 570137278 /nfs/dbraw/zinc/13/72/78/570137278.db2.gz RBEHDBKKENRGLB-SXOMAYOGSA-N 1 1 463.626 2.818 40 0 JFABMO COc1ccc(C[N@@H+](C)[C@H]2CN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)C[C@@H]2O)cc1 ZINC000257319635 570144388 /nfs/dbraw/zinc/14/43/88/570144388.db2.gz VTKGDEWJPWGRKL-DQEYMECFSA-N 1 1 462.550 2.998 40 0 JFABMO CCCc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000257336980 570149603 /nfs/dbraw/zinc/14/96/03/570149603.db2.gz YQWSPLXGLGYFDQ-MBSDFSHPSA-N 1 1 472.561 2.840 40 0 JFABMO Cc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000260885902 570161570 /nfs/dbraw/zinc/16/15/70/570161570.db2.gz AGJCNZNZXSXAGM-GOSISDBHSA-N 1 1 480.030 2.952 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1C[C@H]1CCCO1)C1CCCCC1)OCCO3 ZINC000001373829 194107930 /nfs/dbraw/zinc/10/79/30/194107930.db2.gz ARQOKKPBGCYNQJ-HXUWFJFHSA-N 1 1 480.569 2.800 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1C[C@H]1CCCO1)C1CCCCC1)OCCO3 ZINC000001373829 194107931 /nfs/dbraw/zinc/10/79/31/194107931.db2.gz ARQOKKPBGCYNQJ-HXUWFJFHSA-N 1 1 480.569 2.800 40 0 JFABMO COc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](C3CCN(C(C)=O)CC3)C2)cc1 ZINC000004236304 194385313 /nfs/dbraw/zinc/38/53/13/194385313.db2.gz GFCAXESWBRTQAK-AZUAARDMSA-N 1 1 464.566 2.539 40 0 biogenic,in-vitro JFABMO CC(=O)N1CCc2cc([C@H](O)C[N@@H+]3[C@@H]4CC[C@H]3CC(O)(c3ccc5c(c3)OCO5)C4)ccc21 ZINC000057774474 195360139 /nfs/dbraw/zinc/36/01/39/195360139.db2.gz PYGZACYHCWQSAK-WTIKXFBWSA-N 1 1 450.535 2.872 40 0 JFABMO CC(=O)N1CCc2cc([C@@H](O)C[N@@H+]3[C@@H]4CC[C@H]3CC(O)(c3ccc5c(c3)OCO5)C4)ccc21 ZINC000057774479 195360370 /nfs/dbraw/zinc/36/03/70/195360370.db2.gz PYGZACYHCWQSAK-KRTKHCGQSA-N 1 1 450.535 2.872 40 0 JFABMO COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(C)(=O)=O ZINC000020495688 524214819 /nfs/dbraw/zinc/21/48/19/524214819.db2.gz VBURVUWEOPQCDW-UHFFFAOYSA-N 1 1 462.959 2.925 40 0 JFABMO Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1C ZINC000019824381 525639442 /nfs/dbraw/zinc/63/94/42/525639442.db2.gz XSUCBNYWTNVKHB-QFIPXVFZSA-N 1 1 472.655 2.723 40 0 JFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000044903824 527372572 /nfs/dbraw/zinc/37/25/72/527372572.db2.gz ZFBCZMGTHCIBSX-UHFFFAOYSA-N 1 1 474.970 2.785 40 0 JFABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000000930091 553867568 /nfs/dbraw/zinc/86/75/68/553867568.db2.gz NGGZVTMQNDYRRX-URXFXBBRSA-N 1 1 455.566 2.741 40 0 JFABMO COc1ccc(C(=O)N(CCC[NH+]2CCOCC2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1OC ZINC000019941077 555559781 /nfs/dbraw/zinc/55/97/81/555559781.db2.gz FCQWSLHBROSHGI-DEOSSOPVSA-N 1 1 498.624 2.919 40 0 JFABMO COc1cccc2c1cc1c(=O)n(CC(=O)NCCC[N@H+]3CCc4ccccc4C3)nc(C)n12 ZINC000009971723 555570223 /nfs/dbraw/zinc/57/02/23/555570223.db2.gz GOUGTXGDFYIOAP-UHFFFAOYSA-N 1 1 459.550 2.531 40 0 JFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000020045793 555616636 /nfs/dbraw/zinc/61/66/36/555616636.db2.gz HQRBIWCGVWWFEN-UHFFFAOYSA-N 1 1 455.584 2.727 40 0 JFABMO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000020079908 555628872 /nfs/dbraw/zinc/62/88/72/555628872.db2.gz CUBFWXVCHJHZTR-DEOSSOPVSA-N 1 1 473.581 2.525 40 0 JFABMO COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022230056 555888895 /nfs/dbraw/zinc/88/88/95/555888895.db2.gz WLJKMZYTPZHXQD-QFIPXVFZSA-N 1 1 457.596 2.501 40 0 JFABMO O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@H+]2C1 ZINC000015707603 555952908 /nfs/dbraw/zinc/95/29/08/555952908.db2.gz AKZXAYBHFFROGZ-VWPQPMDRSA-N 1 1 481.984 2.772 40 0 biogenic,in-vitro JFABMO O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@@H+]2C1 ZINC000015707603 555952911 /nfs/dbraw/zinc/95/29/11/555952911.db2.gz AKZXAYBHFFROGZ-VWPQPMDRSA-N 1 1 481.984 2.772 40 0 biogenic,in-vitro JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(Cl)cc2)cc1 ZINC000022829521 555955806 /nfs/dbraw/zinc/95/58/06/555955806.db2.gz UAVGALGMOHZFLZ-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO COc1ccc(OC)c([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022929061 555980906 /nfs/dbraw/zinc/98/09/06/555980906.db2.gz QWYXOPHCPNTHRT-WIOPSUGQSA-N 1 1 478.597 2.777 40 0 JFABMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016012088 556111048 /nfs/dbraw/zinc/11/10/48/556111048.db2.gz PQBZPXSNEYDBOO-DRMCAJHRSA-N 1 1 474.344 2.603 40 0 JFABMO COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000025767314 556233069 /nfs/dbraw/zinc/23/30/69/556233069.db2.gz PLUNMWPHJXGSQI-UHFFFAOYSA-N 1 1 475.586 2.579 40 0 JFABMO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064483 556261918 /nfs/dbraw/zinc/26/19/18/556261918.db2.gz DODMSWRXUIVMGT-FQEVSTJZSA-N 1 1 468.558 2.828 40 0 JFABMO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064483 556261919 /nfs/dbraw/zinc/26/19/19/556261919.db2.gz DODMSWRXUIVMGT-FQEVSTJZSA-N 1 1 468.558 2.828 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000018217463 556312058 /nfs/dbraw/zinc/31/20/58/556312058.db2.gz AYMBCWITCXMIHQ-QFIPXVFZSA-N 1 1 478.014 2.642 40 0 JFABMO O=C(NC1CCCCC1)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019292520 556338114 /nfs/dbraw/zinc/33/81/14/556338114.db2.gz OQPYLYRHOKCMOX-UHFFFAOYSA-N 1 1 470.570 2.823 40 0 JFABMO O=C(NCc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019372677 556347458 /nfs/dbraw/zinc/34/74/58/556347458.db2.gz OYULKTMIBBHGLG-UHFFFAOYSA-N 1 1 478.549 2.691 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000029716267 556356143 /nfs/dbraw/zinc/35/61/43/556356143.db2.gz VYDBIMCRTSYLOY-UHFFFAOYSA-N 1 1 478.014 2.887 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029882385 556359711 /nfs/dbraw/zinc/35/97/11/556359711.db2.gz QAHTZAUOIPAFMV-NRFANRHFSA-N 1 1 492.041 2.889 40 0 JFABMO CN(Cc1ccccc1)C(=O)[C@H]1O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC000030878604 556386164 /nfs/dbraw/zinc/38/61/64/556386164.db2.gz UGUXZMOUYOXRIW-GSDHBNRESA-N 1 1 451.611 2.761 40 0 biogenic,in-vitro JFABMO COc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CC[NH+](C)CC3)C[C@H]2C(C)C)cc1 ZINC000030880739 556386322 /nfs/dbraw/zinc/38/63/22/556386322.db2.gz JMCBNLZCBWQUPH-HFMPRLQTSA-N 1 1 477.671 2.992 40 0 biogenic,in-vitro JFABMO Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1C ZINC000019823529 556394099 /nfs/dbraw/zinc/39/40/99/556394099.db2.gz SDRBAMIEBBSPNC-QFIPXVFZSA-N 1 1 472.655 2.723 40 0 JFABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@H]3CCCO3)cc12 ZINC000019824189 556395094 /nfs/dbraw/zinc/39/50/94/556395094.db2.gz FIOPDOQCSNSZEN-OAQYLSRUSA-N 1 1 472.655 2.723 40 0 JFABMO Cc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000019824349 556395409 /nfs/dbraw/zinc/39/54/09/556395409.db2.gz GBORAYLNSOIESN-JOCHJYFZSA-N 1 1 472.655 2.723 40 0 JFABMO CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCCOc2ccc(NC(=O)C=CC(=O)[O-])cc2)c1 ZINC000031938849 556411639 /nfs/dbraw/zinc/41/16/39/556411639.db2.gz CUECVWQONYWKTH-QXMHVHEDSA-N 1 1 480.525 2.719 40 0 JFABMO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289848 560031772 /nfs/dbraw/zinc/03/17/72/560031772.db2.gz PEXKOLFEKXGUJE-FGZHOGPDSA-N 1 1 459.512 2.780 40 0 biogenic,in-vitro JFABMO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289848 560031773 /nfs/dbraw/zinc/03/17/73/560031773.db2.gz PEXKOLFEKXGUJE-FGZHOGPDSA-N 1 1 459.512 2.780 40 0 biogenic,in-vitro JFABMO CCC(C)(C)n1nnnc1CN(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000095549335 569727473 /nfs/dbraw/zinc/72/74/73/569727473.db2.gz HELXNQMOBLXBEP-UHFFFAOYSA-N 1 1 467.618 2.693 40 0 JFABMO COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CC[NH+](Cc4nccs4)CC3)O2)cc1 ZINC000096036690 569732239 /nfs/dbraw/zinc/73/22/39/569732239.db2.gz FHOGHPZVRKBSIT-LJQANCHMSA-N 1 1 453.568 2.555 40 0 JFABMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000105346637 569852852 /nfs/dbraw/zinc/85/28/52/569852852.db2.gz PQBZPXSNEYDBOO-FRGLDDCUSA-N 1 1 474.344 2.603 40 0 JFABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc2)C1 ZINC000224239538 569937648 /nfs/dbraw/zinc/93/76/48/569937648.db2.gz IZPNKDLFHLVJQL-LJQANCHMSA-N 1 1 459.612 2.978 40 0 JFABMO CC(C)c1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224548077 569947987 /nfs/dbraw/zinc/94/79/87/569947987.db2.gz IEIBXOMCTXLOFE-UHFFFAOYSA-N 1 1 459.612 2.725 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000224550660 569948138 /nfs/dbraw/zinc/94/81/38/569948138.db2.gz VXKWXNBENOLSFD-UHFFFAOYSA-N 1 1 486.421 2.908 40 0 JFABMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224556151 569948261 /nfs/dbraw/zinc/94/82/61/569948261.db2.gz HXLCJSHLPUPPQH-KRWDZBQOSA-N 1 1 466.003 2.643 40 0 JFABMO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224559778 569948459 /nfs/dbraw/zinc/94/84/59/569948459.db2.gz NCPBKPUCSMAHGR-KRWDZBQOSA-N 1 1 496.029 2.652 40 0 JFABMO Cc1ccccc1N(CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224581363 569949433 /nfs/dbraw/zinc/94/94/33/569949433.db2.gz XIOWVRMJWGBZOW-UHFFFAOYSA-N 1 1 459.612 2.690 40 0 JFABMO CCOc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224581806 569949472 /nfs/dbraw/zinc/94/94/72/569949472.db2.gz MNHGFLSXBKNSRO-UHFFFAOYSA-N 1 1 489.638 2.780 40 0 JFABMO CC(C)n1c2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2sc1=O ZINC000224589990 569949781 /nfs/dbraw/zinc/94/97/81/569949781.db2.gz PKBORZKSUHVNAU-UHFFFAOYSA-N 1 1 461.609 2.955 40 0 JFABMO CC(C)c1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224713866 569954482 /nfs/dbraw/zinc/95/44/82/569954482.db2.gz XMRFOSKFYPKPMQ-UHFFFAOYSA-N 1 1 459.612 2.725 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000224714772 569954504 /nfs/dbraw/zinc/95/45/04/569954504.db2.gz OHUANDKETHSTRN-UHFFFAOYSA-N 1 1 485.528 2.620 40 0 JFABMO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000224715386 569954538 /nfs/dbraw/zinc/95/45/38/569954538.db2.gz LYKVOZDKPGFYKC-UHFFFAOYSA-N 1 1 466.003 2.563 40 0 JFABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1Br ZINC000224724134 569954840 /nfs/dbraw/zinc/95/48/40/569954840.db2.gz OESWEMUCPLZXBW-UHFFFAOYSA-N 1 1 455.374 2.768 40 0 JFABMO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000224725326 569954856 /nfs/dbraw/zinc/95/48/56/569954856.db2.gz MZIVPFVCSCNNBN-UHFFFAOYSA-N 1 1 457.596 2.542 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000224743874 569955722 /nfs/dbraw/zinc/95/57/22/569955722.db2.gz QATFFUWLNBGEEV-UHFFFAOYSA-N 1 1 457.596 2.623 40 0 JFABMO CCc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224745261 569955815 /nfs/dbraw/zinc/95/58/15/569955815.db2.gz PJZMLPVOVRCHNR-IBGZPJMESA-N 1 1 459.612 2.552 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000224756277 569956206 /nfs/dbraw/zinc/95/62/06/569956206.db2.gz XSMCHKRRZHDGDI-HSZRJFAPSA-N 1 1 471.623 2.544 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2ccc(Cl)cc2)cc1 ZINC000408617423 569976192 /nfs/dbraw/zinc/97/61/92/569976192.db2.gz CGOHVECQPWSNDE-UHFFFAOYSA-N 1 1 480.030 2.678 40 0 JFABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(C)c(C)c1 ZINC000408619342 569977283 /nfs/dbraw/zinc/97/72/83/569977283.db2.gz HIPWZDOOKVJERD-UHFFFAOYSA-N 1 1 489.638 2.654 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(Cl)cc2C)cc1 ZINC000408629881 569981851 /nfs/dbraw/zinc/98/18/51/569981851.db2.gz JQNSJILNJSTPHN-UHFFFAOYSA-N 1 1 480.030 2.991 40 0 JFABMO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1OC ZINC000252550867 570083348 /nfs/dbraw/zinc/08/33/48/570083348.db2.gz SZJRKITVRBMKNW-ACRUOGEOSA-N 1 1 486.613 2.532 40 0 JFABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C1CCC1)CC2=O)N1CCOCC1 ZINC000253405701 570097081 /nfs/dbraw/zinc/09/70/81/570097081.db2.gz SZLNTSLDXSKYIG-CJNRHSBSSA-N 1 1 467.610 2.703 40 0 JFABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCC1)CC2=O)N1CCOCC1 ZINC000253405701 570097083 /nfs/dbraw/zinc/09/70/83/570097083.db2.gz SZLNTSLDXSKYIG-CJNRHSBSSA-N 1 1 467.610 2.703 40 0 JFABMO COc1ccc(C(=O)N2CC[C@@H](Cc3nc(Nc4cc(C)[nH]n4)cc(N4CC[NH+](C)CC4)n3)C2)cc1 ZINC000257214466 570112454 /nfs/dbraw/zinc/11/24/54/570112454.db2.gz CMCPIUIBLQQUIL-IBGZPJMESA-N 1 1 490.612 2.717 40 0 JFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257223058 570115022 /nfs/dbraw/zinc/11/50/22/570115022.db2.gz DVSXTORVPCCMMP-RUZDIDTESA-N 1 1 472.561 2.521 40 0 JFABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257237763 570119507 /nfs/dbraw/zinc/11/95/07/570119507.db2.gz HIBJQDBQRHJRJL-RXVVDRJESA-N 1 1 474.989 2.644 40 0 JFABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)CN4CCN(C)CC4)C[C@@H]32)cc1OC ZINC000257246213 570122033 /nfs/dbraw/zinc/12/20/33/570122033.db2.gz ITCHCZINZRLQMB-TWJOJJKGSA-N 1 1 492.664 2.768 40 0 JFABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2NC(=O)CN2CCOCC2)n1 ZINC000257259879 570126226 /nfs/dbraw/zinc/12/62/26/570126226.db2.gz LALFICVVBKOKTQ-QHCPKHFHSA-N 1 1 474.565 2.824 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccccc3F)C2)CC1 ZINC000257273364 570130652 /nfs/dbraw/zinc/13/06/52/570130652.db2.gz NGFXTWGSVNSSNL-RUZDIDTESA-N 1 1 489.613 2.840 40 0 JFABMO COc1ccc(C2(C(=O)N3CC[C@@](O)(C[N@@H+](C)Cc4ccc(F)cc4)C3)CCOCC2)cc1 ZINC000257281386 570133186 /nfs/dbraw/zinc/13/31/86/570133186.db2.gz OOYJQVRFHHAMQM-RUZDIDTESA-N 1 1 456.558 2.978 40 0 JFABMO CCCCC(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257281817 570133259 /nfs/dbraw/zinc/13/32/59/570133259.db2.gz ORDKETYCRCONCR-HSZRJFAPSA-N 1 1 451.995 2.671 40 0 JFABMO Cc1nn(C)c(C)c1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257287403 570134892 /nfs/dbraw/zinc/13/48/92/570134892.db2.gz PPVAOZLYYVWLHR-HSZRJFAPSA-N 1 1 490.656 2.508 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3nccs3)CCO2)CC1 ZINC000257291252 570135872 /nfs/dbraw/zinc/13/58/72/570135872.db2.gz QGGLNYSANSBAFU-JOCHJYFZSA-N 1 1 465.019 2.611 40 0 JFABMO O=C(c1ccc(-n2cccn2)nc1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2cnccn2)C1 ZINC000257297053 570137654 /nfs/dbraw/zinc/13/76/54/570137654.db2.gz RFOXNNZNHOGHEB-JOCHJYFZSA-N 1 1 453.550 2.874 40 0 JFABMO O=C(COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3F)CC2)cc1)N1CCOCC1 ZINC000257313718 570142564 /nfs/dbraw/zinc/14/25/64/570142564.db2.gz UTULLFUEGVUYNQ-AREMUKBSSA-N 1 1 472.557 2.859 40 0 JFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccc(CNCc3cnc(OC)nc3)cc2)cc1 ZINC000257334818 570149033 /nfs/dbraw/zinc/14/90/33/570149033.db2.gz YHMMQKCORVFRPC-CLJLJLNGSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNCc3cnc(OC)nc3)cc2)cc1 ZINC000257334818 570149035 /nfs/dbraw/zinc/14/90/35/570149035.db2.gz YHMMQKCORVFRPC-CLJLJLNGSA-N 1 1 489.620 2.788 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)COc3ccc(F)cc3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257339300 570150280 /nfs/dbraw/zinc/15/02/80/570150280.db2.gz ZBDMCZYBXHMXJH-CYFREDJKSA-N 1 1 487.547 2.804 40 0 JFABMO O[C@@]1(CN2CCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000257340229 570150417 /nfs/dbraw/zinc/15/04/17/570150417.db2.gz ZFDNVPGVYFVORX-HHHXNRCGSA-N 1 1 461.610 2.721 40 0 JFABMO O[C@@]1(C[NH+]2CCN(c3ccccc3)CC2)CCN(Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000257340229 570150418 /nfs/dbraw/zinc/15/04/18/570150418.db2.gz ZFDNVPGVYFVORX-HHHXNRCGSA-N 1 1 461.610 2.721 40 0 JFABMO O=C(C[N@H+]1CCC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1)N1CC(=O)Nc2ccccc21 ZINC000257342339 570150940 /nfs/dbraw/zinc/15/09/40/570150940.db2.gz ZOESZFOXXPRFPS-DEOSSOPVSA-N 1 1 452.486 2.992 40 0 JFABMO O=C(C[N@@H+]1CCC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1)N1CC(=O)Nc2ccccc21 ZINC000257342339 570150942 /nfs/dbraw/zinc/15/09/42/570150942.db2.gz ZOESZFOXXPRFPS-DEOSSOPVSA-N 1 1 452.486 2.992 40 0 JFABMO Cc1nn(C)cc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257344333 570151631 /nfs/dbraw/zinc/15/16/31/570151631.db2.gz ZWSYKXXWPPFLSG-RUZDIDTESA-N 1 1 488.032 2.847 40 0 JFABMO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000260892651 570162073 /nfs/dbraw/zinc/16/20/73/570162073.db2.gz BTFISFKTWACFHT-GOSISDBHSA-N 1 1 480.030 2.952 40 0 JFABMO CCc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000260899683 570162646 /nfs/dbraw/zinc/16/26/46/570162646.db2.gz PJZMLPVOVRCHNR-LJQANCHMSA-N 1 1 459.612 2.552 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2nc(-c3ccn(Cc4cccnc4)c3)n3ccccc23)CC1 ZINC000306124130 570177998 /nfs/dbraw/zinc/17/79/98/570177998.db2.gz BGWLGMFHKJFDNM-UHFFFAOYSA-N 1 1 457.582 2.613 40 0 JFABMO CC[NH+](CC)CC(=O)O[C@@]1(CC)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000003785240 194361526 /nfs/dbraw/zinc/36/15/26/194361526.db2.gz XYFGJQHJTZRIDW-SANMLTNESA-N 1 1 461.518 2.972 40 0 JFABMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cnc(N3CCCCC3)nc2)C[C@@]12Cc1ccccc1C(=O)N2 ZINC000057774243 195359966 /nfs/dbraw/zinc/35/99/66/195359966.db2.gz OOVDLEHPJLUAJN-CUNXSJBXSA-N 1 1 476.625 2.538 40 0 JFABMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cnc(N3CCCCC3)nc2)C[C@@]12Cc1ccccc1C(=O)N2 ZINC000057774243 195359969 /nfs/dbraw/zinc/35/99/69/195359969.db2.gz OOVDLEHPJLUAJN-CUNXSJBXSA-N 1 1 476.625 2.538 40 0 JFABMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000058218806 195374008 /nfs/dbraw/zinc/37/40/08/195374008.db2.gz IMGRHYGUGBKSGT-IOMROCGXSA-N 1 1 460.600 2.644 40 0 JFABMO COC(=O)[C@H]1[C@H]2C(Cl)=C[C@@]3([C@H]4Cc5ccc(OC)c6c5[C@@]3(CC[N@@H+]4C)[C@]2(C)O6)[C@H]1C(=O)OC ZINC000096316393 130059185 /nfs/dbraw/zinc/05/91/85/130059185.db2.gz XZOGQYPZQYHJLG-GXFGQNLFSA-N 1 1 473.953 2.675 40 0 biogenic,in-vitro JFABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3CN3CCOCC3)c4=O)C2)CC1 ZINC000020503683 519510706 /nfs/dbraw/zinc/51/07/06/519510706.db2.gz WLGRGOGJTIXJGZ-LADGPHEKSA-N 1 1 490.648 2.778 40 0 biogenic,in-vitro JFABMO COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020083116 522157053 /nfs/dbraw/zinc/15/70/53/522157053.db2.gz PYWIICDWHCHPFB-VWLOTQADSA-N 1 1 487.608 2.685 40 0 JFABMO CCN(CC)c1ccc(NC(=O)Cn2nnc(-c3ccc(C[NH+]4CCOCC4)cc3)n2)c(C)c1 ZINC000000907943 553840309 /nfs/dbraw/zinc/84/03/09/553840309.db2.gz BEYUZKNADFALSO-UHFFFAOYSA-N 1 1 463.586 2.966 40 0 JFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000009013218 554865013 /nfs/dbraw/zinc/86/50/13/554865013.db2.gz INSOEGISNFOBEP-VUYBDXIFSA-N 1 1 465.893 2.542 40 0 JFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000009013218 554865015 /nfs/dbraw/zinc/86/50/15/554865015.db2.gz INSOEGISNFOBEP-VUYBDXIFSA-N 1 1 465.893 2.542 40 0 JFABMO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940606 555559176 /nfs/dbraw/zinc/55/91/76/555559176.db2.gz YXEVKCONWVZBMD-JYFHCDHNSA-N 1 1 499.619 2.909 40 0 JFABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000020082387 555630994 /nfs/dbraw/zinc/63/09/94/555630994.db2.gz VTVZYZKXLPNBMT-RDGATRHJSA-N 1 1 469.593 2.995 40 0 JFABMO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020083390 555631255 /nfs/dbraw/zinc/63/12/55/555631255.db2.gz BMRNYMPMYYVDTG-VWLOTQADSA-N 1 1 487.608 2.685 40 0 JFABMO CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000015318999 555897318 /nfs/dbraw/zinc/89/73/18/555897318.db2.gz VVAVXOVAYNFDDG-UHFFFAOYSA-N 1 1 452.349 2.823 40 0 JFABMO CN1CC[NH+](CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000022829483 555955371 /nfs/dbraw/zinc/95/53/71/555955371.db2.gz ZQIFLFNQVOHZFP-UHFFFAOYSA-N 1 1 499.464 2.942 40 0 JFABMO COc1ccc(OC)c([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022929067 555981335 /nfs/dbraw/zinc/98/13/35/555981335.db2.gz QWYXOPHCPNTHRT-RCZVLFRGSA-N 1 1 478.597 2.777 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccccc2Cl)cc1 ZINC000022935081 555987686 /nfs/dbraw/zinc/98/76/86/555987686.db2.gz IUMCSSAESBXQTE-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO CSc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(C)cc2)cc1 ZINC000022934947 555987982 /nfs/dbraw/zinc/98/79/82/555987982.db2.gz AYHRVJNWOHCCLG-UHFFFAOYSA-N 1 1 490.695 2.666 40 0 JFABMO CN(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000024643345 556143280 /nfs/dbraw/zinc/14/32/80/556143280.db2.gz UFPAGKWNZMNALN-UHFFFAOYSA-N 1 1 467.591 2.609 40 0 JFABMO CC[NH+](CC)CC(=O)O[C@]1(CC)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000017141337 556224810 /nfs/dbraw/zinc/22/48/10/556224810.db2.gz XYFGJQHJTZRIDW-AREMUKBSSA-N 1 1 461.518 2.972 40 0 JFABMO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000025767292 556233095 /nfs/dbraw/zinc/23/30/95/556233095.db2.gz TVOPOMVBVZMBPN-QHCPKHFHSA-N 1 1 455.624 2.982 40 0 JFABMO Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000026099646 556240887 /nfs/dbraw/zinc/24/08/87/556240887.db2.gz ZUUSHCSOQJVUCT-UHFFFAOYSA-N 1 1 465.623 2.831 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064131 556261561 /nfs/dbraw/zinc/26/15/61/556261561.db2.gz JAZHEIISTITWBF-NRFANRHFSA-N 1 1 468.558 2.982 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064131 556261563 /nfs/dbraw/zinc/26/15/63/556261563.db2.gz JAZHEIISTITWBF-NRFANRHFSA-N 1 1 468.558 2.982 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000018217490 556311883 /nfs/dbraw/zinc/31/18/83/556311883.db2.gz JEOSHTJJFCFDDW-UHFFFAOYSA-N 1 1 457.596 2.623 40 0 JFABMO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019563384 556354155 /nfs/dbraw/zinc/35/41/55/556354155.db2.gz SHVMWJFIWXFMQV-AUSIDOKSSA-N 1 1 463.586 2.898 40 0 JFABMO COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000019569217 556355373 /nfs/dbraw/zinc/35/53/73/556355373.db2.gz XCQUOYGENPIIAF-DEOSSOPVSA-N 1 1 473.581 2.525 40 0 JFABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4cnc5ccccc5c4)C3)C2)c1 ZINC000514289477 560032653 /nfs/dbraw/zinc/03/26/53/560032653.db2.gz LXUQPYRDRZJKBL-LOSJGSFVSA-N 1 1 472.589 2.527 40 0 biogenic,in-vitro JFABMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000033734558 569632688 /nfs/dbraw/zinc/63/26/88/569632688.db2.gz XWCIQMFTPBSYFN-FRSOLWMCSA-N 1 1 481.618 2.864 40 0 JFABMO Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](N)C(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)CC2 ZINC000098091928 569750768 /nfs/dbraw/zinc/75/07/68/569750768.db2.gz RYYVRFAJTNFQBC-GOSISDBHSA-N 1 1 496.674 2.967 40 0 JFABMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000101342846 569793741 /nfs/dbraw/zinc/79/37/41/569793741.db2.gz NPAYUIISMDEQGJ-JYISGYRJSA-N 1 1 455.873 2.919 40 0 JFABMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000101342846 569793743 /nfs/dbraw/zinc/79/37/43/569793743.db2.gz NPAYUIISMDEQGJ-JYISGYRJSA-N 1 1 455.873 2.919 40 0 JFABMO CCN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985358 569812982 /nfs/dbraw/zinc/81/29/82/569812982.db2.gz DNGYXFUEBQHXHV-UHFFFAOYSA-N 1 1 480.428 2.804 40 0 JFABMO COc1ccc(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1S(=O)(=O)N(C)C ZINC000222911604 569894163 /nfs/dbraw/zinc/89/41/63/569894163.db2.gz JLOSMEDBLOAENB-UHFFFAOYSA-N 1 1 462.959 2.989 40 0 JFABMO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1CCCN1CCOCC1 ZINC000223262796 569905314 /nfs/dbraw/zinc/90/53/14/569905314.db2.gz SLODPFVERBVVNH-BJKOFHAPSA-N 1 1 470.687 2.756 40 0 JFABMO CC1CC[NH+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)CC1 ZINC000224199464 569936194 /nfs/dbraw/zinc/93/61/94/569936194.db2.gz ASOHOYHANAFXPS-UHFFFAOYSA-N 1 1 458.009 2.844 40 0 JFABMO Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224549588 569948072 /nfs/dbraw/zinc/94/80/72/569948072.db2.gz SBQIAVJUKXTMTD-UHFFFAOYSA-N 1 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CCc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224748845 569955878 /nfs/dbraw/zinc/95/58/78/569955878.db2.gz KOMFVPZOKBPBOR-UHFFFAOYSA-N 1 1 473.639 2.944 40 0 JFABMO CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000224749118 569955949 /nfs/dbraw/zinc/95/59/49/569955949.db2.gz JKOSTEHSQGMWPX-UHFFFAOYSA-N 1 1 481.565 2.660 40 0 JFABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224794479 569957905 /nfs/dbraw/zinc/95/79/05/569957905.db2.gz LGZMRYCXZVWMRK-UHFFFAOYSA-N 1 1 451.976 2.557 40 0 JFABMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408594884 569965737 /nfs/dbraw/zinc/96/57/37/569965737.db2.gz PQNKEIOWANBPHM-HXUWFJFHSA-N 1 1 480.428 2.503 40 0 JFABMO Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408595863 569966518 /nfs/dbraw/zinc/96/65/18/569966518.db2.gz VNJHZTFEOLQMHJ-UHFFFAOYSA-N 1 1 471.623 2.893 40 0 JFABMO O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 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SXHGVMDVVPZUDJ-MHZLTWQESA-N 1 1 461.610 2.758 40 0 JFABMO COc1cccc(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257322661 570145160 /nfs/dbraw/zinc/14/51/60/570145160.db2.gz WGXNABISURZDIV-DHLKQENFSA-N 1 1 465.594 2.698 40 0 JFABMO COC(C)(C)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257328207 570146962 /nfs/dbraw/zinc/14/69/62/570146962.db2.gz XEPNKFDLMUXJLJ-PXNSSMCTSA-N 1 1 451.995 2.525 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccc(CNCc3cnc(OC)nc3)cc2)cc1 ZINC000257334819 570149063 /nfs/dbraw/zinc/14/90/63/570149063.db2.gz YHMMQKCORVFRPC-FTJBHMTQSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNCc3cnc(OC)nc3)cc2)cc1 ZINC000257334819 570149064 /nfs/dbraw/zinc/14/90/64/570149064.db2.gz YHMMQKCORVFRPC-FTJBHMTQSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000260895248 570162315 /nfs/dbraw/zinc/16/23/15/570162315.db2.gz JKOGUROGWFKOSI-QGZVFWFLSA-N 1 1 496.029 2.652 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2nc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n3ccccc23)CC1 ZINC000306135456 570178347 /nfs/dbraw/zinc/17/83/47/570178347.db2.gz ORHCMLYBPHMIRF-HSZRJFAPSA-N 1 1 488.636 2.721 40 0 JFABMO CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408578637 570206330 /nfs/dbraw/zinc/20/63/30/570206330.db2.gz LESVQOKPCHZZDN-HXUWFJFHSA-N 1 1 494.592 2.529 40 0 JFABMO CCc1nn(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)c(=O)c2cc3c(cccc3OC)n21 ZINC000020862806 195233969 /nfs/dbraw/zinc/23/39/69/195233969.db2.gz BPMOGSRUORMQRD-UHFFFAOYSA-N 1 1 473.577 2.785 40 0 JFABMO CC(C)(C)OC(=O)C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CC[N@H+]1CCC[C@H]1C(N)=O ZINC000020462807 518797692 /nfs/dbraw/zinc/79/76/92/518797692.db2.gz YESDNQJNAFCNFN-WDSOQIARSA-N 1 1 479.021 2.885 40 0 biogenic,in-vitro JFABMO CCOC(=O)Cn1nc2oc(=O)c(CC[NH+]3CCN(c4ccccc4OC)CC3)c(C)c2c1C ZINC000005460066 520921359 /nfs/dbraw/zinc/92/13/59/520921359.db2.gz WWZNEVRKXCRHLH-UHFFFAOYSA-N 1 1 468.554 2.543 40 0 JFABMO CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000016692424 521184908 /nfs/dbraw/zinc/18/49/08/521184908.db2.gz DQRSIGLJAMWUBU-UHFFFAOYSA-N 1 1 466.003 2.704 40 0 JFABMO CCOc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)C1=O ZINC000018088196 521514894 /nfs/dbraw/zinc/51/48/94/521514894.db2.gz MSTDQYQZGXEQQZ-KRWDZBQOSA-N 1 1 452.540 2.769 40 0 JFABMO CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CC[NH+](CCN2CCOCC2)CC1 ZINC000022797713 523712799 /nfs/dbraw/zinc/71/27/99/523712799.db2.gz NCMYNTLEKUREPY-UHFFFAOYSA-N 1 1 494.640 2.739 40 0 JFABMO CN1C(=O)[C@]23C[C@@H]4C(C)(C)[C@@]5(C[C@@]41C[N@H+]2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000014637262 523728111 /nfs/dbraw/zinc/72/81/11/523728111.db2.gz UVZZDDLIOJPDKX-ZFXPIMNVSA-N 1 1 493.604 2.796 40 0 biogenic,in-vitro JFABMO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)cc1Cl ZINC000020039695 524361671 /nfs/dbraw/zinc/36/16/71/524361671.db2.gz TZOYSBZZFHUZQL-UHFFFAOYSA-N 1 1 462.959 2.925 40 0 JFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)C1 ZINC000020495501 525383375 /nfs/dbraw/zinc/38/33/75/525383375.db2.gz VVQLZHUIJDKLQZ-KDURUIRLSA-N 1 1 453.624 2.852 40 0 JFABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1C ZINC000019823500 526229328 /nfs/dbraw/zinc/22/93/28/526229328.db2.gz AIXSJNQFLOJKQJ-QFIPXVFZSA-N 1 1 472.655 2.723 40 0 JFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000044839829 527384538 /nfs/dbraw/zinc/38/45/38/527384538.db2.gz NBHXHYTWFWBOBO-UHFFFAOYSA-N 1 1 455.584 2.727 40 0 JFABMO OC[C@@H]1O[C@H](C[NH+](Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@@H](N2CCOCC2)[C@@H]1O ZINC000020464668 527599412 /nfs/dbraw/zinc/59/94/12/527599412.db2.gz HWXRRDSFYHWXRZ-UEQSERJNSA-N 1 1 481.420 2.817 40 0 biogenic,in-vitro JFABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000000879713 553816133 /nfs/dbraw/zinc/81/61/33/553816133.db2.gz DJIVLVPWARCQMW-UHFFFAOYSA-N 1 1 470.595 2.729 40 0 JFABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccc(F)cc5)c43)C2)CC1 ZINC000008300411 554565920 /nfs/dbraw/zinc/56/59/20/554565920.db2.gz KGBXPUZQVHVTND-PKOBYXMFSA-N 1 1 452.530 2.670 40 0 biogenic,in-vitro JFABMO CC[C@@H](C)NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020081370 555630285 /nfs/dbraw/zinc/63/02/85/555630285.db2.gz YJMTWGGUEVOQNY-QGZVFWFLSA-N 1 1 476.643 2.743 40 0 JFABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000020082384 555630886 /nfs/dbraw/zinc/63/08/86/555630886.db2.gz VTVZYZKXLPNBMT-RCZVLFRGSA-N 1 1 469.593 2.995 40 0 JFABMO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C(=O)N1CCCCC1 ZINC000010544084 555726107 /nfs/dbraw/zinc/72/61/07/555726107.db2.gz XZQJHWAMDKCWIR-KDURUIRLSA-N 1 1 451.633 2.968 40 0 JFABMO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000022931207 555984215 /nfs/dbraw/zinc/98/42/15/555984215.db2.gz XDGPPXZYGBSQLB-NRFANRHFSA-N 1 1 470.639 2.864 40 0 JFABMO CN(c1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022934655 555986945 /nfs/dbraw/zinc/98/69/45/555986945.db2.gz NVEBBBJUTSRFGD-UHFFFAOYSA-N 1 1 465.019 2.532 40 0 JFABMO CCOc1ccc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)OC(C)(C)OC2=O)cc1 ZINC000015970164 556095978 /nfs/dbraw/zinc/09/59/78/556095978.db2.gz HJBLCSRMJUOKDC-UXHICEINSA-N 1 1 480.561 2.731 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000018217493 556311917 /nfs/dbraw/zinc/31/19/17/556311917.db2.gz XDMGPTAMYBOAOF-UHFFFAOYSA-N 1 1 478.014 2.887 40 0 JFABMO CCN1CCN(C(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)N3CC[NH+](CC)CC3)c2)CC1 ZINC000019075297 556327841 /nfs/dbraw/zinc/32/78/41/556327841.db2.gz DJGKKJWFQIWCRK-UHFFFAOYSA-N 1 1 472.678 2.851 40 0 JFABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)C1CC1 ZINC000019823175 556393055 /nfs/dbraw/zinc/39/30/55/556393055.db2.gz NNGZJPDDONYZHN-UHFFFAOYSA-N 1 1 450.605 2.841 40 0 JFABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000019824541 556395710 /nfs/dbraw/zinc/39/57/10/556395710.db2.gz ZVQIPXZJPPZWPL-JOCHJYFZSA-N 1 1 488.654 2.505 40 0 JFABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824567 556395724 /nfs/dbraw/zinc/39/57/24/556395724.db2.gz SRQXZRIZOVSSHW-QFIPXVFZSA-N 1 1 488.654 2.505 40 0 JFABMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000033787072 569635053 /nfs/dbraw/zinc/63/50/53/569635053.db2.gz NPAYUIISMDEQGJ-LPSTTYAQSA-N 1 1 455.873 2.919 40 0 JFABMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000033787072 569635055 /nfs/dbraw/zinc/63/50/55/569635055.db2.gz NPAYUIISMDEQGJ-LPSTTYAQSA-N 1 1 455.873 2.919 40 0 JFABMO CCCCN1C(=O)[C@@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000035808839 569712205 /nfs/dbraw/zinc/71/22/05/569712205.db2.gz FCCFRZPQNNQUST-JKNYOYKWSA-N 1 1 453.926 2.594 40 0 JFABMO C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000036317540 569763375 /nfs/dbraw/zinc/76/33/75/569763375.db2.gz JHMRTGXGAYAZTL-IBGZPJMESA-N 1 1 469.673 2.889 40 0 JFABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344522 569793800 /nfs/dbraw/zinc/79/38/00/569793800.db2.gz ZSSMDIFBPOICDY-LZISPXOZSA-N 1 1 479.920 2.851 40 0 JFABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344522 569793802 /nfs/dbraw/zinc/79/38/02/569793802.db2.gz ZSSMDIFBPOICDY-LZISPXOZSA-N 1 1 479.920 2.851 40 0 JFABMO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103519473 569835692 /nfs/dbraw/zinc/83/56/92/569835692.db2.gz ZAXCYTAEYWYOIT-REMZYBCOSA-N 1 1 493.585 2.997 40 0 JFABMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224556203 569948276 /nfs/dbraw/zinc/94/82/76/569948276.db2.gz HXLCJSHLPUPPQH-QGZVFWFLSA-N 1 1 466.003 2.643 40 0 JFABMO Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000224556007 569948288 /nfs/dbraw/zinc/94/82/88/569948288.db2.gz PLBPJPRCXAJGRD-FQEVSTJZSA-N 1 1 459.612 2.607 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000224570839 569949011 /nfs/dbraw/zinc/94/90/11/569949011.db2.gz NWVRHYYHTCXEAO-SANMLTNESA-N 1 1 499.677 2.810 40 0 JFABMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224579362 569949367 /nfs/dbraw/zinc/94/93/67/569949367.db2.gz YBEMZMUVNPZGGR-HSZRJFAPSA-N 1 1 473.639 2.997 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)ccc1Cl ZINC000224718872 569954630 /nfs/dbraw/zinc/95/46/30/569954630.db2.gz KBYNRBZMVIASIT-UHFFFAOYSA-N 1 1 486.421 2.908 40 0 JFABMO Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224721745 569954712 /nfs/dbraw/zinc/95/47/12/569954712.db2.gz YRPSFXPVHRHTIK-FQEVSTJZSA-N 1 1 459.612 2.607 40 0 JFABMO C[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224721861 569954746 /nfs/dbraw/zinc/95/47/46/569954746.db2.gz JXIPAFZPKQBTSN-QGZVFWFLSA-N 1 1 466.003 2.643 40 0 JFABMO CC(C)(C)c1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224726461 569954886 /nfs/dbraw/zinc/95/48/86/569954886.db2.gz HJKBJIBQZDLCBP-UHFFFAOYSA-N 1 1 473.639 2.899 40 0 JFABMO Cc1cccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224742091 569955659 /nfs/dbraw/zinc/95/56/59/569955659.db2.gz CCSHCZWCSJODKB-UHFFFAOYSA-N 1 1 459.612 2.690 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000224743053 569955666 /nfs/dbraw/zinc/95/56/66/569955666.db2.gz DQDJFPIVPYQYIL-JOCHJYFZSA-N 1 1 478.014 2.642 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000224756413 569956220 /nfs/dbraw/zinc/95/62/20/569956220.db2.gz GYTIYKQQSDIAMP-NRFANRHFSA-N 1 1 492.041 2.889 40 0 JFABMO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000224801006 569958152 /nfs/dbraw/zinc/95/81/52/569958152.db2.gz ASKPCXOAJPBFAJ-HSZRJFAPSA-N 1 1 459.612 2.804 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccccc2Cl)cc1 ZINC000408615481 569974791 /nfs/dbraw/zinc/97/47/91/569974791.db2.gz ATNMJYMGSNUTTQ-UHFFFAOYSA-N 1 1 466.003 2.682 40 0 JFABMO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000408622969 569979114 /nfs/dbraw/zinc/97/91/14/569979114.db2.gz OKOORTBUCLYORD-QGZVFWFLSA-N 1 1 466.003 2.750 40 0 JFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000225499284 570000217 /nfs/dbraw/zinc/00/02/17/570000217.db2.gz BSBHCMGYLVLONP-FQEVSTJZSA-N 1 1 451.633 2.867 40 0 JFABMO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000225672393 570013813 /nfs/dbraw/zinc/01/38/13/570013813.db2.gz VQQHKFBEDLYCCW-UHFFFAOYSA-N 1 1 456.568 2.689 40 0 JFABMO COc1ccc(CCN2C[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1OC ZINC000253398357 570096259 /nfs/dbraw/zinc/09/62/59/570096259.db2.gz CBTONCXVHJOHKF-FDFHNCONSA-N 1 1 457.615 2.818 40 0 JFABMO Cn1c2ccc(NC(=O)CN3CC[N@@H+](C)C[C@@H](Cc4cccc5cccnc54)C3)cc2oc1=O ZINC000257200161 570107701 /nfs/dbraw/zinc/10/77/01/570107701.db2.gz ACFRVLLTFOKXCP-GOSISDBHSA-N 1 1 459.550 2.725 40 0 JFABMO COc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@]3(NC(C)=O)CN(C(C)=O)[C@H](c4ccccc4)[C@H]3C2)c1 ZINC000257203715 570108901 /nfs/dbraw/zinc/10/89/01/570108901.db2.gz ARIKFTXGGUGPBQ-XSBVVTFOSA-N 1 1 478.593 2.742 40 0 JFABMO COc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@]3(NC(C)=O)CN(C(C)=O)[C@H](c4ccccc4)[C@H]3C2)c1 ZINC000257203715 570108903 /nfs/dbraw/zinc/10/89/03/570108903.db2.gz ARIKFTXGGUGPBQ-XSBVVTFOSA-N 1 1 478.593 2.742 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@H](OCc4ccccc4)C3)cc2oc1=O ZINC000257205833 570109538 /nfs/dbraw/zinc/10/95/38/570109538.db2.gz BATUMDGAGIWCJF-RDGATRHJSA-N 1 1 451.523 2.910 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@H](OCc4ccccc4)C3)cc2oc1=O ZINC000257205833 570109540 /nfs/dbraw/zinc/10/95/40/570109540.db2.gz BATUMDGAGIWCJF-RDGATRHJSA-N 1 1 451.523 2.910 40 0 JFABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)CN3CCOCC3)c2)n1 ZINC000257235169 570118756 /nfs/dbraw/zinc/11/87/56/570118756.db2.gz GWTATVMDUVCNAM-QHCPKHFHSA-N 1 1 474.565 2.824 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@@H]3CCN(C(=O)C4CCCC4)C3)n2)n[nH]1 ZINC000257236948 570119216 /nfs/dbraw/zinc/11/92/16/570119216.db2.gz HEMZIIONDJOMGS-SFHVURJKSA-N 1 1 452.607 2.585 40 0 JFABMO CCc1nc(C)c(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)[nH]1 ZINC000257245164 570121655 /nfs/dbraw/zinc/12/16/55/570121655.db2.gz IOHYNHJBGUHHPC-RUZDIDTESA-N 1 1 490.048 2.748 40 0 JFABMO COc1ccc(NC(C)=O)cc1CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](Cc3ccnc(C)n3)CC[C@@H]2C1 ZINC000257260428 570126605 /nfs/dbraw/zinc/12/66/05/570126605.db2.gz LCUJUSSKDKLUMT-DNVFCKCGSA-N 1 1 451.571 2.569 40 0 JFABMO CC(=O)N[C@]12CN(C(=O)C(C)(C)NC(=O)c3ccccc3)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257274030 570130775 /nfs/dbraw/zinc/13/07/75/570130775.db2.gz NJGCBCJCFIAOFS-AZSVPQILSA-N 1 1 462.594 2.605 40 0 JFABMO Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257274462 570131009 /nfs/dbraw/zinc/13/10/09/570131009.db2.gz NLDQYOMVBZLHDI-RDPSFJRHSA-N 1 1 486.588 2.823 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)COc3ccccc3F)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257280064 570132735 /nfs/dbraw/zinc/13/27/35/570132735.db2.gz OJHGQSOHFNNLSK-CVDCTZTESA-N 1 1 487.547 2.804 40 0 JFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2cccc(C[NH2+]Cc3cnc(OC)nc3)c2)cc1 ZINC000257281196 570133049 /nfs/dbraw/zinc/13/30/49/570133049.db2.gz OOBWVFAUAQIALA-CLJLJLNGSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2cccc(CNCc3cnc(OC)nc3)c2)cc1 ZINC000257281196 570133051 /nfs/dbraw/zinc/13/30/51/570133051.db2.gz OOBWVFAUAQIALA-CLJLJLNGSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNCc3cnc(OC)nc3)c2)cc1 ZINC000257281196 570133053 /nfs/dbraw/zinc/13/30/53/570133053.db2.gz OOBWVFAUAQIALA-CLJLJLNGSA-N 1 1 489.620 2.788 40 0 JFABMO CCCCC(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257281818 570133277 /nfs/dbraw/zinc/13/32/77/570133277.db2.gz ORDKETYCRCONCR-QHCPKHFHSA-N 1 1 451.995 2.671 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3ccc(F)cn3)CCO2)CC1 ZINC000257297867 570137747 /nfs/dbraw/zinc/13/77/47/570137747.db2.gz RJCMOBUGDGODGQ-XMMPIXPASA-N 1 1 476.980 2.688 40 0 JFABMO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000257310135 570141457 /nfs/dbraw/zinc/14/14/57/570141457.db2.gz UDUQSHXRIXVRQU-LUKWVAJMSA-N 1 1 454.571 2.678 40 0 JFABMO O=C(COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)cc1)N1CCOCC1 ZINC000257313719 570142546 /nfs/dbraw/zinc/14/25/46/570142546.db2.gz UTULLFUEGVUYNQ-SANMLTNESA-N 1 1 472.557 2.859 40 0 JFABMO 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O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408582308 570206942 /nfs/dbraw/zinc/20/69/42/570206942.db2.gz WJTBIHFCZIQTAN-GOSISDBHSA-N 1 1 484.984 2.784 40 0 JFABMO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020083393 522154370 /nfs/dbraw/zinc/15/43/70/522154370.db2.gz BMRNYMPMYYVDTG-RUZDIDTESA-N 1 1 487.608 2.685 40 0 JFABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C(=O)N1CCCC1 ZINC000044899937 525068303 /nfs/dbraw/zinc/06/83/03/525068303.db2.gz CYOVFMWGFFAXBP-UHFFFAOYSA-N 1 1 454.552 2.904 40 0 JFABMO COc1cccc(-c2csc(N3CCN(C(=S)NCCC[NH+]4CCOCC4)CC3)n2)c1 ZINC000026416619 525718993 /nfs/dbraw/zinc/71/89/93/525718993.db2.gz LYOXITGDZXIETK-UHFFFAOYSA-N 1 1 461.657 2.538 40 0 JFABMO COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NN3CC[NH+](C)CC3)n2)cc1 ZINC000008964362 554838232 /nfs/dbraw/zinc/83/82/32/554838232.db2.gz JYWHUEHICAMBLD-UHFFFAOYSA-N 1 1 455.506 2.932 40 0 JFABMO 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40 0 JFABMO COC(=O)C1=C(C[N@H+](C)CCc2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013565851 555502845 /nfs/dbraw/zinc/50/28/45/555502845.db2.gz BVUZFQKHDXZHMI-HSZRJFAPSA-N 1 1 469.538 2.668 40 0 JFABMO COC(=O)C1=C(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013565851 555502846 /nfs/dbraw/zinc/50/28/46/555502846.db2.gz BVUZFQKHDXZHMI-HSZRJFAPSA-N 1 1 469.538 2.668 40 0 JFABMO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000013580814 555519156 /nfs/dbraw/zinc/51/91/56/555519156.db2.gz YCSKFVQAFHGKAY-FQEVSTJZSA-N 1 1 475.586 2.579 40 0 JFABMO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019935410 555552530 /nfs/dbraw/zinc/55/25/30/555552530.db2.gz OHYXTLLTNVXRPM-UHFFFAOYSA-N 1 1 478.014 2.848 40 0 JFABMO Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940609 555559151 /nfs/dbraw/zinc/55/91/51/555559151.db2.gz YXEVKCONWVZBMD-BVAGGSTKSA-N 1 1 499.619 2.909 40 0 JFABMO CCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000019941025 555559821 /nfs/dbraw/zinc/55/98/21/555559821.db2.gz SOIIPMUJBUACEL-UHFFFAOYSA-N 1 1 476.643 2.744 40 0 JFABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)c(C)c3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000019941506 555560683 /nfs/dbraw/zinc/56/06/83/555560683.db2.gz OXHYMFFEQJDPHH-XMMPIXPASA-N 1 1 473.581 2.525 40 0 JFABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000020109217 555644974 /nfs/dbraw/zinc/64/49/74/555644974.db2.gz TYYYTOWWDJMZPS-UHFFFAOYSA-N 1 1 464.566 2.971 40 0 JFABMO CC[NH+]1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000014135591 555703772 /nfs/dbraw/zinc/70/37/72/555703772.db2.gz NUTGRVFHXFUDAL-UHFFFAOYSA-N 1 1 494.455 2.847 40 0 JFABMO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000015344525 555899690 /nfs/dbraw/zinc/89/96/90/555899690.db2.gz LGLPGUPXQKQLIK-UHFFFAOYSA-N 1 1 479.602 2.907 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cc(Cl)ccc2C)cc1 ZINC000022829551 555955754 /nfs/dbraw/zinc/95/57/54/555955754.db2.gz CDEDNXXDFHBQFM-UHFFFAOYSA-N 1 1 493.073 2.906 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cccc(Cl)c2)cc1 ZINC000022829518 555955941 /nfs/dbraw/zinc/95/59/41/555955941.db2.gz AAMUXUIYRUZUOS-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO CCC[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(I)cc3)o2)CC1 ZINC000022873746 555962922 /nfs/dbraw/zinc/96/29/22/555962922.db2.gz VWHXOAIWTWBDHE-UHFFFAOYSA-N 1 1 472.352 2.988 40 0 JFABMO CN1CC[NH+](CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000022935124 555987724 /nfs/dbraw/zinc/98/77/24/555987724.db2.gz HVCDLSNFZHGRKQ-UHFFFAOYSA-N 1 1 498.571 2.654 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022934960 555987859 /nfs/dbraw/zinc/98/78/59/555987859.db2.gz BVBLWBKENSYGAN-UHFFFAOYSA-N 1 1 479.046 2.674 40 0 JFABMO Cc1cccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022935000 555987875 /nfs/dbraw/zinc/98/78/75/555987875.db2.gz PXFHXRSDQLJXBL-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO CCOc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000025767200 556233239 /nfs/dbraw/zinc/23/32/39/556233239.db2.gz HUKUXMNERCLKDT-UHFFFAOYSA-N 1 1 475.611 2.762 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000029837967 556358672 /nfs/dbraw/zinc/35/86/72/556358672.db2.gz QYURHRPYMCPMFQ-UHFFFAOYSA-N 1 1 471.623 2.661 40 0 JFABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000019823004 556392826 /nfs/dbraw/zinc/39/28/26/556392826.db2.gz GNPXSNPTZPBESD-QFIPXVFZSA-N 1 1 472.655 2.668 40 0 JFABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc12 ZINC000019824182 556395066 /nfs/dbraw/zinc/39/50/66/556395066.db2.gz FIOPDOQCSNSZEN-NRFANRHFSA-N 1 1 472.655 2.723 40 0 JFABMO Cc1cc2cc(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1C ZINC000019824384 556395403 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COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)Cc2ccncc2)cc1 ZINC000257324509 570145849 /nfs/dbraw/zinc/14/58/49/570145849.db2.gz WPAQUDZZGXZGSK-KAHCWPQKSA-N 1 1 479.552 2.969 40 0 JFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000260761074 570156885 /nfs/dbraw/zinc/15/68/85/570156885.db2.gz FBXUQTFQOSMUBE-IBGZPJMESA-N 1 1 467.632 2.775 40 0 JFABMO COc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000260888144 570161713 /nfs/dbraw/zinc/16/17/13/570161713.db2.gz IDWKRICXOVVMRV-QGZVFWFLSA-N 1 1 496.029 2.652 40 0 JFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000408561848 570201360 /nfs/dbraw/zinc/20/13/60/570201360.db2.gz VZYLBWVJOPGHLL-UHFFFAOYSA-N 1 1 482.400 2.793 40 0 JFABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000408576323 570205892 /nfs/dbraw/zinc/20/58/92/570205892.db2.gz GLFWWWMVBQFDPG-SFHVURJKSA-N 1 1 484.984 2.784 40 0 JFABMO COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020083119 522154940 /nfs/dbraw/zinc/15/49/40/522154940.db2.gz PYWIICDWHCHPFB-RUZDIDTESA-N 1 1 487.608 2.685 40 0 JFABMO CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41C[N@H+]2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000014637263 523728535 /nfs/dbraw/zinc/72/85/35/523728535.db2.gz UVZZDDLIOJPDKX-ITKQZBBDSA-N 1 1 493.604 2.796 40 0 biogenic,in-vitro JFABMO C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccc(S(C)(=O)=O)cc4)n3)cn2)CC1 ZINC000049155162 523924384 /nfs/dbraw/zinc/92/43/84/523924384.db2.gz AGIKYIZIBSLBGP-NRFANRHFSA-N 1 1 482.610 2.624 40 0 biogenic,in-vitro JFABMO COc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000044882265 524633315 /nfs/dbraw/zinc/63/33/15/524633315.db2.gz FTAPKZAHHFZELO-UHFFFAOYSA-N 1 1 470.551 2.522 40 0 JFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000022512651 527370286 /nfs/dbraw/zinc/37/02/86/527370286.db2.gz AFDSLMHLOIQMSR-UHFFFAOYSA-N 1 1 470.551 2.772 40 0 JFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044932861 527372386 /nfs/dbraw/zinc/37/23/86/527372386.db2.gz USCFMDOYKIDZHR-HXUWFJFHSA-N 1 1 460.943 2.678 40 0 JFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000044919615 527449934 /nfs/dbraw/zinc/44/99/34/527449934.db2.gz ZVYWUJQCKANTHU-UHFFFAOYSA-N 1 1 467.595 2.737 40 0 JFABMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002139633 554063543 /nfs/dbraw/zinc/06/35/43/554063543.db2.gz PSMKLWAWNWTCCN-ZACQAIPSSA-N 1 1 478.549 2.961 40 0 JFABMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002139633 554063547 /nfs/dbraw/zinc/06/35/47/554063547.db2.gz PSMKLWAWNWTCCN-ZACQAIPSSA-N 1 1 478.549 2.961 40 0 JFABMO Cc1ccccc1Cn1c(N2CC[NH+](C/C=C\c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009290819 555065152 /nfs/dbraw/zinc/06/51/52/555065152.db2.gz TXWHQBSVRGRFOT-WQLSENKSSA-N 1 1 470.577 2.615 40 0 JFABMO Cn1c2nc(N3CC[NH+](C/C=C\c4ccccc4)CC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000009291358 555065721 /nfs/dbraw/zinc/06/57/21/555065721.db2.gz MIFSPWGNHLZRNO-ZSOIEALJSA-N 1 1 484.604 2.892 40 0 JFABMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2Cl)cc1 ZINC000019932410 555549711 /nfs/dbraw/zinc/54/97/11/555549711.db2.gz KILASCVHZLQRLC-UHFFFAOYSA-N 1 1 465.019 2.817 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NCCC[NH+]1CCOCC1)OCO3 ZINC000019940456 555558499 /nfs/dbraw/zinc/55/84/99/555558499.db2.gz ULZYOGUHOBBUJZ-UHFFFAOYSA-N 1 1 494.617 2.856 40 0 JFABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000014135566 555703544 /nfs/dbraw/zinc/70/35/44/555703544.db2.gz LXTPTVOHQNIREO-UHFFFAOYSA-N 1 1 480.428 2.804 40 0 JFABMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246409 555896362 /nfs/dbraw/zinc/89/63/62/555896362.db2.gz HSDHEJMVWGOEKP-SFHVURJKSA-N 1 1 456.395 2.657 40 0 JFABMO CCN(c1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000022829942 555956326 /nfs/dbraw/zinc/95/63/26/555956326.db2.gz DRAQTNXYLFDLPR-UHFFFAOYSA-N 1 1 490.695 2.991 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(C)cc2C)cc1 ZINC000022933742 555986325 /nfs/dbraw/zinc/98/63/25/555986325.db2.gz UBDLWLSYGWDPKT-UHFFFAOYSA-N 1 1 472.655 2.561 40 0 JFABMO CN1CC[NH+](CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000022935032 555987962 /nfs/dbraw/zinc/98/79/62/555987962.db2.gz SIALBODHNDNTPT-UHFFFAOYSA-N 1 1 499.464 2.942 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1C ZINC000019727701 556362671 /nfs/dbraw/zinc/36/26/71/556362671.db2.gz HBAOWBYENOKIRZ-QFIPXVFZSA-N 1 1 471.623 2.749 40 0 JFABMO Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019823286 556393342 /nfs/dbraw/zinc/39/33/42/556393342.db2.gz ZWJQQNADYLDTKO-JOCHJYFZSA-N 1 1 472.655 2.723 40 0 JFABMO O=C([C@@H]1CSC[NH2+]1)N1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@H]2C1 ZINC000067902338 560049625 /nfs/dbraw/zinc/04/96/25/560049625.db2.gz MEOQFMGKQIYVJD-RBUKOAKNSA-N 1 1 490.507 2.640 40 0 biogenic,in-vitro JFABMO O=S(=O)(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000036312381 563125666 /nfs/dbraw/zinc/12/56/66/563125666.db2.gz BBUAEVAMJJCQHV-UHFFFAOYSA-N 1 1 469.673 2.890 40 0 JFABMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000035843151 569714180 /nfs/dbraw/zinc/71/41/80/569714180.db2.gz VHIYIIXDRDRSKP-MTXNFPGFSA-N 1 1 465.893 2.697 40 0 JFABMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000035843151 569714181 /nfs/dbraw/zinc/71/41/81/569714181.db2.gz VHIYIIXDRDRSKP-MTXNFPGFSA-N 1 1 465.893 2.697 40 0 JFABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000224033214 569931294 /nfs/dbraw/zinc/93/12/94/569931294.db2.gz SZDHHALNUWMDAD-UHFFFAOYSA-N 1 1 454.537 2.763 40 0 JFABMO Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224549429 569948026 /nfs/dbraw/zinc/94/80/26/569948026.db2.gz BZMJBFBEHAWWNE-UHFFFAOYSA-N 1 1 466.003 2.563 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000224553353 569948158 /nfs/dbraw/zinc/94/81/58/569948158.db2.gz VULPEJNRZKVTMM-UHFFFAOYSA-N 1 1 486.421 2.908 40 0 JFABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC000224558336 569948415 /nfs/dbraw/zinc/94/84/15/569948415.db2.gz PWMFVQADOMWUSX-UHFFFAOYSA-N 1 1 455.374 2.768 40 0 JFABMO Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224560619 569948439 /nfs/dbraw/zinc/94/84/39/569948439.db2.gz HKQUTUBNDHTWNG-FQEVSTJZSA-N 1 1 459.612 2.607 40 0 JFABMO Cc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224575583 569949147 /nfs/dbraw/zinc/94/91/47/569949147.db2.gz SIRVOLIDOQJIBY-UHFFFAOYSA-N 1 1 459.612 2.690 40 0 JFABMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224579607 569949376 /nfs/dbraw/zinc/94/93/76/569949376.db2.gz BACRXCHXVMWAEB-OAQYLSRUSA-N 1 1 463.575 2.519 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000224721229 569954700 /nfs/dbraw/zinc/95/47/00/569954700.db2.gz UWVQPTOAVQKVFK-UHFFFAOYSA-N 1 1 486.421 2.908 40 0 JFABMO CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)c2)CC1 ZINC000224744010 569955752 /nfs/dbraw/zinc/95/57/52/569955752.db2.gz QPHWLPBYJNZMFH-UHFFFAOYSA-N 1 1 471.623 2.869 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000224756364 569956222 /nfs/dbraw/zinc/95/62/22/569956222.db2.gz GYTIYKQQSDIAMP-OAQYLSRUSA-N 1 1 492.041 2.889 40 0 JFABMO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000408622552 569978860 /nfs/dbraw/zinc/97/88/60/569978860.db2.gz RARZABSRZNUXCY-UHFFFAOYSA-N 1 1 458.024 2.502 40 0 JFABMO Cc1ccc(CN(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408624275 569979556 /nfs/dbraw/zinc/97/95/56/569979556.db2.gz VHQXBXJOFIEADZ-UHFFFAOYSA-N 1 1 480.030 2.678 40 0 JFABMO Cc1cccc(CN(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408625167 569980087 /nfs/dbraw/zinc/98/00/87/569980087.db2.gz XCZUNWNIKJZHSJ-UHFFFAOYSA-N 1 1 480.030 2.678 40 0 JFABMO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1OC ZINC000252550868 570083356 /nfs/dbraw/zinc/08/33/56/570083356.db2.gz SZJRKITVRBMKNW-HKBOAZHASA-N 1 1 486.613 2.532 40 0 JFABMO CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCOCC1)CC2=O ZINC000253395104 570095945 /nfs/dbraw/zinc/09/59/45/570095945.db2.gz BPJVKGOCCRMJIF-BQNLEMKZSA-N 1 1 469.626 2.996 40 0 JFABMO CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@@H+](C2CCC2)CC3=O)CC1 ZINC000253398365 570096212 /nfs/dbraw/zinc/09/62/12/570096212.db2.gz HCUDAUURGAJLBF-PXPXVXOKSA-N 1 1 480.653 2.619 40 0 JFABMO CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@H+](C2CCC2)CC3=O)CC1 ZINC000253398365 570096213 /nfs/dbraw/zinc/09/62/13/570096213.db2.gz HCUDAUURGAJLBF-PXPXVXOKSA-N 1 1 480.653 2.619 40 0 JFABMO Cn1c2ccc(NC(=O)CN3CC[N@@H+](C)C[C@H](Cc4cccc5cccnc54)C3)cc2oc1=O ZINC000257200162 570107705 /nfs/dbraw/zinc/10/77/05/570107705.db2.gz ACFRVLLTFOKXCP-SFHVURJKSA-N 1 1 459.550 2.725 40 0 JFABMO Cc1nc(C)c(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000257206894 570110027 /nfs/dbraw/zinc/11/00/27/570110027.db2.gz BFJBWZPZYGGFJU-RXVVDRJESA-N 1 1 474.602 2.973 40 0 JFABMO CCn1nc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cc1C ZINC000257208069 570110286 /nfs/dbraw/zinc/11/02/86/570110286.db2.gz BKPFYKSAALVEAX-CVDCTZTESA-N 1 1 488.032 2.939 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CCCc3cn[nH]c3)CC[C@@H]2Oc2cccc(Cl)c2)CC1 ZINC000257212474 570111696 /nfs/dbraw/zinc/11/16/96/570111696.db2.gz CDOTVFYLCLWPQR-REWPJTCUSA-N 1 1 488.032 2.846 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)COc3cccc(F)c3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257224025 570115286 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/nfs/dbraw/zinc/12/97/32/570129732.db2.gz MVAFIXJAUROBKT-MHZLTWQESA-N 1 1 478.593 2.745 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccccc3F)C2)CC1 ZINC000257273365 570130617 /nfs/dbraw/zinc/13/06/17/570130617.db2.gz NGFXTWGSVNSSNL-VWLOTQADSA-N 1 1 489.613 2.840 40 0 JFABMO Cc1ncsc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257273708 570130778 /nfs/dbraw/zinc/13/07/78/570130778.db2.gz NHVBPEWIUXVLMG-PXNSSMCTSA-N 1 1 460.575 2.664 40 0 JFABMO CCCc1ccc(OCc2ccccc2)c(C[N@@H+](C)[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)c1 ZINC000257277841 570131989 /nfs/dbraw/zinc/13/19/89/570131989.db2.gz NZSPDDJPKCUTTH-FKCDAAJZSA-N 1 1 451.611 2.974 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2cccc(C[NH2+]Cc3cnc(OC)nc3)c2)cc1 ZINC000257281199 570132946 /nfs/dbraw/zinc/13/29/46/570132946.db2.gz OOBWVFAUAQIALA-UIOOFZCWSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2cccc(CNCc3cnc(OC)nc3)c2)cc1 ZINC000257281199 570132947 /nfs/dbraw/zinc/13/29/47/570132947.db2.gz OOBWVFAUAQIALA-UIOOFZCWSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2cccc(CNCc3cnc(OC)nc3)c2)cc1 ZINC000257281199 570132948 /nfs/dbraw/zinc/13/29/48/570132948.db2.gz OOBWVFAUAQIALA-UIOOFZCWSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(C)cc1NC(=O)CN1CC[C@@H]2[C@@H](c3ccccc3)[N@@H+](C)C[C@]2(NC(C)=O)C1 ZINC000257288790 570135116 /nfs/dbraw/zinc/13/51/16/570135116.db2.gz PVRZDBDZBWKXIC-QGDZQMKYSA-N 1 1 450.583 2.826 40 0 JFABMO COc1cc(C[N@@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCCO ZINC000257289011 570135333 /nfs/dbraw/zinc/13/53/33/570135333.db2.gz PWQBUDUPLONQAC-MRXNPFEDSA-N 1 1 453.461 2.928 40 0 JFABMO COc1ccccc1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257299668 570138364 /nfs/dbraw/zinc/13/83/64/570138364.db2.gz RRAFTHJNQCSTOF-DHLKQENFSA-N 1 1 465.594 2.698 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)C3CCOCC3)CC2)CC1 ZINC000257302247 570138997 /nfs/dbraw/zinc/13/89/97/570138997.db2.gz SCCMIIVMNJXQEC-UHFFFAOYSA-N 1 1 478.033 2.918 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)C3CCOCC3)C2)CC1 ZINC000257314321 570142804 /nfs/dbraw/zinc/14/28/04/570142804.db2.gz UWKHZNLDRQZZPN-RUZDIDTESA-N 1 1 478.033 2.918 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)C3CCOCC3)C2)CC1 ZINC000257314322 570142828 /nfs/dbraw/zinc/14/28/28/570142828.db2.gz UWKHZNLDRQZZPN-VWLOTQADSA-N 1 1 478.033 2.918 40 0 JFABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2cc(C)on2)cc1 ZINC000257326342 570146420 /nfs/dbraw/zinc/14/64/20/570146420.db2.gz WWWBRFBQASUIGU-AZOUXBGGSA-N 1 1 469.513 2.942 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)n[nH]1 ZINC000257339368 570150284 /nfs/dbraw/zinc/15/02/84/570150284.db2.gz ZBJRUVOBYUBROU-KRWDZBQOSA-N 1 1 456.595 2.803 40 0 JFABMO CCn1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257343904 570151528 /nfs/dbraw/zinc/15/15/28/570151528.db2.gz ZUVKCNDQNQCLIV-CVDCTZTESA-N 1 1 488.032 2.939 40 0 JFABMO Cc1nn(C)cc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257344334 570151651 /nfs/dbraw/zinc/15/16/51/570151651.db2.gz ZWSYKXXWPPFLSG-VWLOTQADSA-N 1 1 488.032 2.847 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000260902872 570162928 /nfs/dbraw/zinc/16/29/28/570162928.db2.gz XSMCHKRRZHDGDI-QHCPKHFHSA-N 1 1 471.623 2.544 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2nc([C@@H]3CCCN3C(=O)c3ccccc3)n3ccccc23)CC1 ZINC000306128793 570178275 /nfs/dbraw/zinc/17/82/75/570178275.db2.gz HKQTYQRLAXZROF-QHCPKHFHSA-N 1 1 474.609 2.679 40 0 JFABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408579126 570206461 /nfs/dbraw/zinc/20/64/61/570206461.db2.gz MWTHZXJIEJPNEA-GOSISDBHSA-N 1 1 484.984 2.784 40 0 JFABMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(N)=O)[NH2+][C@]12c1cc(Cl)cc(C)c1NC2=O ZINC000015973036 524239779 /nfs/dbraw/zinc/23/97/79/524239779.db2.gz BRWUYCPEJAIJGQ-DZKLMBRESA-N 1 1 477.348 2.950 40 0 JFABMO O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016479809 526965952 /nfs/dbraw/zinc/96/59/52/526965952.db2.gz BIDNAGGUHHCXHZ-UHFFFAOYSA-N 1 1 457.596 2.631 40 0 JFABMO OC[C@@H]1O[C@H](C[NH+](Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@H](N2CCOCC2)[C@@H]1O ZINC000020464671 527599810 /nfs/dbraw/zinc/59/98/10/527599810.db2.gz HWXRRDSFYHWXRZ-NAVOZUGXSA-N 1 1 481.420 2.817 40 0 biogenic,in-vitro JFABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501204 555448132 /nfs/dbraw/zinc/44/81/32/555448132.db2.gz OIVPSJZETCTDFF-LJQANCHMSA-N 1 1 482.541 2.702 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501204 555448135 /nfs/dbraw/zinc/44/81/35/555448135.db2.gz OIVPSJZETCTDFF-LJQANCHMSA-N 1 1 482.541 2.702 40 0 JFABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2cc1OC ZINC000019941020 555559790 /nfs/dbraw/zinc/55/97/90/555559790.db2.gz HZFQKOTUIIARLF-UHFFFAOYSA-N 1 1 476.643 2.600 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 ZINC000022829713 555955829 /nfs/dbraw/zinc/95/58/29/555955829.db2.gz DKRYSNUHKWAKLE-AREMUKBSSA-N 1 1 466.651 2.871 40 0 JFABMO COc1ccc(OC)c([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022929064 555981248 /nfs/dbraw/zinc/98/12/48/555981248.db2.gz QWYXOPHCPNTHRT-DHLKQENFSA-N 1 1 478.597 2.777 40 0 JFABMO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)cc1 ZINC000022934718 555987489 /nfs/dbraw/zinc/98/74/89/555987489.db2.gz FDRYIPOHCVCCFT-UHFFFAOYSA-N 1 1 476.668 2.601 40 0 JFABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022935199 555988165 /nfs/dbraw/zinc/98/81/65/555988165.db2.gz MPELGJSKJLMSOQ-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO O=C(COc1ccc(I)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217181 556311988 /nfs/dbraw/zinc/31/19/88/556311988.db2.gz UKHMLLDTCZUSEK-UHFFFAOYSA-N 1 1 466.319 2.819 40 0 JFABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019220931 556335368 /nfs/dbraw/zinc/33/53/68/556335368.db2.gz NGGZVTMQNDYRRX-QPPBQGQZSA-N 1 1 455.566 2.741 40 0 JFABMO COc1ccc(CCn2nnnc2[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000019589862 556355743 /nfs/dbraw/zinc/35/57/43/556355743.db2.gz SXARXBQACQASGW-JOCHJYFZSA-N 1 1 456.978 2.923 40 0 JFABMO COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(C)(=O)=O ZINC000030859056 556380962 /nfs/dbraw/zinc/38/09/62/556380962.db2.gz MHPHDXQTTCMJNM-UHFFFAOYSA-N 1 1 462.959 2.925 40 0 JFABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCCCOC)cc2c1 ZINC000019823015 556392681 /nfs/dbraw/zinc/39/26/81/556392681.db2.gz UYQBTVSDBMMTEK-UHFFFAOYSA-N 1 1 460.644 2.526 40 0 JFABMO COCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019824354 556395363 /nfs/dbraw/zinc/39/53/63/556395363.db2.gz GJSQZAJRZXTJSJ-UHFFFAOYSA-N 1 1 460.644 2.580 40 0 JFABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000019824538 556395674 /nfs/dbraw/zinc/39/56/74/556395674.db2.gz ZVQIPXZJPPZWPL-QFIPXVFZSA-N 1 1 488.654 2.505 40 0 JFABMO Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019826439 556397007 /nfs/dbraw/zinc/39/70/07/556397007.db2.gz OZUPEJOCVUQPRO-ZEQKJWHPSA-N 1 1 499.619 2.909 40 0 JFABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019826220 556397077 /nfs/dbraw/zinc/39/70/77/556397077.db2.gz BFZUGBLLPBMQDX-OZXSUGGESA-N 1 1 499.619 2.909 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000032399563 556435031 /nfs/dbraw/zinc/43/50/31/556435031.db2.gz LXJGWBTVUZQLBI-UHFFFAOYSA-N 1 1 455.624 2.960 40 0 JFABMO C[N@H+]1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000096536595 560052451 /nfs/dbraw/zinc/05/24/51/560052451.db2.gz FYKOLSQALILQJH-DWLFOUALSA-N 1 1 461.031 2.871 40 0 biogenic,in-vitro JFABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 ZINC000008582479 562939676 /nfs/dbraw/zinc/93/96/76/562939676.db2.gz SWBVZEZOKMCZLC-UHFFFAOYSA-N 1 1 495.628 2.753 40 0 JFABMO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)c(Cl)c1)c1ccccc1 ZINC000033386126 569625535 /nfs/dbraw/zinc/62/55/35/569625535.db2.gz LOGGSZJUYIMJKZ-MRXNPFEDSA-N 1 1 451.976 2.532 40 0 JFABMO O=C(CN1C(=O)COc2ccccc21)N(CCC[NH+]1CCOCC1)Cc1ccccc1Cl ZINC000035313830 569680391 /nfs/dbraw/zinc/68/03/91/569680391.db2.gz IQKCACOJRIAJAW-UHFFFAOYSA-N 1 1 457.958 2.817 40 0 JFABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844047 569714699 /nfs/dbraw/zinc/71/46/99/569714699.db2.gz ZSSMDIFBPOICDY-FFTAAJLNSA-N 1 1 479.920 2.851 40 0 JFABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844047 569714701 /nfs/dbraw/zinc/71/47/01/569714701.db2.gz ZSSMDIFBPOICDY-FFTAAJLNSA-N 1 1 479.920 2.851 40 0 JFABMO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000101344252 569793870 /nfs/dbraw/zinc/79/38/70/569793870.db2.gz VHIYIIXDRDRSKP-KCOOYEKVSA-N 1 1 465.893 2.697 40 0 JFABMO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000101344252 569793871 /nfs/dbraw/zinc/79/38/71/569793871.db2.gz VHIYIIXDRDRSKP-KCOOYEKVSA-N 1 1 465.893 2.697 40 0 JFABMO CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000223021786 569897013 /nfs/dbraw/zinc/89/70/13/569897013.db2.gz ISAAIKGMKBSHTI-UHFFFAOYSA-N 1 1 454.961 2.650 40 0 JFABMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)C1 ZINC000223781404 569923145 /nfs/dbraw/zinc/92/31/45/569923145.db2.gz XGQXMNUPZZGALN-ZDUSSCGKSA-N 1 1 458.009 2.844 40 0 JFABMO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)C1 ZINC000223781404 569923144 /nfs/dbraw/zinc/92/31/44/569923144.db2.gz XGQXMNUPZZGALN-ZDUSSCGKSA-N 1 1 458.009 2.844 40 0 JFABMO CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000224261128 569938440 /nfs/dbraw/zinc/93/84/40/569938440.db2.gz NPCLTFVSUOUOFY-LJQANCHMSA-N 1 1 480.030 2.998 40 0 JFABMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000224523514 569947143 /nfs/dbraw/zinc/94/71/43/569947143.db2.gz HZHAUYYFLRJXCU-UHFFFAOYSA-N 1 1 451.539 2.855 40 0 JFABMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224568235 569948855 /nfs/dbraw/zinc/94/88/55/569948855.db2.gz GODZOSBSGMBVDJ-DEOSSOPVSA-N 1 1 473.639 2.997 40 0 JFABMO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000224569870 569948971 /nfs/dbraw/zinc/94/89/71/569948971.db2.gz IOAKDRWHONCPRG-UHFFFAOYSA-N 1 1 485.650 2.685 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224727898 569955001 /nfs/dbraw/zinc/95/50/01/569955001.db2.gz QIGRLLVZSATFRZ-UHFFFAOYSA-N 1 1 457.596 2.542 40 0 JFABMO Cc1ccc(C)c(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224729581 569955085 /nfs/dbraw/zinc/95/50/85/569955085.db2.gz BSVAJUZJNPVRDK-UHFFFAOYSA-N 1 1 473.639 2.998 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000224733646 569955292 /nfs/dbraw/zinc/95/52/92/569955292.db2.gz PSVMOOAOEKFEDM-UHFFFAOYSA-N 1 1 492.041 2.889 40 0 JFABMO CC(C)c1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224735462 569955403 /nfs/dbraw/zinc/95/54/03/569955403.db2.gz AJSPBPPKJOGXLO-UHFFFAOYSA-N 1 1 459.612 2.725 40 0 JFABMO CN(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000224742802 569955661 /nfs/dbraw/zinc/95/56/61/569955661.db2.gz LCZGKGHMNRBVTA-UHFFFAOYSA-N 1 1 467.591 2.609 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000224744394 569955717 /nfs/dbraw/zinc/95/57/17/569955717.db2.gz MYFBNIHRANMYED-UHFFFAOYSA-N 1 1 485.528 2.620 40 0 JFABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224746482 569955811 /nfs/dbraw/zinc/95/58/11/569955811.db2.gz XLLVCSCRJOVMIU-DEOSSOPVSA-N 1 1 473.639 2.997 40 0 JFABMO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)cc2)cc1Cl ZINC000408608656 569971886 /nfs/dbraw/zinc/97/18/86/569971886.db2.gz RTHPGCGOXMVJQI-UHFFFAOYSA-N 1 1 482.002 2.667 40 0 JFABMO Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)c1C ZINC000408615421 569974677 /nfs/dbraw/zinc/97/46/77/569974677.db2.gz QELPZPBQBBSXDM-OAQYLSRUSA-N 1 1 478.593 2.747 40 0 JFABMO O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000408618281 569976643 /nfs/dbraw/zinc/97/66/43/569976643.db2.gz FPZMCAQZPHPERY-UHFFFAOYSA-N 1 1 483.993 2.509 40 0 JFABMO Cc1ccccc1CN(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408624326 569979656 /nfs/dbraw/zinc/97/96/56/569979656.db2.gz SIGQZDCSFJFNBU-UHFFFAOYSA-N 1 1 480.030 2.678 40 0 JFABMO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408626988 569980949 /nfs/dbraw/zinc/98/09/49/569980949.db2.gz YTOKFQITSDDBEO-UHFFFAOYSA-N 1 1 496.029 2.773 40 0 JFABMO Cc1ccccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408630642 569982467 /nfs/dbraw/zinc/98/24/67/569982467.db2.gz WEFFAVFYGXFOMF-UHFFFAOYSA-N 1 1 466.003 2.682 40 0 JFABMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000226035639 570033636 /nfs/dbraw/zinc/03/36/36/570033636.db2.gz VMSQMUCUVAKOCY-UHFFFAOYSA-N 1 1 462.959 2.746 40 0 JFABMO CC(C)(C)C[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253404517 570096827 /nfs/dbraw/zinc/09/68/27/570096827.db2.gz RCCUDXFVRXNDHH-RWJYYPQGSA-N 1 1 483.653 2.931 40 0 JFABMO CC(C)(C)C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253404517 570096828 /nfs/dbraw/zinc/09/68/28/570096828.db2.gz RCCUDXFVRXNDHH-RWJYYPQGSA-N 1 1 483.653 2.931 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CC[N@H+]2CCC[C@H]2C1)OCCO3 ZINC000253499282 570100815 /nfs/dbraw/zinc/10/08/15/570100815.db2.gz SVXBMYNZMKAKJQ-MBSDFSHPSA-N 1 1 477.569 2.683 40 0 JFABMO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[N@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253499256 570100899 /nfs/dbraw/zinc/10/08/99/570100899.db2.gz SALFWCHEXNOMBM-YCRNBWNJSA-N 1 1 463.586 2.592 40 0 JFABMO COc1ccccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257202836 570108670 /nfs/dbraw/zinc/10/86/70/570108670.db2.gz ANQJPGLSLUQELT-REWPJTCUSA-N 1 1 451.567 2.769 40 0 JFABMO Cc1nccn1C[C@@]1(O)CN(C(=O)c2cccc(OCc3cccc(F)c3)c2)CC[N@H+](C)C1 ZINC000257203403 570108933 /nfs/dbraw/zinc/10/89/33/570108933.db2.gz APVWHGWOBZQWPK-RUZDIDTESA-N 1 1 452.530 2.729 40 0 JFABMO COc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cc1F ZINC000257216369 570113048 /nfs/dbraw/zinc/11/30/48/570113048.db2.gz CUGALULFUDLKEZ-REWPJTCUSA-N 1 1 469.557 2.908 40 0 JFABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCn3ccnc3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000257224867 570115585 /nfs/dbraw/zinc/11/55/85/570115585.db2.gz FDTBILGAGNJLCO-MHZLTWQESA-N 1 1 478.593 2.745 40 0 JFABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCn3ccnc3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000257224867 570115586 /nfs/dbraw/zinc/11/55/86/570115586.db2.gz FDTBILGAGNJLCO-MHZLTWQESA-N 1 1 478.593 2.745 40 0 JFABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccnn1C1CCCC1)C2 ZINC000257227265 570116294 /nfs/dbraw/zinc/11/62/94/570116294.db2.gz FOJXIYULRKBADY-RCXJIHSJSA-N 1 1 464.614 2.820 40 0 JFABMO COc1ccccc1C[N@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)CCn1cncn1 ZINC000257229924 570116981 /nfs/dbraw/zinc/11/69/81/570116981.db2.gz GAABUBSTQCWJGK-HQTOUJSTSA-N 1 1 499.999 2.528 40 0 JFABMO COc1ccccc1C[N@@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)CCn1cncn1 ZINC000257229924 570116982 /nfs/dbraw/zinc/11/69/82/570116982.db2.gz GAABUBSTQCWJGK-HQTOUJSTSA-N 1 1 499.999 2.528 40 0 JFABMO CCc1[nH]c(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c(C)[nH+]1 ZINC000257231064 570117393 /nfs/dbraw/zinc/11/73/93/570117393.db2.gz GFBBECZIGDZULG-DEOSSOPVSA-N 1 1 477.005 2.833 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CCn3cnc4ccccc43)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257248259 570122653 /nfs/dbraw/zinc/12/26/53/570122653.db2.gz JCVYVLJCWJEJRA-NVQXNPDNSA-N 1 1 489.620 2.887 40 0 JFABMO CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)[C@]2(CCCc3cccnc3)CCC[N@@H+](C)C2)C1 ZINC000257278737 570132373 /nfs/dbraw/zinc/13/23/73/570132373.db2.gz ODLKCMOMRSLAOH-KAYWLYCHSA-N 1 1 463.626 2.818 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2cccc(C[NH2+]Cc3cnc(OC)nc3)c2)cc1 ZINC000257281197 570132954 /nfs/dbraw/zinc/13/29/54/570132954.db2.gz OOBWVFAUAQIALA-FTJBHMTQSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2cccc(CNCc3cnc(OC)nc3)c2)cc1 ZINC000257281197 570132955 /nfs/dbraw/zinc/13/29/55/570132955.db2.gz OOBWVFAUAQIALA-FTJBHMTQSA-N 1 1 489.620 2.788 40 0 JFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNCc3cnc(OC)nc3)c2)cc1 ZINC000257281197 570132956 /nfs/dbraw/zinc/13/29/56/570132956.db2.gz OOBWVFAUAQIALA-FTJBHMTQSA-N 1 1 489.620 2.788 40 0 JFABMO Cc1cnn(CC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257283212 570133590 /nfs/dbraw/zinc/13/35/90/570133590.db2.gz OXFRWKQPNSUSOQ-VWLOTQADSA-N 1 1 488.032 2.697 40 0 JFABMO Cc1cccnc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257289310 570135417 /nfs/dbraw/zinc/13/54/17/570135417.db2.gz PYCBEZMHHVAULC-UGKGYDQZSA-N 1 1 454.546 2.603 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@@H+]3CC[C@]4(CCCO4)[C@H](OCc4ccccc4)C3)cc2n(C)c1=O ZINC000257304306 570139582 /nfs/dbraw/zinc/13/95/82/570139582.db2.gz SKZBFHRUHAFSRA-ZEQKJWHPSA-N 1 1 464.566 2.656 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@H+]3CC[C@]4(CCCO4)[C@H](OCc4ccccc4)C3)cc2n(C)c1=O ZINC000257304306 570139583 /nfs/dbraw/zinc/13/95/83/570139583.db2.gz SKZBFHRUHAFSRA-ZEQKJWHPSA-N 1 1 464.566 2.656 40 0 JFABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccc3c(c1)OCCCO3)C2 ZINC000257308089 570140934 /nfs/dbraw/zinc/14/09/34/570140934.db2.gz TVIYMNHDLNIAOJ-XCRWMPKNSA-N 1 1 478.593 2.670 40 0 JFABMO COc1ccc(NC(C)=O)cc1CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](Cc3cc(C)ncn3)CC[C@@H]2C1 ZINC000257323078 570145309 /nfs/dbraw/zinc/14/53/09/570145309.db2.gz WIRIBNNWCDSWLI-DNVFCKCGSA-N 1 1 451.571 2.569 40 0 JFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)CC1 ZINC000408562359 570201761 /nfs/dbraw/zinc/20/17/61/570201761.db2.gz ZGIPRECAMTYITJ-UHFFFAOYSA-N 1 1 467.975 2.692 40 0 JFABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000012833506 195151085 /nfs/dbraw/zinc/15/10/85/195151085.db2.gz MYWSXVZUUAUUPH-UHFFFAOYSA-N 1 1 495.628 2.753 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000059334860 195397516 /nfs/dbraw/zinc/39/75/16/195397516.db2.gz LXXVTGAIUBHFCB-UHFFFAOYSA-N 1 1 478.014 2.887 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044882488 525043471 /nfs/dbraw/zinc/04/34/71/525043471.db2.gz DUPHBQHJLVNNAG-UHFFFAOYSA-N 1 1 470.551 2.522 40 0 JFABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCc3ccco3)cc2c1 ZINC000000880043 553816825 /nfs/dbraw/zinc/81/68/25/553816825.db2.gz OTLUKXFFFVZOAZ-UHFFFAOYSA-N 1 1 470.595 2.729 40 0 JFABMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002139634 554063574 /nfs/dbraw/zinc/06/35/74/554063574.db2.gz PSMKLWAWNWTCCN-BBWFWOEESA-N 1 1 478.549 2.961 40 0 JFABMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002139634 554063577 /nfs/dbraw/zinc/06/35/77/554063577.db2.gz PSMKLWAWNWTCCN-BBWFWOEESA-N 1 1 478.549 2.961 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCCC[NH+]1CCOCC1)C1CCCCC1)OCO3 ZINC000019940461 555558532 /nfs/dbraw/zinc/55/85/32/555558532.db2.gz OOYSVJYTSPWMLH-UHFFFAOYSA-N 1 1 486.638 2.988 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCCC[NH+]1CCOCC1)C1CCCC1)OCO3 ZINC000019940510 555558853 /nfs/dbraw/zinc/55/88/53/555558853.db2.gz IILTVSXEIHNAMW-UHFFFAOYSA-N 1 1 472.611 2.598 40 0 JFABMO CCOCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019940998 555559463 /nfs/dbraw/zinc/55/94/63/555559463.db2.gz PBWZKOZPKGVXSM-UHFFFAOYSA-N 1 1 474.671 2.970 40 0 JFABMO CC[N@@H+](CCCNC(=O)Cn1nc(C)n2c(cc3c2cccc3OC)c1=O)Cc1ccccc1 ZINC000009971719 555570200 /nfs/dbraw/zinc/57/02/00/555570200.db2.gz SCBFUSQKRPKECH-UHFFFAOYSA-N 1 1 461.566 2.995 40 0 JFABMO CC[C@H](C)NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020081373 555630215 /nfs/dbraw/zinc/63/02/15/555630215.db2.gz YJMTWGGUEVOQNY-KRWDZBQOSA-N 1 1 476.643 2.743 40 0 JFABMO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1I ZINC000010544064 555726069 /nfs/dbraw/zinc/72/60/69/555726069.db2.gz YQGVKKZVLZZPGH-OKILXGFUSA-N 1 1 466.385 2.946 40 0 JFABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](CC)CC2)cc1Cl ZINC000022248205 555898600 /nfs/dbraw/zinc/89/86/00/555898600.db2.gz UPLQRJHPBLYAEV-NRFANRHFSA-N 1 1 480.030 2.792 40 0 JFABMO CCOC(=O)c1c(NC(=O)CN2CC[NH+](C)CC2)sc2c1CCN(Cc1ccccc1)C2 ZINC000022563386 555934802 /nfs/dbraw/zinc/93/48/02/555934802.db2.gz DGUNIMHUEMRFSJ-UHFFFAOYSA-N 1 1 456.612 2.669 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)CC1 ZINC000022829911 555956086 /nfs/dbraw/zinc/95/60/86/555956086.db2.gz GJZKFAYOGXJUPX-UHFFFAOYSA-N 1 1 479.046 2.674 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 ZINC000022933747 555986314 /nfs/dbraw/zinc/98/63/14/555986314.db2.gz HVWPBHHJAGHWEF-VWLOTQADSA-N 1 1 452.624 2.828 40 0 JFABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(F)c(Cl)c3)C[N@@H+]21)N1CCc2ccccc21 ZINC000012530408 556000341 /nfs/dbraw/zinc/00/03/41/556000341.db2.gz IEPGNQCOMONBPG-SVMVAKDDSA-N 1 1 484.959 2.520 40 0 biogenic,in-vitro JFABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(F)c(Cl)c3)C[N@H+]21)N1CCc2ccccc21 ZINC000012530408 556000342 /nfs/dbraw/zinc/00/03/42/556000342.db2.gz IEPGNQCOMONBPG-SVMVAKDDSA-N 1 1 484.959 2.520 40 0 biogenic,in-vitro JFABMO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000023958294 556106853 /nfs/dbraw/zinc/10/68/53/556106853.db2.gz OHAWZNSXTMSQGH-UHFFFAOYSA-N 1 1 471.623 2.932 40 0 JFABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019220928 556335287 /nfs/dbraw/zinc/33/52/87/556335287.db2.gz NGGZVTMQNDYRRX-ZJSXRUAMSA-N 1 1 455.566 2.741 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029882382 556359549 /nfs/dbraw/zinc/35/95/49/556359549.db2.gz QAHTZAUOIPAFMV-OAQYLSRUSA-N 1 1 492.041 2.889 40 0 JFABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019826225 556397018 /nfs/dbraw/zinc/39/70/18/556397018.db2.gz BFZUGBLLPBMQDX-ZEQKJWHPSA-N 1 1 499.619 2.909 40 0 JFABMO Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019826434 556397061 /nfs/dbraw/zinc/39/70/61/556397061.db2.gz OZUPEJOCVUQPRO-OZXSUGGESA-N 1 1 499.619 2.909 40 0 JFABMO COc1ccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccccc2F)C(=O)[C@@H]2C[C@@H](O)CN23)c2ccccc12 ZINC000225389719 560043800 /nfs/dbraw/zinc/04/38/00/560043800.db2.gz PWQKDNOAKFONQA-YKSBVNFPSA-N 1 1 489.547 2.546 40 0 biogenic,in-vitro JFABMO C[N@H+]1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000096536586 560052455 /nfs/dbraw/zinc/05/24/55/560052455.db2.gz OHBCKUNRRBAYFI-ZDXQCDESSA-N 1 1 455.002 2.810 40 0 biogenic,in-vitro JFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)CC1 ZINC000033654463 569629763 /nfs/dbraw/zinc/62/97/63/569629763.db2.gz VJUHGSRQQKMHQO-UHFFFAOYSA-N 1 1 463.987 2.634 40 0 JFABMO COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](Cc4nccs4)CC3)O2)cc1 ZINC000096036689 569732288 /nfs/dbraw/zinc/73/22/88/569732288.db2.gz FHOGHPZVRKBSIT-IBGZPJMESA-N 1 1 453.568 2.555 40 0 JFABMO CCCCN1C(=O)[C@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000103088005 569832778 /nfs/dbraw/zinc/83/27/78/569832778.db2.gz FCCFRZPQNNQUST-JAUHRSLLSA-N 1 1 453.926 2.594 40 0 JFABMO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103519471 569835740 /nfs/dbraw/zinc/83/57/40/569835740.db2.gz ZAXCYTAEYWYOIT-RKZHYGFVSA-N 1 1 493.585 2.997 40 0 JFABMO O=C(COc1ccc(I)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000108637540 569859613 /nfs/dbraw/zinc/85/96/13/569859613.db2.gz GBIRORRHKLCANS-UHFFFAOYSA-N 1 1 466.319 2.819 40 0 JFABMO CC[NH+]1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000113937342 569862479 /nfs/dbraw/zinc/86/24/79/569862479.db2.gz RYJKLKNTDYQUHK-UHFFFAOYSA-N 1 1 482.002 2.717 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)C2)cc1 ZINC000216335741 569878423 /nfs/dbraw/zinc/87/84/23/569878423.db2.gz VTOMQIPGCSQPMK-HXUWFJFHSA-N 1 1 468.579 2.906 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000223266305 569905434 /nfs/dbraw/zinc/90/54/34/569905434.db2.gz OCCZAEUYGUZHSM-UHFFFAOYSA-N 1 1 485.650 2.977 40 0 JFABMO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)C1 ZINC000223781348 569923063 /nfs/dbraw/zinc/92/30/63/569923063.db2.gz XGQXMNUPZZGALN-CYBMUJFWSA-N 1 1 458.009 2.844 40 0 JFABMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)C1 ZINC000223781348 569923064 /nfs/dbraw/zinc/92/30/64/569923064.db2.gz XGQXMNUPZZGALN-CYBMUJFWSA-N 1 1 458.009 2.844 40 0 JFABMO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224549654 569948084 /nfs/dbraw/zinc/94/80/84/569948084.db2.gz LFCRVLMTJJRQOG-UHFFFAOYSA-N 1 1 466.003 2.563 40 0 JFABMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224568284 569948876 /nfs/dbraw/zinc/94/88/76/569948876.db2.gz GODZOSBSGMBVDJ-XMMPIXPASA-N 1 1 473.639 2.997 40 0 JFABMO CC(C)c1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224568935 569948903 /nfs/dbraw/zinc/94/89/03/569948903.db2.gz WPCHIOKYDABRIT-UHFFFAOYSA-N 1 1 459.612 2.725 40 0 JFABMO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000224569943 569948973 /nfs/dbraw/zinc/94/89/73/569948973.db2.gz JVOWSACRVLRTTI-UHFFFAOYSA-N 1 1 485.650 2.685 40 0 JFABMO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000224570006 569948976 /nfs/dbraw/zinc/94/89/76/569948976.db2.gz VXUXOVUCVBBEPE-UHFFFAOYSA-N 1 1 485.650 2.685 40 0 JFABMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224579555 569949339 /nfs/dbraw/zinc/94/93/39/569949339.db2.gz BACRXCHXVMWAEB-NRFANRHFSA-N 1 1 463.575 2.519 40 0 JFABMO CCOc1ccccc1N(CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224581732 569949461 /nfs/dbraw/zinc/94/94/61/569949461.db2.gz QITAHZIUIBMZFA-UHFFFAOYSA-N 1 1 489.638 2.780 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCCC[N@H+]1CCc2ccccc2C1)Cc1ccccc1Cl ZINC000224639490 569951851 /nfs/dbraw/zinc/95/18/51/569951851.db2.gz NWPNRVMYCXJUCN-UHFFFAOYSA-N 1 1 450.004 2.666 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000224714841 569954553 /nfs/dbraw/zinc/95/45/53/569954553.db2.gz YSFFUDQCYQRLOS-UHFFFAOYSA-N 1 1 486.421 2.908 40 0 JFABMO Cc1ccc(Cl)cc1N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224715256 569954566 /nfs/dbraw/zinc/95/45/66/569954566.db2.gz UDUQJSLFRPONBW-UHFFFAOYSA-N 1 1 466.003 2.563 40 0 JFABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224734708 569955343 /nfs/dbraw/zinc/95/53/43/569955343.db2.gz BNXVGBOXNGPHKF-JOCHJYFZSA-N 1 1 463.575 2.519 40 0 JFABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224734782 569955394 /nfs/dbraw/zinc/95/53/94/569955394.db2.gz VALUYXQZWDXDOK-DEOSSOPVSA-N 1 1 473.639 2.997 40 0 JFABMO CCOc1ccccc1N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224748558 569955903 /nfs/dbraw/zinc/95/59/03/569955903.db2.gz ATKWZCNPCXIZCQ-UHFFFAOYSA-N 1 1 489.638 2.780 40 0 JFABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000224795715 569957973 /nfs/dbraw/zinc/95/79/73/569957973.db2.gz BWDCRVMQNABHBB-UHFFFAOYSA-N 1 1 466.003 2.947 40 0 JFABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224827904 569959400 /nfs/dbraw/zinc/95/94/00/569959400.db2.gz AHESTEWOAVSHBD-UHFFFAOYSA-N 1 1 459.612 2.992 40 0 JFABMO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCCC2)s1)c1ccc(Cl)cc1 ZINC000224919899 569963437 /nfs/dbraw/zinc/96/34/37/569963437.db2.gz CWWKMNSPUNMJHF-UHFFFAOYSA-N 1 1 458.009 2.988 40 0 JFABMO CS(=O)(=O)N(CCCC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000224977684 569966874 /nfs/dbraw/zinc/96/68/74/569966874.db2.gz DWLSMUHNBVPXBO-UHFFFAOYSA-N 1 1 487.622 2.569 40 0 JFABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408617389 569976134 /nfs/dbraw/zinc/97/61/34/569976134.db2.gz GJJNITKCUXMHFC-UHFFFAOYSA-N 1 1 466.003 2.682 40 0 JFABMO Cc1ccc(CN(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000408622500 569978888 /nfs/dbraw/zinc/97/88/88/569978888.db2.gz OVRABIFNQYIRMS-UHFFFAOYSA-N 1 1 487.666 2.950 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000408624803 569979877 /nfs/dbraw/zinc/97/98/77/569979877.db2.gz UTOKWTBHSGEZEV-UHFFFAOYSA-N 1 1 466.003 2.682 40 0 JFABMO Cc1cc(Cl)ccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408629678 569981721 /nfs/dbraw/zinc/98/17/21/569981721.db2.gz GDPNKZRYTYHQBQ-UHFFFAOYSA-N 1 1 466.003 2.682 40 0 JFABMO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCC2)s1)c1ccc(Cl)cc1Cl ZINC000225771327 570020862 /nfs/dbraw/zinc/02/08/62/570020862.db2.gz DPDUFFRFWSUNAQ-UHFFFAOYSA-N 1 1 464.400 2.861 40 0 JFABMO COc1cccc(N(CCCC(=O)NCCC[N@H+]2CCc3ccccc3C2)S(C)(=O)=O)c1 ZINC000225822406 570023485 /nfs/dbraw/zinc/02/34/85/570023485.db2.gz OKMZESWZXKJEGN-UHFFFAOYSA-N 1 1 459.612 2.806 40 0 JFABMO CN(CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(F)cc1 ZINC000226036719 570033612 /nfs/dbraw/zinc/03/36/12/570033612.db2.gz WHNMRRUIJLKXTJ-UHFFFAOYSA-N 1 1 450.923 2.876 40 0 JFABMO COc1ccccc1CCN1C(=O)N[C@@H](CCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1=O ZINC000252572228 570083462 /nfs/dbraw/zinc/08/34/62/570083462.db2.gz YZUWTDHXIVMNAW-HKBOAZHASA-N 1 1 456.587 2.523 40 0 JFABMO CC(C)C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253403193 570096897 /nfs/dbraw/zinc/09/68/97/570096897.db2.gz PMMOIWIJDLWVRF-PLIZHBAWSA-N 1 1 469.626 2.541 40 0 JFABMO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[N@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253499252 570100824 /nfs/dbraw/zinc/10/08/24/570100824.db2.gz SALFWCHEXNOMBM-SFYKDHMMSA-N 1 1 463.586 2.592 40 0 JFABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257201600 570108214 /nfs/dbraw/zinc/10/82/14/570108214.db2.gz AIHDCEVQEBYJSM-RUZDIDTESA-N 1 1 456.590 2.825 40 0 JFABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257201600 570108215 /nfs/dbraw/zinc/10/82/15/570108215.db2.gz AIHDCEVQEBYJSM-RUZDIDTESA-N 1 1 456.590 2.825 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)c3cncnc3)CC2)CC1 ZINC000257210433 570111310 /nfs/dbraw/zinc/11/13/10/570111310.db2.gz BUOMKKQNEDDFTD-UHFFFAOYSA-N 1 1 471.989 2.596 40 0 JFABMO CC(C)n1nccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257219203 570113943 /nfs/dbraw/zinc/11/39/43/570113943.db2.gz DGAAONSTLVBNRH-REWPJTCUSA-N 1 1 453.587 2.538 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)c3cnccn3)CC2)CC1 ZINC000257231081 570117400 /nfs/dbraw/zinc/11/74/00/570117400.db2.gz GFDKSUQKNUQARO-UHFFFAOYSA-N 1 1 471.989 2.596 40 0 JFABMO CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 ZINC000257234999 570118581 /nfs/dbraw/zinc/11/85/81/570118581.db2.gz GVYRROZRMPBOLX-QHCPKHFHSA-N 1 1 459.550 2.692 40 0 JFABMO CNC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 ZINC000257234999 570118582 /nfs/dbraw/zinc/11/85/82/570118582.db2.gz GVYRROZRMPBOLX-QHCPKHFHSA-N 1 1 459.550 2.692 40 0 JFABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1ccc(OC)cc1 ZINC000257235774 570118858 /nfs/dbraw/zinc/11/88/58/570118858.db2.gz GZJSVKBKXOQGGC-HSZRJFAPSA-N 1 1 459.550 2.906 40 0 JFABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1ccc(OC)cc1 ZINC000257235774 570118859 /nfs/dbraw/zinc/11/88/59/570118859.db2.gz GZJSVKBKXOQGGC-HSZRJFAPSA-N 1 1 459.550 2.906 40 0 JFABMO CCc1nc(C)c(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)[nH]1 ZINC000257245165 570121635 /nfs/dbraw/zinc/12/16/35/570121635.db2.gz IOHYNHJBGUHHPC-VWLOTQADSA-N 1 1 490.048 2.748 40 0 JFABMO CN1CCN(C(=O)C[C@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CC[C@@H]2Oc2cccc(Cl)c2)CC1 ZINC000257249647 570123000 /nfs/dbraw/zinc/12/30/00/570123000.db2.gz JJFFYCATXYYKCR-RDPSFJRHSA-N 1 1 491.076 2.974 40 0 JFABMO CC(=O)N[C@]12CN(CC(=O)Nc3ccc4c(c3)OCCCO4)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257256374 570125138 /nfs/dbraw/zinc/12/51/38/570125138.db2.gz KLEDLTYDSLUXDO-GDKKVTFASA-N 1 1 478.593 2.670 40 0 JFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000257258596 570125806 /nfs/dbraw/zinc/12/58/06/570125806.db2.gz KUSDEDAFONMSFF-NGSHPTGOSA-N 1 1 454.542 2.676 40 0 JFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000257258596 570125807 /nfs/dbraw/zinc/12/58/07/570125807.db2.gz KUSDEDAFONMSFF-NGSHPTGOSA-N 1 1 454.542 2.676 40 0 JFABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2NC(=O)CN2CCOCC2)n1 ZINC000257259878 570126250 /nfs/dbraw/zinc/12/62/50/570126250.db2.gz LALFICVVBKOKTQ-HSZRJFAPSA-N 1 1 474.565 2.824 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 ZINC000257259728 570126312 /nfs/dbraw/zinc/12/63/12/570126312.db2.gz KZRYGPLMXQSOEB-LPHOPBHVSA-N 1 1 463.003 2.870 40 0 JFABMO COc1cccc(C(=O)N2CC[C@H](Cc3nc(Nc4cc(C)[nH]n4)cc(N4CC[NH+](C)CC4)n3)C2)c1 ZINC000257264948 570127951 /nfs/dbraw/zinc/12/79/51/570127951.db2.gz LWQFZEQJPQBMDI-LJQANCHMSA-N 1 1 490.612 2.717 40 0 JFABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](CC(=O)NCCc4nc5ccccc5[nH]4)C[C@@H]32)cc1 ZINC000257271432 570130091 /nfs/dbraw/zinc/13/00/91/570130091.db2.gz MYHQOOMUGSEPNY-TZBSWOFLSA-N 1 1 475.593 2.567 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(CC3CCN(C(=O)C4CCCC4)CC3)n2)n[nH]1 ZINC000257278562 570132351 /nfs/dbraw/zinc/13/23/51/570132351.db2.gz OCTDMKHNQIKBFD-UHFFFAOYSA-N 1 1 466.634 2.975 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)CC3(O)CCCCC3)CC2)CC1 ZINC000257292800 570136439 /nfs/dbraw/zinc/13/64/39/570136439.db2.gz QMZMCKNQKWBPKQ-UHFFFAOYSA-N 1 1 471.642 2.924 40 0 JFABMO CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)[C@]2(CCCc3ccncc3)CCC[N@@H+](C)C2)C1 ZINC000257296084 570137272 /nfs/dbraw/zinc/13/72/72/570137272.db2.gz RBEHDBKKENRGLB-KAYWLYCHSA-N 1 1 463.626 2.818 40 0 JFABMO CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(C(F)(F)F)c2)C[C@H]1NC(=O)CC[NH3+] ZINC000257297499 570137770 /nfs/dbraw/zinc/13/77/70/570137770.db2.gz RHMZVFCWHPFQFV-WKDRNLAYSA-N 1 1 451.489 2.552 40 0 JFABMO Cc1cncc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257304825 570139912 /nfs/dbraw/zinc/13/99/12/570139912.db2.gz SNHLGCRPTHXEMS-VWLOTQADSA-N 1 1 473.017 2.858 40 0 JFABMO CCCn1cc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000257309590 570141332 /nfs/dbraw/zinc/14/13/32/570141332.db2.gz UBMQUTFSELRRKV-RUZDIDTESA-N 1 1 490.048 2.761 40 0 JFABMO COc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C(N)=O)cc1NCc1ccncc1 ZINC000257311985 570142141 /nfs/dbraw/zinc/14/21/41/570142141.db2.gz ULXCXMMIAABLHZ-QHCPKHFHSA-N 1 1 459.550 2.514 40 0 JFABMO COc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(N)=O)cc1NCc1ccncc1 ZINC000257311985 570142142 /nfs/dbraw/zinc/14/21/42/570142142.db2.gz ULXCXMMIAABLHZ-QHCPKHFHSA-N 1 1 459.550 2.514 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3cccnc3)CCO2)CC1 ZINC000257315556 570143185 /nfs/dbraw/zinc/14/31/85/570143185.db2.gz VBXLEWQBJNRRTG-XMMPIXPASA-N 1 1 458.990 2.549 40 0 JFABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](CC(=O)Nc4cc(OC)ccc4NC(C)=O)C[C@@H]32)cc1 ZINC000257317021 570143703 /nfs/dbraw/zinc/14/37/03/570143703.db2.gz VIAMLROCSHKEPX-JQYIIUTOSA-N 1 1 494.592 2.937 40 0 JFABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](CC(=O)Nc4cc(OC)ccc4NC(C)=O)C[C@@H]32)cc1 ZINC000257317021 570143704 /nfs/dbraw/zinc/14/37/04/570143704.db2.gz VIAMLROCSHKEPX-JQYIIUTOSA-N 1 1 494.592 2.937 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)C3CCOCC3)CC2)CC1 ZINC000257329043 570147230 /nfs/dbraw/zinc/14/72/30/570147230.db2.gz XIDFVDRJOZCZOW-UHFFFAOYSA-N 1 1 478.033 2.918 40 0 JFABMO CC(=O)NCCCCCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1[NH+]1CCC(F)(F)CC1 ZINC000257341817 570150793 /nfs/dbraw/zinc/15/07/93/570150793.db2.gz ZMCATFNOXVJJNN-SQMBMXPBSA-N 1 1 485.547 2.619 40 0 JFABMO Cc1cc(C)cc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000260903957 570162995 /nfs/dbraw/zinc/16/29/95/570162995.db2.gz YRPSFXPVHRHTIK-HXUWFJFHSA-N 1 1 459.612 2.607 40 0 JFABMO CCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000408559838 570199997 /nfs/dbraw/zinc/19/99/97/570199997.db2.gz ZIWIUVJPGBVJGI-UHFFFAOYSA-N 1 1 466.003 2.752 40 0 JFABMO COCc1nn2c(nnc3c2ccn(CCC[NH+]2CCOCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396227 523250297 /nfs/dbraw/zinc/25/02/97/523250297.db2.gz TZKLXFPQHHWEEL-UHFFFAOYSA-N 1 1 468.945 2.628 40 0 JFABMO CN1CC[NH+](CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000022829487 523896634 /nfs/dbraw/zinc/89/66/34/523896634.db2.gz INEBFQXNQKYQHB-UHFFFAOYSA-N 1 1 499.464 2.942 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1C[C@@H]1CCCO1)C1CCCCC1)OCO3 ZINC000008617337 527443062 /nfs/dbraw/zinc/44/30/62/527443062.db2.gz NSGSQTZXSSENSC-IBGZPJMESA-N 1 1 466.542 2.757 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1C[C@@H]1CCCO1)C1CCCCC1)OCO3 ZINC000008617337 527443065 /nfs/dbraw/zinc/44/30/65/527443065.db2.gz NSGSQTZXSSENSC-IBGZPJMESA-N 1 1 466.542 2.757 40 0 JFABMO COc1ccccc1NC(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@H](C2)C[N@H+](C2CCN(C(C)=O)CC2)C1 ZINC000008300439 554565931 /nfs/dbraw/zinc/56/59/31/554565931.db2.gz GHBYKYISHWWNIO-RBUKOAKNSA-N 1 1 479.581 2.931 40 0 biogenic,in-vitro JFABMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000008996030 554856615 /nfs/dbraw/zinc/85/66/15/554856615.db2.gz OHOFGOANDVJBSY-YYVLHXKZSA-N 1 1 471.916 2.732 40 0 JFABMO CCN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930265 555547518 /nfs/dbraw/zinc/54/75/18/555547518.db2.gz YZXDBGMJNIEHOW-UHFFFAOYSA-N 1 1 466.003 2.704 40 0 JFABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)NC1CCCCC1)OCO3 ZINC000019940506 555558869 /nfs/dbraw/zinc/55/88/69/555558869.db2.gz CSWXVWLUXYJQJN-UHFFFAOYSA-N 1 1 486.638 2.988 40 0 JFABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019941439 555560582 /nfs/dbraw/zinc/56/05/82/555560582.db2.gz XWOJXLXZACEDAD-HSZRJFAPSA-N 1 1 461.545 2.601 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3-n3cc[nH+]c3C)C2)cc1 ZINC000020110896 555647279 /nfs/dbraw/zinc/64/72/79/555647279.db2.gz RNMNHXHEIAYLAU-FQEVSTJZSA-N 1 1 468.579 2.906 40 0 JFABMO CC[NH+]1CCN(C(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000022233263 555893386 /nfs/dbraw/zinc/89/33/86/555893386.db2.gz MJMWZWFVEKTSHE-UHFFFAOYSA-N 1 1 466.003 2.849 40 0 JFABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccc(Cl)cc3)C[N@@H+]21)N1CCc2ccccc21 ZINC000015707619 555952979 /nfs/dbraw/zinc/95/29/79/555952979.db2.gz AUWHNCWMKDRFTO-VWPQPMDRSA-N 1 1 498.052 2.937 40 0 biogenic,in-vitro JFABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccc(Cl)cc3)C[N@H+]21)N1CCc2ccccc21 ZINC000015707619 555952981 /nfs/dbraw/zinc/95/29/81/555952981.db2.gz AUWHNCWMKDRFTO-VWPQPMDRSA-N 1 1 498.052 2.937 40 0 biogenic,in-vitro JFABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCN(C)CC3)ccc2C)cc1C ZINC000022822142 555955405 /nfs/dbraw/zinc/95/54/05/555955405.db2.gz KTIVTIWGKFVXRE-UHFFFAOYSA-N 1 1 458.628 2.780 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cccc(Cl)c2C)cc1 ZINC000022934614 555986977 /nfs/dbraw/zinc/98/69/77/555986977.db2.gz ZEWFDHCWKWIUTG-UHFFFAOYSA-N 1 1 493.073 2.906 40 0 JFABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000022935187 555988130 /nfs/dbraw/zinc/98/81/30/555988130.db2.gz POHIEPWKWXISNL-UHFFFAOYSA-N 1 1 493.073 2.906 40 0 JFABMO Cc1ccc2cc(CN(Cc3cccnc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000026100231 556241300 /nfs/dbraw/zinc/24/13/00/556241300.db2.gz AJLFEHVOIJZWTF-UHFFFAOYSA-N 1 1 465.623 2.831 40 0 JFABMO Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019823281 556393295 /nfs/dbraw/zinc/39/32/95/556393295.db2.gz ZWJQQNADYLDTKO-QFIPXVFZSA-N 1 1 472.655 2.723 40 0 JFABMO Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)cc12 ZINC000019824218 556395078 /nfs/dbraw/zinc/39/50/78/556395078.db2.gz CRAVEQVOQGGLAF-NRFANRHFSA-N 1 1 472.655 2.723 40 0 JFABMO C[N@@H+](CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000067870730 560050587 /nfs/dbraw/zinc/05/05/87/560050587.db2.gz HPCOCPFYCODHPE-CNNODRBYSA-N 1 1 463.047 2.898 40 0 biogenic,in-vitro JFABMO COc1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000008299171 569589234 /nfs/dbraw/zinc/58/92/34/569589234.db2.gz HGCAIRSKVURRHL-VWPQPMDRSA-N 1 1 475.549 2.709 40 0 biogenic,in-vitro JFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2Cl)CC1 ZINC000033516345 569627156 /nfs/dbraw/zinc/62/71/56/569627156.db2.gz PLLTXLHRIFAAOO-QGZVFWFLSA-N 1 1 466.003 2.922 40 0 JFABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844033 569714729 /nfs/dbraw/zinc/71/47/29/569714729.db2.gz NFPIGKHDJZHKST-WCGJNUNOSA-N 1 1 465.893 2.808 40 0 JFABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844033 569714730 /nfs/dbraw/zinc/71/47/30/569714730.db2.gz NFPIGKHDJZHKST-WCGJNUNOSA-N 1 1 465.893 2.808 40 0 JFABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344779 569793811 /nfs/dbraw/zinc/79/38/11/569793811.db2.gz NFPIGKHDJZHKST-PAXILDSZSA-N 1 1 465.893 2.808 40 0 JFABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344779 569793813 /nfs/dbraw/zinc/79/38/13/569793813.db2.gz NFPIGKHDJZHKST-PAXILDSZSA-N 1 1 465.893 2.808 40 0 JFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038754179 569806676 /nfs/dbraw/zinc/80/66/76/569806676.db2.gz HAWBCEBZAMZWTD-HXUWFJFHSA-N 1 1 460.943 2.678 40 0 JFABMO Cc1nc2n(c(=O)c1C)CN(CCC[NH+]1CCOCC1)CN2c1cccc(C(F)(F)F)c1 ZINC000038830032 569808456 /nfs/dbraw/zinc/80/84/56/569808456.db2.gz UXFNSIVRLFUZAV-UHFFFAOYSA-N 1 1 451.493 2.970 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000108030866 569858349 /nfs/dbraw/zinc/85/83/49/569858349.db2.gz BLZJWSMIEAGDRH-UHFFFAOYSA-N 1 1 471.623 2.544 40 0 JFABMO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCCC2)s1)c1ccccc1Cl ZINC000223264685 569905359 /nfs/dbraw/zinc/90/53/59/569905359.db2.gz SDAHRPYOTZWZDQ-UHFFFAOYSA-N 1 1 458.009 2.988 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc2ccccc21 ZINC000224550177 569948130 /nfs/dbraw/zinc/94/81/30/569948130.db2.gz KIYYIQPWUCAKNC-UHFFFAOYSA-N 1 1 467.591 2.754 40 0 JFABMO CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c2)CC1 ZINC000224576896 569949203 /nfs/dbraw/zinc/94/92/03/569949203.db2.gz DXODWNYKQWQGOY-UHFFFAOYSA-N 1 1 471.623 2.869 40 0 JFABMO Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224578426 569949286 /nfs/dbraw/zinc/94/92/86/569949286.db2.gz AGJCNZNZXSXAGM-SFHVURJKSA-N 1 1 480.030 2.952 40 0 JFABMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224579182 569949331 /nfs/dbraw/zinc/94/93/31/569949331.db2.gz OVIRRWFDCGURDU-QHCPKHFHSA-N 1 1 459.612 2.688 40 0 JFABMO Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224581444 569949440 /nfs/dbraw/zinc/94/94/40/569949440.db2.gz LFDXRWXJMRPRCC-UHFFFAOYSA-N 1 1 473.639 2.998 40 0 JFABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(=O)N1CCCCC1 ZINC000224725699 569954879 /nfs/dbraw/zinc/95/48/79/569954879.db2.gz KVPVHRQCVMVIMJ-UHFFFAOYSA-N 1 1 487.622 2.632 40 0 JFABMO CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000224729530 569955071 /nfs/dbraw/zinc/95/50/71/569955071.db2.gz HEZLYGRPOLMPKQ-UHFFFAOYSA-N 1 1 463.575 2.521 40 0 JFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000224731668 569955196 /nfs/dbraw/zinc/95/51/96/569955196.db2.gz KCQXPFUNPCPDLK-UHFFFAOYSA-N 1 1 499.677 2.810 40 0 JFABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224734658 569955346 /nfs/dbraw/zinc/95/53/46/569955346.db2.gz BNXVGBOXNGPHKF-QFIPXVFZSA-N 1 1 463.575 2.519 40 0 JFABMO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000224736639 569955460 /nfs/dbraw/zinc/95/54/60/569955460.db2.gz PRVCZWIBUJGXRX-UHFFFAOYSA-N 1 1 485.650 2.685 40 0 JFABMO CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408614655 569974127 /nfs/dbraw/zinc/97/41/27/569974127.db2.gz FZMDZLDOZMCKCZ-NRFANRHFSA-N 1 1 478.593 2.693 40 0 JFABMO Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)c1C ZINC000408615420 569974627 /nfs/dbraw/zinc/97/46/27/569974627.db2.gz QELPZPBQBBSXDM-NRFANRHFSA-N 1 1 478.593 2.747 40 0 JFABMO O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000408616813 569975802 /nfs/dbraw/zinc/97/58/02/569975802.db2.gz CFRYVANMSDWZMH-UHFFFAOYSA-N 1 1 485.528 2.739 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2cccc(Cl)c2C)cc1 ZINC000408618480 569976794 /nfs/dbraw/zinc/97/67/94/569976794.db2.gz JOPCKRTYEWDZAL-UHFFFAOYSA-N 1 1 480.030 2.991 40 0 JFABMO CN(c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408622097 569978658 /nfs/dbraw/zinc/97/86/58/569978658.db2.gz UHPXNRVDEKWYEG-UHFFFAOYSA-N 1 1 451.976 2.617 40 0 JFABMO COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000226069328 570035594 /nfs/dbraw/zinc/03/55/94/570035594.db2.gz FIHABIHOFLRNLG-UHFFFAOYSA-N 1 1 480.949 2.885 40 0 JFABMO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000252523059 570083084 /nfs/dbraw/zinc/08/30/84/570083084.db2.gz BTHXAPUXVRAWKI-BAGYTPMASA-N 1 1 456.587 2.523 40 0 JFABMO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000252523061 570083092 /nfs/dbraw/zinc/08/30/92/570083092.db2.gz BTHXAPUXVRAWKI-HJNYFJLDSA-N 1 1 456.587 2.523 40 0 JFABMO COc1ccccc1CCN1C(=O)N[C@@H](CCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000252572229 570083464 /nfs/dbraw/zinc/08/34/64/570083464.db2.gz YZUWTDHXIVMNAW-QHAWAJNXSA-N 1 1 456.587 2.523 40 0 JFABMO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H]13)O2 ZINC000253405715 570097024 /nfs/dbraw/zinc/09/70/24/570097024.db2.gz TUNWPMBXJVUESL-FIXSFTCYSA-N 1 1 463.578 2.850 40 0 JFABMO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H]13)O2 ZINC000253405715 570097025 /nfs/dbraw/zinc/09/70/25/570097025.db2.gz TUNWPMBXJVUESL-FIXSFTCYSA-N 1 1 463.578 2.850 40 0 JFABMO CC(C)C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C)CC2)C(=O)C1 ZINC000253405103 570097087 /nfs/dbraw/zinc/09/70/87/570097087.db2.gz RTTJMJBCRVOBIV-JQWXVRPUSA-N 1 1 482.669 2.722 40 0 JFABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000253499243 570100859 /nfs/dbraw/zinc/10/08/59/570100859.db2.gz RPSAIRVSTJFWPO-SXWKCWPCSA-N 1 1 463.586 2.538 40 0 JFABMO COc1cccc(OC)c1C(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000409022042 570103242 /nfs/dbraw/zinc/10/32/42/570103242.db2.gz IFRYMXHPJOBJPI-UHFFFAOYSA-N 1 1 451.567 2.900 40 0 JFABMO CCc1noc(C)c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257200365 570107868 /nfs/dbraw/zinc/10/78/68/570107868.db2.gz ACZGKXLWLSPSHZ-UGKGYDQZSA-N 1 1 454.571 2.619 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@@H](OCc4ccccc4)C3)cc2oc1=O ZINC000257205831 570109516 /nfs/dbraw/zinc/10/95/16/570109516.db2.gz BATUMDGAGIWCJF-DHLKQENFSA-N 1 1 451.523 2.910 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@@H](OCc4ccccc4)C3)cc2oc1=O ZINC000257205831 570109517 /nfs/dbraw/zinc/10/95/17/570109517.db2.gz BATUMDGAGIWCJF-DHLKQENFSA-N 1 1 451.523 2.910 40 0 JFABMO CC(=O)N[C@]12CN(CC(=O)Nc3ccc4[nH]c(C)nc4c3)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257206969 570110004 /nfs/dbraw/zinc/11/00/04/570110004.db2.gz BFRLTYYUTNDBGU-LPPUWEFUSA-N 1 1 460.582 2.693 40 0 JFABMO CC(=O)N[C@]12CN(CC(=O)Nc3ccc4nc(C)[nH]c4c3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257206969 570110005 /nfs/dbraw/zinc/11/00/05/570110005.db2.gz BFRLTYYUTNDBGU-LPPUWEFUSA-N 1 1 460.582 2.693 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)c3cncnc3)CC2)CC1 ZINC000257213533 570112038 /nfs/dbraw/zinc/11/20/38/570112038.db2.gz CHYWYECQOMBGEO-UHFFFAOYSA-N 1 1 471.989 2.596 40 0 JFABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2cc(C)no2)cc1 ZINC000257214533 570112528 /nfs/dbraw/zinc/11/25/28/570112528.db2.gz CMJIIFWPCDXDMI-HTDNTCHWSA-N 1 1 469.513 2.942 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)Cc3ccccc3F)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257232928 570117875 /nfs/dbraw/zinc/11/78/75/570117875.db2.gz GMZNBYLRSRASBP-URXFXBBRSA-N 1 1 453.558 2.828 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(Cc3cnn(C4CCCC4)c3)CCO2)CC1 ZINC000257234138 570118293 /nfs/dbraw/zinc/11/82/93/570118293.db2.gz GSIJZHHVFNINEM-MHZLTWQESA-N 1 1 499.631 2.951 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000257253086 570124169 /nfs/dbraw/zinc/12/41/69/570124169.db2.gz JXMZWOFTBCAMRV-VWLOTQADSA-N 1 1 489.613 2.840 40 0 JFABMO COc1ccc(C[N@@H+](C)[C@H]2CN(CC(=O)Nc3ncc(Cc4ccccc4)s3)C[C@@H]2O)cc1 ZINC000257261726 570126867 /nfs/dbraw/zinc/12/68/67/570126867.db2.gz LINYMBCKPBLTOM-GOTSBHOMSA-N 1 1 466.607 2.858 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2cccc(Cl)c2)CC1 ZINC000257285267 570134261 /nfs/dbraw/zinc/13/42/61/570134261.db2.gz PGJCOGNJOIAMBY-LPHOPBHVSA-N 1 1 463.003 2.870 40 0 JFABMO Cn1c(CNC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)nc2ccccc21 ZINC000257295357 570137011 /nfs/dbraw/zinc/13/70/11/570137011.db2.gz QXZQEEIBEPYTKE-CGHRXAFASA-N 1 1 459.594 2.934 40 0 JFABMO CCCn1cc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000257309591 570141272 /nfs/dbraw/zinc/14/12/72/570141272.db2.gz UBMQUTFSELRRKV-VWLOTQADSA-N 1 1 490.048 2.761 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)c3cnccn3)CC2)CC1 ZINC000257319998 570144413 /nfs/dbraw/zinc/14/44/13/570144413.db2.gz VUXUTINYSXQDTB-UHFFFAOYSA-N 1 1 471.989 2.596 40 0 JFABMO CC(=O)N1CC[N@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257323022 570145431 /nfs/dbraw/zinc/14/54/31/570145431.db2.gz WILPCDZNYUQHLH-OAQYLSRUSA-N 1 1 484.604 2.793 40 0 JFABMO CC(=O)N1CC[N@@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257323022 570145433 /nfs/dbraw/zinc/14/54/33/570145433.db2.gz WILPCDZNYUQHLH-OAQYLSRUSA-N 1 1 484.604 2.793 40 0 JFABMO CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)n(C)n1 ZINC000257329704 570147381 /nfs/dbraw/zinc/14/73/81/570147381.db2.gz XLCYCBQASILULO-CPJSRVTESA-N 1 1 499.631 2.832 40 0 JFABMO O=C(C[N@H+]1CCC[C@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1)N1CC(=O)Nc2ccccc21 ZINC000257342340 570150982 /nfs/dbraw/zinc/15/09/82/570150982.db2.gz ZOESZFOXXPRFPS-XMMPIXPASA-N 1 1 452.486 2.992 40 0 JFABMO O=C(C[N@@H+]1CCC[C@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1)N1CC(=O)Nc2ccccc21 ZINC000257342340 570150983 /nfs/dbraw/zinc/15/09/83/570150983.db2.gz ZOESZFOXXPRFPS-XMMPIXPASA-N 1 1 452.486 2.992 40 0 JFABMO CCOc1ccc(N([C@H](CC)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000260902640 570162936 /nfs/dbraw/zinc/16/29/36/570162936.db2.gz UKSJWYZLHMIHNI-XMMPIXPASA-N 1 1 489.638 2.779 40 0 JFABMO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000408560830 570200717 /nfs/dbraw/zinc/20/07/17/570200717.db2.gz QHEUQRSXAWNMLR-JOCHJYFZSA-N 1 1 471.623 2.830 40 0 JFABMO O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=[NH+]CCN3)cc2)cc1 ZINC000001684441 194131443 /nfs/dbraw/zinc/13/14/43/194131443.db2.gz HNIHDEWKXWMRLL-UHFFFAOYSA-N 1 1 482.548 2.933 40 0 JFABMO COc1cc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C(N)=O)CC4)cc3)cc2c(OC)c1OC ZINC000057718114 195358021 /nfs/dbraw/zinc/35/80/21/195358021.db2.gz LCFQHUOEKFAOHZ-UHFFFAOYSA-N 1 1 466.538 2.868 40 0 JFABMO COC(=O)[C@H]1[C@H]2C(Cl)=C[C@@]3([C@H]4Cc5ccc(OC)c6c5[C@@]3(CC[N@@H+]4C)[C@@]2(C)O6)[C@H]1C(=O)OC ZINC000096316394 130059216 /nfs/dbraw/zinc/05/92/16/130059216.db2.gz XZOGQYPZQYHJLG-HQDHAFKXSA-N 1 1 473.953 2.675 40 0 biogenic,in-vitro JFABMO CCOC(=O)Cn1nnnc1C[N@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1 ZINC000000926057 553862405 /nfs/dbraw/zinc/86/24/05/553862405.db2.gz JNBZKYVOSBFKFG-UHFFFAOYSA-N 1 1 452.559 2.975 40 0 JFABMO CCOC(=O)Cn1nnnc1C[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1 ZINC000000926057 553862407 /nfs/dbraw/zinc/86/24/07/553862407.db2.gz JNBZKYVOSBFKFG-UHFFFAOYSA-N 1 1 452.559 2.975 40 0 JFABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)NC5CCCCC5)c43)C2)CC1 ZINC000008300435 554565958 /nfs/dbraw/zinc/56/59/58/554565958.db2.gz OAKCLNKWQCNTHM-RBUKOAKNSA-N 1 1 455.603 2.733 40 0 biogenic,in-vitro JFABMO Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940607 555559111 /nfs/dbraw/zinc/55/91/11/555559111.db2.gz YXEVKCONWVZBMD-OZXSUGGESA-N 1 1 499.619 2.909 40 0 JFABMO CCOCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019941001 555559517 /nfs/dbraw/zinc/55/95/17/555559517.db2.gz CMOVBNZFAGKLSS-UHFFFAOYSA-N 1 1 474.671 2.970 40 0 JFABMO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)c(C)c3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000019941505 555560515 /nfs/dbraw/zinc/56/05/15/555560515.db2.gz OXHYMFFEQJDPHH-DEOSSOPVSA-N 1 1 473.581 2.525 40 0 JFABMO CN1CC[NH+](CCCNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000022829658 555955761 /nfs/dbraw/zinc/95/57/61/555955761.db2.gz VQAGYGKUWUNMCS-UHFFFAOYSA-N 1 1 479.046 2.674 40 0 JFABMO COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022928993 555980767 /nfs/dbraw/zinc/98/07/67/555980767.db2.gz XUWLABZHTDDFAM-RCZVLFRGSA-N 1 1 478.597 2.777 40 0 JFABMO COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022928989 555980861 /nfs/dbraw/zinc/98/08/61/555980861.db2.gz XUWLABZHTDDFAM-DHLKQENFSA-N 1 1 478.597 2.777 40 0 JFABMO COc1ccc(OC)c([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022929071 555981225 /nfs/dbraw/zinc/98/12/25/555981225.db2.gz QWYXOPHCPNTHRT-RDGATRHJSA-N 1 1 478.597 2.777 40 0 JFABMO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCCCC2)on1)N1CCN(c2ccccn2)CC1 ZINC000012482524 555985772 /nfs/dbraw/zinc/98/57/72/555985772.db2.gz OCQKLLHIAGFABV-VXKWHMMOSA-N 1 1 466.630 2.563 40 0 biogenic,in-vitro JFABMO CN1CC[NH+](CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 ZINC000022933750 555986308 /nfs/dbraw/zinc/98/63/08/555986308.db2.gz HVWPBHHJAGHWEF-RUZDIDTESA-N 1 1 452.624 2.828 40 0 JFABMO Cc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000022934899 555987970 /nfs/dbraw/zinc/98/79/70/555987970.db2.gz PBSYILXRQRQSKL-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064440 556261926 /nfs/dbraw/zinc/26/19/26/556261926.db2.gz AZJHSFUKERYONS-HXUWFJFHSA-N 1 1 496.568 2.745 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064440 556261928 /nfs/dbraw/zinc/26/19/28/556261928.db2.gz AZJHSFUKERYONS-HXUWFJFHSA-N 1 1 496.568 2.745 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000017805789 556266864 /nfs/dbraw/zinc/26/68/64/556266864.db2.gz RSHKOLJGPHLKRZ-UHFFFAOYSA-N 1 1 471.623 2.544 40 0 JFABMO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217323 556311896 /nfs/dbraw/zinc/31/18/96/556311896.db2.gz FOVYURCKFCWVSF-UHFFFAOYSA-N 1 1 457.596 2.542 40 0 JFABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019563388 556354166 /nfs/dbraw/zinc/35/41/66/556354166.db2.gz SHVMWJFIWXFMQV-XXBNENTESA-N 1 1 463.586 2.898 40 0 JFABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1C ZINC000019823504 556393805 /nfs/dbraw/zinc/39/38/05/556393805.db2.gz AIXSJNQFLOJKQJ-JOCHJYFZSA-N 1 1 472.655 2.723 40 0 JFABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C)cc2c1 ZINC000019824522 556395687 /nfs/dbraw/zinc/39/56/87/556395687.db2.gz WYIQUDHQJPULEJ-UHFFFAOYSA-N 1 1 460.644 2.982 40 0 JFABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019826215 556396696 /nfs/dbraw/zinc/39/66/96/556396696.db2.gz BFZUGBLLPBMQDX-JYFHCDHNSA-N 1 1 499.619 2.909 40 0 JFABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3cccc(Cl)c3)[N@H+]2C)cc1 ZINC000096536583 560052440 /nfs/dbraw/zinc/05/24/40/560052440.db2.gz PGXXXKYCGFPLBX-PWWKTKHKSA-N 1 1 485.028 2.818 40 0 biogenic,in-vitro JFABMO CC(C)(C)N1C(=O)[C@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000035808836 569712177 /nfs/dbraw/zinc/71/21/77/569712177.db2.gz BFNZVVRVIRCIOX-BERAWNTRSA-N 1 1 453.926 2.593 40 0 JFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038754177 569806709 /nfs/dbraw/zinc/80/67/09/569806709.db2.gz HAWBCEBZAMZWTD-FQEVSTJZSA-N 1 1 460.943 2.678 40 0 JFABMO CC(C)(C)N1C(=O)[C@@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000103515145 569835521 /nfs/dbraw/zinc/83/55/21/569835521.db2.gz OHOFGOANDVJBSY-CDXSOPQDSA-N 1 1 471.916 2.732 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)C2)cc1 ZINC000216335786 569878378 /nfs/dbraw/zinc/87/83/78/569878378.db2.gz VTOMQIPGCSQPMK-FQEVSTJZSA-N 1 1 468.579 2.906 40 0 JFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000224347995 569941456 /nfs/dbraw/zinc/94/14/56/569941456.db2.gz IWEDTKVPYAXFQY-UHFFFAOYSA-N 1 1 468.579 2.833 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000224549001 569948064 /nfs/dbraw/zinc/94/80/64/569948064.db2.gz ZFQNDNJCCCQWRQ-UHFFFAOYSA-N 1 1 485.528 2.620 40 0 JFABMO CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000224563647 569948557 /nfs/dbraw/zinc/94/85/57/569948557.db2.gz BGJHKDVMXURQNI-UHFFFAOYSA-N 1 1 463.575 2.521 40 0 JFABMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224567860 569948801 /nfs/dbraw/zinc/94/88/01/569948801.db2.gz OTJSNDRTNXJVIO-QHCPKHFHSA-N 1 1 459.612 2.688 40 0 JFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000224576619 569949242 /nfs/dbraw/zinc/94/92/42/569949242.db2.gz ULKWLFRFQXOPGH-UHFFFAOYSA-N 1 1 471.623 2.765 40 0 JFABMO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224726108 569954892 /nfs/dbraw/zinc/95/48/92/569954892.db2.gz BTFISFKTWACFHT-SFHVURJKSA-N 1 1 480.030 2.952 40 0 JFABMO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000224736570 569955493 /nfs/dbraw/zinc/95/54/93/569955493.db2.gz XNKJNEKVJJSSJY-UHFFFAOYSA-N 1 1 485.650 2.685 40 0 JFABMO Cc1cccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1C ZINC000224748774 569955901 /nfs/dbraw/zinc/95/59/01/569955901.db2.gz FPVQAJPNHIINNH-UHFFFAOYSA-N 1 1 473.639 2.998 40 0 JFABMO COc1ccc(Br)cc1S(=O)(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224755217 569956112 /nfs/dbraw/zinc/95/61/12/569956112.db2.gz FORXODLEFAFLSM-UHFFFAOYSA-N 1 1 455.374 2.768 40 0 JFABMO CC(C)n1c2ccc(S(=O)(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2sc1=O ZINC000224757002 569956256 /nfs/dbraw/zinc/95/62/56/569956256.db2.gz SPBWEQPVHZPCTR-UHFFFAOYSA-N 1 1 461.609 2.955 40 0 JFABMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)CC1 ZINC000408595909 569966556 /nfs/dbraw/zinc/96/65/56/569966556.db2.gz WARNQTSIHZBCOH-UHFFFAOYSA-N 1 1 463.987 2.634 40 0 JFABMO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)c(Cl)c2)cc1 ZINC000408597076 569967193 /nfs/dbraw/zinc/96/71/93/569967193.db2.gz WELQLOIZSGGZHI-UHFFFAOYSA-N 1 1 482.002 2.667 40 0 JFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)cc2C)cc1 ZINC000408626330 569980717 /nfs/dbraw/zinc/98/07/17/569980717.db2.gz WOCDCAVBZJRVDC-UHFFFAOYSA-N 1 1 459.612 2.646 40 0 JFABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408630575 569982278 /nfs/dbraw/zinc/98/22/78/569982278.db2.gz VERHJRJQNXMTDW-UHFFFAOYSA-N 1 1 496.029 2.773 40 0 JFABMO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)C1 ZINC000225851163 570024787 /nfs/dbraw/zinc/02/47/87/570024787.db2.gz SNFFFTKVWKZXNY-CYBMUJFWSA-N 1 1 458.009 2.844 40 0 JFABMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)C1 ZINC000225851163 570024788 /nfs/dbraw/zinc/02/47/88/570024788.db2.gz SNFFFTKVWKZXNY-CYBMUJFWSA-N 1 1 458.009 2.844 40 0 JFABMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000245237819 570057381 /nfs/dbraw/zinc/05/73/81/570057381.db2.gz XWCIQMFTPBSYFN-FNQZBCEJSA-N 1 1 481.618 2.864 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@H+]3[C@H](Cc4ccccc4)C[C@]4(C)NC(=O)CCC[C@H]34)cc2n(C)c1=O ZINC000257212103 570111813 /nfs/dbraw/zinc/11/18/13/570111813.db2.gz CBYXNXVOCVRGLA-CGHRXAFASA-N 1 1 475.593 2.560 40 0 JFABMO Cc1nc(CC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cs1 ZINC000257216463 570113069 /nfs/dbraw/zinc/11/30/69/570113069.db2.gz CUPKRODKBAIJQI-AVRDEDQJSA-N 1 1 474.602 2.593 40 0 JFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257223059 570114999 /nfs/dbraw/zinc/11/49/99/570114999.db2.gz DVSXTORVPCCMMP-VWLOTQADSA-N 1 1 472.561 2.521 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CC3(O)CCCCC3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257223747 570115247 /nfs/dbraw/zinc/11/52/47/570115247.db2.gz DYQUNKDVZGNYPS-GMAHTHKFSA-N 1 1 457.615 2.532 40 0 JFABMO CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257229237 570116830 /nfs/dbraw/zinc/11/68/30/570116830.db2.gz FXHSTNKKAFUOFI-CVDCTZTESA-N 1 1 488.032 2.939 40 0 JFABMO Cc1ncoc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257239090 570119936 /nfs/dbraw/zinc/11/99/36/570119936.db2.gz HNXPEYYEBSIOCK-LUKWVAJMSA-N 1 1 451.498 2.860 40 0 JFABMO Cc1ncoc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257239090 570119937 /nfs/dbraw/zinc/11/99/37/570119937.db2.gz HNXPEYYEBSIOCK-LUKWVAJMSA-N 1 1 451.498 2.860 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@@H]3CCN(C(=O)Cc4ccccc4)C3)n2)n[nH]1 ZINC000257239262 570120036 /nfs/dbraw/zinc/12/00/36/570120036.db2.gz HOPPCJUCGXYSLI-NRFANRHFSA-N 1 1 474.613 2.637 40 0 JFABMO O=C(Cc1ccccn1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257244351 570121299 /nfs/dbraw/zinc/12/12/99/570121299.db2.gz IKXZICBQMJMORH-KAHCWPQKSA-N 1 1 461.537 2.887 40 0 JFABMO Cc1cncc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257247540 570122413 /nfs/dbraw/zinc/12/24/13/570122413.db2.gz IZKYDRIVHZBHEN-REWPJTCUSA-N 1 1 454.546 2.603 40 0 JFABMO CC(C)n1nccc1CN1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257249020 570122915 /nfs/dbraw/zinc/12/29/15/570122915.db2.gz JGIWURPITYMALP-VWLOTQADSA-N 1 1 490.048 2.932 40 0 JFABMO O=C1O[C@@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000257255170 570124695 /nfs/dbraw/zinc/12/46/95/570124695.db2.gz KGKCLKBBGPXAJE-VWLOTQADSA-N 1 1 451.571 2.733 40 0 JFABMO Cc1cc(CC(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@@H+]2CCc3ccccc3C2)on1 ZINC000257257436 570125402 /nfs/dbraw/zinc/12/54/02/570125402.db2.gz KPOGVXZITBLEKD-OSNGURLVSA-N 1 1 465.525 2.789 40 0 JFABMO Cc1cc(CC(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@H+]2CCc3ccccc3C2)on1 ZINC000257257436 570125403 /nfs/dbraw/zinc/12/54/03/570125403.db2.gz KPOGVXZITBLEKD-OSNGURLVSA-N 1 1 465.525 2.789 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@H]3CCN(C(=O)c4ccccc4)C3)n2)n[nH]1 ZINC000257269612 570129528 /nfs/dbraw/zinc/12/95/28/570129528.db2.gz MQRHILUEQSIISE-LJQANCHMSA-N 1 1 460.586 2.708 40 0 JFABMO O=C(Cc1cccnc1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257275297 570131169 /nfs/dbraw/zinc/13/11/69/570131169.db2.gz NOTBQWAULXZSRN-KAHCWPQKSA-N 1 1 461.537 2.887 40 0 JFABMO COCCC(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257284715 570134045 /nfs/dbraw/zinc/13/40/45/570134045.db2.gz PDYHPATXRWHSJQ-UHFFFAOYSA-N 1 1 451.995 2.528 40 0 JFABMO COc1cc(C[N@@H+](C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCCO ZINC000257289010 570135251 /nfs/dbraw/zinc/13/52/51/570135251.db2.gz 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VXSIJADQJADVJQ-IBGZPJMESA-N 1 1 450.543 2.836 40 0 JFABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000257321000 570144840 /nfs/dbraw/zinc/14/48/40/570144840.db2.gz VZQZCXRSXVUANM-UHFFFAOYSA-N 1 1 489.613 2.840 40 0 JFABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257322178 570145124 /nfs/dbraw/zinc/14/51/24/570145124.db2.gz WEWOSIBBYBHMIJ-UGKGYDQZSA-N 1 1 488.032 2.559 40 0 JFABMO CCn1cc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257332008 570148071 /nfs/dbraw/zinc/14/80/71/570148071.db2.gz XVIUTFXYGRMAQK-VWLOTQADSA-N 1 1 490.048 2.679 40 0 JFABMO CC(=O)N[C@]12C[N@H+](CC(=O)Nc3cccc(F)c3C)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257341476 570150854 /nfs/dbraw/zinc/15/08/54/570150854.db2.gz ZKMYWPJBLIYJDZ-LPPUWEFUSA-N 1 1 466.557 2.873 40 0 JFABMO CC(=O)N[C@]12C[N@@H+](CC(=O)Nc3cccc(F)c3C)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257341476 570150855 /nfs/dbraw/zinc/15/08/55/570150855.db2.gz ZKMYWPJBLIYJDZ-LPPUWEFUSA-N 1 1 466.557 2.873 40 0 JFABMO Cc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1C ZINC000260892637 570162085 /nfs/dbraw/zinc/16/20/85/570162085.db2.gz BFKLPZMSHOYCSJ-HXUWFJFHSA-N 1 1 459.612 2.607 40 0 JFABMO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000408560831 570200678 /nfs/dbraw/zinc/20/06/78/570200678.db2.gz QHEUQRSXAWNMLR-QFIPXVFZSA-N 1 1 471.623 2.830 40 0 JFABMO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000408591726 570209321 /nfs/dbraw/zinc/20/93/21/570209321.db2.gz KAKMBCNWKJVJPG-GOSISDBHSA-N 1 1 496.029 2.597 40 0 JFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2Cl)CC1 ZINC000408593115 570209659 /nfs/dbraw/zinc/20/96/59/570209659.db2.gz MNDDZHNUWRLXGV-UHFFFAOYSA-N 1 1 451.976 2.992 40 0 JFABMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012660491 195080341 /nfs/dbraw/zinc/08/03/41/195080341.db2.gz WNFLHMRCNSIPIT-KGLIPLIRSA-N 1 1 499.365 2.937 40 0 JFABMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012660491 195080344 /nfs/dbraw/zinc/08/03/44/195080344.db2.gz WNFLHMRCNSIPIT-KGLIPLIRSA-N 1 1 499.365 2.937 40 0 JFABMO COC[C@H]1CCC[N@H+]1[C@H]1[C@@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)O[C@@H](CO)[C@H]1O ZINC000020464701 522835540 /nfs/dbraw/zinc/83/55/40/522835540.db2.gz MIZYMXHQYFZHLH-PUHDZGQXSA-N 1 1 476.564 2.567 40 0 biogenic,in-vitro JFABMO COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022928987 525380777 /nfs/dbraw/zinc/38/07/77/525380777.db2.gz XUWLABZHTDDFAM-WIOPSUGQSA-N 1 1 478.597 2.777 40 0 JFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044932859 527372206 /nfs/dbraw/zinc/37/22/06/527372206.db2.gz USCFMDOYKIDZHR-FQEVSTJZSA-N 1 1 460.943 2.678 40 0 JFABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019940357 555558520 /nfs/dbraw/zinc/55/85/20/555558520.db2.gz RMVAFOBUZYIDQF-QFIPXVFZSA-N 1 1 451.575 2.755 40 0 JFABMO CC[NH+]1CCN(C(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022232326 555891528 /nfs/dbraw/zinc/89/15/28/555891528.db2.gz TYRNQBSQLZACDG-UHFFFAOYSA-N 1 1 466.003 2.849 40 0 JFABMO CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000022233311 555893403 /nfs/dbraw/zinc/89/34/03/555893403.db2.gz SRRPJRMFICJFPT-UHFFFAOYSA-N 1 1 496.029 2.524 40 0 JFABMO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](CC)CC2)cc1Cl ZINC000022248209 555898697 /nfs/dbraw/zinc/89/86/97/555898697.db2.gz UPLQRJHPBLYAEV-OAQYLSRUSA-N 1 1 480.030 2.792 40 0 JFABMO CSc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4cccs4)[N@H+]3C2)c1 ZINC000015708009 555953234 /nfs/dbraw/zinc/95/32/34/555953234.db2.gz ZMAWRUUSYNYTIV-QKLQHJQFSA-N 1 1 487.651 2.629 40 0 biogenic,in-vitro JFABMO CSc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4cccs4)[N@@H+]3C2)c1 ZINC000015708009 555953236 /nfs/dbraw/zinc/95/32/36/555953236.db2.gz ZMAWRUUSYNYTIV-QKLQHJQFSA-N 1 1 487.651 2.629 40 0 biogenic,in-vitro JFABMO CC[NH+]1CCN([C@H](c2nnnn2CCc2ccc(OC)c(OC)c2)c2cc(OC)ccc2OC)CC1 ZINC000022930013 555983044 /nfs/dbraw/zinc/98/30/44/555983044.db2.gz AAOQJOQUJARRCS-VWLOTQADSA-N 1 1 496.612 2.677 40 0 JFABMO Cc1c(Cl)cccc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000022933347 555986023 /nfs/dbraw/zinc/98/60/23/555986023.db2.gz PEOQOEIPLMMOMC-UHFFFAOYSA-N 1 1 479.046 2.597 40 0 JFABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)c1ccc(C)c(Cl)c1 ZINC000025767175 556232850 /nfs/dbraw/zinc/23/28/50/556232850.db2.gz PCAKVLWIKWQZSK-UHFFFAOYSA-N 1 1 466.003 2.935 40 0 JFABMO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000025767288 556233208 /nfs/dbraw/zinc/23/32/08/556233208.db2.gz TVOPOMVBVZMBPN-HSZRJFAPSA-N 1 1 455.624 2.982 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064130 556261392 /nfs/dbraw/zinc/26/13/92/556261392.db2.gz JAZHEIISTITWBF-OAQYLSRUSA-N 1 1 468.558 2.982 40 0 JFABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064130 556261396 /nfs/dbraw/zinc/26/13/96/556261396.db2.gz JAZHEIISTITWBF-OAQYLSRUSA-N 1 1 468.558 2.982 40 0 JFABMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000028207762 556318258 /nfs/dbraw/zinc/31/82/58/556318258.db2.gz CJDCTEIDOSIXMK-UHFFFAOYSA-N 1 1 459.612 2.749 40 0 JFABMO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@@H]4C3)c(=O)[nH]c2cc1OC ZINC000019550922 556353760 /nfs/dbraw/zinc/35/37/60/556353760.db2.gz NUGQPAPOYADQDD-DVECYGJZSA-N 1 1 493.612 2.906 40 0 JFABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000019569220 556355305 /nfs/dbraw/zinc/35/53/05/556355305.db2.gz XCQUOYGENPIIAF-XMMPIXPASA-N 1 1 473.581 2.525 40 0 JFABMO CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019823034 556392737 /nfs/dbraw/zinc/39/27/37/556392737.db2.gz FDDCRFSJQHFTMG-JOCHJYFZSA-N 1 1 472.655 2.668 40 0 JFABMO COCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000019824193 556395134 /nfs/dbraw/zinc/39/51/34/556395134.db2.gz FJEPHVDFODNMMF-UHFFFAOYSA-N 1 1 460.644 2.580 40 0 JFABMO COc1ccc2[nH]c(=O)c(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCC3)cc2c1 ZINC000019824959 556396348 /nfs/dbraw/zinc/39/63/48/556396348.db2.gz LVDQNYGZRJWNJT-UHFFFAOYSA-N 1 1 458.628 2.878 40 0 JFABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4cccc(Cl)c4)C3)C2)c1 ZINC000514290180 560030165 /nfs/dbraw/zinc/03/01/65/560030165.db2.gz UZGCTYVIXFQYCH-XZOQPEGZSA-N 1 1 455.986 2.632 40 0 biogenic,in-vitro JFABMO CCCc1nc(C)c2c(=O)[nH]c(-c3cc(C(=O)CN4CC[NH+](CC)CC4)ccc3OCC)nn12 ZINC000065749019 569676674 /nfs/dbraw/zinc/67/66/74/569676674.db2.gz XWSVFUHSNIIXMW-UHFFFAOYSA-N 1 1 466.586 2.564 40 0 in-vitro JFABMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cccc2C ZINC000035889627 569721575 /nfs/dbraw/zinc/72/15/75/569721575.db2.gz ORYPYSWFPIWMNC-JIFNARCPSA-N 1 1 479.558 2.891 40 0 JFABMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cccc2C ZINC000035889627 569721577 /nfs/dbraw/zinc/72/15/77/569721577.db2.gz ORYPYSWFPIWMNC-JIFNARCPSA-N 1 1 479.558 2.891 40 0 JFABMO O=S(=O)(c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1)N1CCCCC1 ZINC000036312395 569760287 /nfs/dbraw/zinc/76/02/87/569760287.db2.gz UPBKBMOQEKVPTK-UHFFFAOYSA-N 1 1 455.646 2.500 40 0 JFABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344777 569793848 /nfs/dbraw/zinc/79/38/48/569793848.db2.gz NFPIGKHDJZHKST-OQVWYGCZSA-N 1 1 465.893 2.808 40 0 JFABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344777 569793850 /nfs/dbraw/zinc/79/38/50/569793850.db2.gz NFPIGKHDJZHKST-OQVWYGCZSA-N 1 1 465.893 2.808 40 0 JFABMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O ZINC000103524410 569835764 /nfs/dbraw/zinc/83/57/64/569835764.db2.gz ORYPYSWFPIWMNC-UCBOFMOASA-N 1 1 479.558 2.891 40 0 JFABMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O ZINC000103524410 569835765 /nfs/dbraw/zinc/83/57/65/569835765.db2.gz ORYPYSWFPIWMNC-UCBOFMOASA-N 1 1 479.558 2.891 40 0 JFABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000224555577 569948205 /nfs/dbraw/zinc/94/82/05/569948205.db2.gz MVCPJLXZDDLRMY-UHFFFAOYSA-N 1 1 486.421 2.908 40 0 JFABMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224568109 569948791 /nfs/dbraw/zinc/94/87/91/569948791.db2.gz HWYQILVRISQJIX-QFIPXVFZSA-N 1 1 463.575 2.519 40 0 JFABMO CCCn1c2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2sc1=O ZINC000224590061 569949727 /nfs/dbraw/zinc/94/97/27/569949727.db2.gz IDRGJGQMJVMURQ-UHFFFAOYSA-N 1 1 461.609 2.784 40 0 JFABMO Cc1cc(Cl)ccc1N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224715194 569954524 /nfs/dbraw/zinc/95/45/24/569954524.db2.gz MRAQJDPROKRXIY-UHFFFAOYSA-N 1 1 466.003 2.563 40 0 JFABMO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224724960 569954810 /nfs/dbraw/zinc/95/48/10/569954810.db2.gz GTUNXQAHILUXQS-KRWDZBQOSA-N 1 1 496.029 2.652 40 0 JFABMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224728400 569955053 /nfs/dbraw/zinc/95/50/53/569955053.db2.gz GEWGCRLCHKBELN-UHFFFAOYSA-N 1 1 487.622 2.632 40 0 JFABMO COc1ccccc1N(CCCC(=O)NCCC[N@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC000224729839 569955065 /nfs/dbraw/zinc/95/50/65/569955065.db2.gz NCWDFHHNASVWTP-UHFFFAOYSA-N 1 1 459.612 2.806 40 0 JFABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224734469 569955354 /nfs/dbraw/zinc/95/53/54/569955354.db2.gz LXPTVYLADWWJGG-HSZRJFAPSA-N 1 1 459.612 2.688 40 0 JFABMO Cc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224742149 569955670 /nfs/dbraw/zinc/95/56/70/569955670.db2.gz DSUBPONDKDYXPI-UHFFFAOYSA-N 1 1 459.612 2.690 40 0 JFABMO Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000224745523 569955768 /nfs/dbraw/zinc/95/57/68/569955768.db2.gz RTNKCUZIKOPECY-SFHVURJKSA-N 1 1 480.030 2.952 40 0 JFABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224746528 569955776 /nfs/dbraw/zinc/95/57/76/569955776.db2.gz XLLVCSCRJOVMIU-XMMPIXPASA-N 1 1 473.639 2.997 40 0 JFABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224746268 569955789 /nfs/dbraw/zinc/95/57/89/569955789.db2.gz GLRBJPLFHSOTRF-QHCPKHFHSA-N 1 1 459.612 2.688 40 0 JFABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000224746640 569955830 /nfs/dbraw/zinc/95/58/30/569955830.db2.gz ABGRBXKTMVFAJT-OAQYLSRUSA-N 1 1 463.575 2.519 40 0 JFABMO CCOc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224748634 569955859 /nfs/dbraw/zinc/95/58/59/569955859.db2.gz SRQCZWLVDDJJFD-UHFFFAOYSA-N 1 1 489.638 2.780 40 0 JFABMO Cc1ccccc1N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224748216 569955869 /nfs/dbraw/zinc/95/58/69/569955869.db2.gz YJSCAMCUEYTMDT-UHFFFAOYSA-N 1 1 459.612 2.690 40 0 JFABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000408624332 569979739 /nfs/dbraw/zinc/97/97/39/569979739.db2.gz SLBJKWNQXUXGMN-UHFFFAOYSA-N 1 1 496.029 2.691 40 0 JFABMO Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2ccccc2)c(C)c1 ZINC000408626031 569980397 /nfs/dbraw/zinc/98/03/97/569980397.db2.gz YAVOKCLCDHYHGA-UHFFFAOYSA-N 1 1 473.639 2.641 40 0 JFABMO COc1ccc(N(CCCC(=O)NCCC[N@H+]2CCc3ccccc3C2)S(C)(=O)=O)cc1 ZINC000225291744 569988619 /nfs/dbraw/zinc/98/86/19/569988619.db2.gz CSTFZADEGOXGRN-UHFFFAOYSA-N 1 1 459.612 2.806 40 0 JFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000225499251 570000232 /nfs/dbraw/zinc/00/02/32/570000232.db2.gz BSBHCMGYLVLONP-HXUWFJFHSA-N 1 1 451.633 2.867 40 0 JFABMO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000408700367 570021135 /nfs/dbraw/zinc/02/11/35/570021135.db2.gz DSGBVGCLRZFVBH-UHFFFAOYSA-N 1 1 463.625 2.686 40 0 JFABMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1OC ZINC000226037297 570033748 /nfs/dbraw/zinc/03/37/48/570033748.db2.gz FMBPOVDAGKJWQQ-UHFFFAOYSA-N 1 1 492.985 2.754 40 0 JFABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](CC1CC1)CC2=O)N1CCOCC1 ZINC000253399578 570096431 /nfs/dbraw/zinc/09/64/31/570096431.db2.gz JRSSOMHJOKTVED-MCTKTUQPSA-N 1 1 467.610 2.561 40 0 JFABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](CC1CC1)CC2=O)N1CCOCC1 ZINC000253399578 570096432 /nfs/dbraw/zinc/09/64/32/570096432.db2.gz JRSSOMHJOKTVED-MCTKTUQPSA-N 1 1 467.610 2.561 40 0 JFABMO COc1cc(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000409018663 570102334 /nfs/dbraw/zinc/10/23/34/570102334.db2.gz OAMAAPZEPGIQOL-UHFFFAOYSA-N 1 1 481.593 2.909 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@@H+]3CC[C@]4(CCCO4)[C@@H](OCc4ccccc4)C3)cc2oc1=O ZINC000257205834 570109583 /nfs/dbraw/zinc/10/95/83/570109583.db2.gz BATUMDGAGIWCJF-WIOPSUGQSA-N 1 1 451.523 2.910 40 0 JFABMO Cn1c2ccc(NC(=O)C[N@H+]3CC[C@]4(CCCO4)[C@@H](OCc4ccccc4)C3)cc2oc1=O ZINC000257205834 570109584 /nfs/dbraw/zinc/10/95/84/570109584.db2.gz BATUMDGAGIWCJF-WIOPSUGQSA-N 1 1 451.523 2.910 40 0 JFABMO Cn1nccc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257208451 570110607 /nfs/dbraw/zinc/11/06/07/570110607.db2.gz BMEVMEZSLZJNBV-DEOSSOPVSA-N 1 1 474.005 2.539 40 0 JFABMO Cc1nc2cc(NC(=O)CN3CC[C@@]4(CCC[N@H+]4CCc4ccccc4)[C@@H](O)C3)ccc2n1C ZINC000257220470 570114328 /nfs/dbraw/zinc/11/43/28/570114328.db2.gz DKYMLIPLLPYNNY-BDYUSTAISA-N 1 1 461.610 2.964 40 0 JFABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1cccc(OC)c1 ZINC000257226372 570115964 /nfs/dbraw/zinc/11/59/64/570115964.db2.gz FKJRGWQMFRWBDO-HSZRJFAPSA-N 1 1 459.550 2.906 40 0 JFABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1cccc(OC)c1 ZINC000257226372 570115966 /nfs/dbraw/zinc/11/59/66/570115966.db2.gz FKJRGWQMFRWBDO-HSZRJFAPSA-N 1 1 459.550 2.906 40 0 JFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCn3ccnc3)C2)CC1 ZINC000257228090 570116467 /nfs/dbraw/zinc/11/64/67/570116467.db2.gz FSGGMVLKZAIAEK-VWLOTQADSA-N 1 1 488.032 2.779 40 0 JFABMO Cc1cnn(CC(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000257231438 570117355 /nfs/dbraw/zinc/11/73/55/570117355.db2.gz GGQYSQDJDHFAEP-UHFFFAOYSA-N 1 1 488.032 2.697 40 0 JFABMO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@]3(O)CCCN(c4ncccn4)C3)cc2)n1 ZINC000257234926 570118591 /nfs/dbraw/zinc/11/85/91/570118591.db2.gz GVQJJVFNGMMIPM-RUZDIDTESA-N 1 1 450.587 2.832 40 0 JFABMO CC(C)n1nccc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257242282 570120764 /nfs/dbraw/zinc/12/07/64/570120764.db2.gz IBTWIOSVNAANSL-CVDCTZTESA-N 1 1 471.577 2.677 40 0 JFABMO C[C@@]1(C2CC[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC2)CN(Cc2ccccc2)C(=O)CO1 ZINC000257247103 570122133 /nfs/dbraw/zinc/12/21/33/570122133.db2.gz IXMGTWQKLDTOOC-MHZLTWQESA-N 1 1 476.577 2.501 40 0 JFABMO O=C1O[C@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000257255169 570124692 /nfs/dbraw/zinc/12/46/92/570124692.db2.gz KGKCLKBBGPXAJE-RUZDIDTESA-N 1 1 451.571 2.733 40 0 JFABMO COc1ccccc1C(=O)N1CC[C@@H](Cc2nc(Nc3cc(C)[nH]n3)cc(N3CC[NH+](C)CC3)n2)C1 ZINC000257265805 570128202 /nfs/dbraw/zinc/12/82/02/570128202.db2.gz MAKCDYNLWKWDIX-IBGZPJMESA-N 1 1 490.612 2.717 40 0 JFABMO Cc1cnc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@@H](Cc3cc(N(C)C)ncn3)C2)s1 ZINC000257278848 570132290 /nfs/dbraw/zinc/13/22/90/570132290.db2.gz ODWQHFRLOCMXJV-OAQYLSRUSA-N 1 1 479.654 2.923 40 0 JFABMO Cc1nn(C)c(C)c1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257287404 570134914 /nfs/dbraw/zinc/13/49/14/570134914.db2.gz PPVAOZLYYVWLHR-QHCPKHFHSA-N 1 1 490.656 2.508 40 0 JFABMO Cc1ncncc1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257288788 570135119 /nfs/dbraw/zinc/13/51/19/570135119.db2.gz PVROPQHRNNFENO-UHFFFAOYSA-N 1 1 486.016 2.904 40 0 JFABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](CC(=O)Nc4ccc5c(c4)OCCO5)C[C@@H]32)cc1 ZINC000257292045 570136078 /nfs/dbraw/zinc/13/60/78/570136078.db2.gz QJSMWJCLYWZCMN-DNVJHFABSA-N 1 1 465.550 2.741 40 0 JFABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](CC(=O)Nc4ccc5c(c4)OCCO5)C[C@@H]32)cc1 ZINC000257292045 570136080 /nfs/dbraw/zinc/13/60/80/570136080.db2.gz QJSMWJCLYWZCMN-DNVJHFABSA-N 1 1 465.550 2.741 40 0 JFABMO CCc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(NC(C)=O)CN(C(C)=O)[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000257308813 570141073 /nfs/dbraw/zinc/14/10/73/570141073.db2.gz TYEYLTNXBSHSHC-ZRJLEYOISA-N 1 1 462.594 2.988 40 0 JFABMO CCc1ccc(NC(=O)C[N@H+]2CC[C@@]3(NC(C)=O)CN(C(C)=O)[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000257308813 570141074 /nfs/dbraw/zinc/14/10/74/570141074.db2.gz TYEYLTNXBSHSHC-ZRJLEYOISA-N 1 1 462.594 2.988 40 0 JFABMO Cn1nccc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257311584 570141994 /nfs/dbraw/zinc/14/19/94/570141994.db2.gz UKEXTDMMUKYBNZ-UHFFFAOYSA-N 1 1 474.005 2.539 40 0 JFABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000257317058 570143658 /nfs/dbraw/zinc/14/36/58/570143658.db2.gz VIEGVGWZCRPQCB-XUZZJYLKSA-N 1 1 457.525 2.620 40 0 JFABMO O=C1CCCC[C@]2(C[N@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000257317058 570143660 /nfs/dbraw/zinc/14/36/60/570143660.db2.gz VIEGVGWZCRPQCB-XUZZJYLKSA-N 1 1 457.525 2.620 40 0 JFABMO Cc1ncncc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257319066 570144244 /nfs/dbraw/zinc/14/42/44/570144244.db2.gz VQNNPKMMNKOFIH-UHFFFAOYSA-N 1 1 486.016 2.904 40 0 JFABMO CN(C(=O)CCCn1c2ccccc2nc1C(F)(F)F)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257323833 570145698 /nfs/dbraw/zinc/14/56/98/570145698.db2.gz WMAHJAGKXLJWKD-QWFCFKBJSA-N 1 1 454.493 2.518 40 0 JFABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257338503 570150051 /nfs/dbraw/zinc/15/00/51/570150051.db2.gz YXSVVBQYXKVVLH-DEOSSOPVSA-N 1 1 474.989 2.782 40 0 JFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)n[nH]1 ZINC000257339369 570150228 /nfs/dbraw/zinc/15/02/28/570150228.db2.gz ZBJRUVOBYUBROU-QGZVFWFLSA-N 1 1 456.595 2.803 40 0 JFABMO CCc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000260886035 570161616 /nfs/dbraw/zinc/16/16/16/570161616.db2.gz CPCUNZLMHJLHQT-LJQANCHMSA-N 1 1 459.612 2.552 40 0 JFABMO CCc1ccccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000408574597 570205461 /nfs/dbraw/zinc/20/54/61/570205461.db2.gz IRLAIMMRMBYSHO-UHFFFAOYSA-N 1 1 459.612 2.591 40 0 JFABMO