smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(OC)cc3)cc2c1 ZINC000000879403 551555529 /nfs/dbraw/zinc/55/55/29/551555529.db2.gz RGTKLYUFHJDBBG-UHFFFAOYSA-N 1 1 510.660 3.857 40 0 KHABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccccc3OC)cc2c1 ZINC000000879404 551555559 /nfs/dbraw/zinc/55/55/59/551555559.db2.gz XOPHUSGYVKZUCI-UHFFFAOYSA-N 1 1 510.660 3.857 40 0 KHABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000000879706 551555503 /nfs/dbraw/zinc/55/55/03/551555503.db2.gz SMMWIBZOZHLLEA-UHFFFAOYSA-N 1 1 510.660 3.857 40 0 KHABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000000880036 551555787 /nfs/dbraw/zinc/55/57/87/551555787.db2.gz VQAGFNVBCGMVBN-UHFFFAOYSA-N 1 1 510.660 3.857 40 0 KHABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000885199 551557057 /nfs/dbraw/zinc/55/70/57/551557057.db2.gz WKHYVYVJALJAAQ-UHFFFAOYSA-N 1 1 508.644 3.544 40 0 KHABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000885200 551557107 /nfs/dbraw/zinc/55/71/07/551557107.db2.gz COGDHLXJTWNIGZ-UHFFFAOYSA-N 1 1 508.644 3.544 40 0 KHABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000885203 551557104 /nfs/dbraw/zinc/55/71/04/551557104.db2.gz JZWZZCOBOWUHJR-UHFFFAOYSA-N 1 1 522.671 3.853 40 0 KHABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000885206 551557112 /nfs/dbraw/zinc/55/71/12/551557112.db2.gz SFCIUSGEJVSTJR-UHFFFAOYSA-N 1 1 522.671 3.853 40 0 KHABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000885207 551557092 /nfs/dbraw/zinc/55/70/92/551557092.db2.gz WVPVGYXAIIAJIM-UHFFFAOYSA-N 1 1 522.671 3.853 40 0 KHABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000885208 551557070 /nfs/dbraw/zinc/55/70/70/551557070.db2.gz FCPIEDOURVVKRT-UHFFFAOYSA-N 1 1 522.671 3.853 40 0 KHABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000885211 551557121 /nfs/dbraw/zinc/55/71/21/551557121.db2.gz YQJXVLJLVVABEV-UHFFFAOYSA-N 1 1 522.671 3.853 40 0 KHABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccccc3C(=O)OC)cc2c1 ZINC000000885215 551557064 /nfs/dbraw/zinc/55/70/64/551557064.db2.gz BTZYYTOANBWKTC-UHFFFAOYSA-N 1 1 538.670 3.635 40 0 KHABMO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000891234 551562812 /nfs/dbraw/zinc/56/28/12/551562812.db2.gz QLRPONMADAFJII-UHFFFAOYSA-N 1 1 508.644 3.529 40 0 KHABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)Nc1cccc(Cl)c1)OCCO3 ZINC000000891236 551562860 /nfs/dbraw/zinc/56/28/60/551562860.db2.gz DTTHUWRMSPYMAL-UHFFFAOYSA-N 1 1 529.062 3.874 40 0 KHABMO Cc1cccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1 ZINC000000891243 551562868 /nfs/dbraw/zinc/56/28/68/551562868.db2.gz OUBSUWHRNPCDEU-UHFFFAOYSA-N 1 1 508.644 3.529 40 0 KHABMO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c(C)c1 ZINC000000891244 551562909 /nfs/dbraw/zinc/56/29/09/551562909.db2.gz ZVFRPCCXDFZWRU-UHFFFAOYSA-N 1 1 522.671 3.837 40 0 KHABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3)c(=O)[nH]c2cc1OC ZINC000000895493 551563589 /nfs/dbraw/zinc/56/35/89/551563589.db2.gz JMQDOFXJBMDFLX-UHFFFAOYSA-N 1 1 510.660 3.775 40 0 KHABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC ZINC000000895500 551563615 /nfs/dbraw/zinc/56/36/15/551563615.db2.gz WWZYOHBLLNNEHQ-UHFFFAOYSA-N 1 1 514.623 3.606 40 0 KHABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000000895515 551563671 /nfs/dbraw/zinc/56/36/71/551563671.db2.gz DYQXZOJYOLQANO-UHFFFAOYSA-N 1 1 540.686 3.865 40 0 KHABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(C)c3)c(=O)[nH]c2cc1OC ZINC000000895517 551563692 /nfs/dbraw/zinc/56/36/92/551563692.db2.gz QMZUYBZCEPFASA-UHFFFAOYSA-N 1 1 510.660 3.775 40 0 KHABMO COc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3ccc(C)cc3[nH]c2=O)c(OC)c1 ZINC000000920006 551573953 /nfs/dbraw/zinc/57/39/53/551573953.db2.gz AVKUYZUYNXOSBI-UHFFFAOYSA-N 1 1 510.660 3.775 40 0 KHABMO Cc1ccc(C)c(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1 ZINC000000920247 551573972 /nfs/dbraw/zinc/57/39/72/551573972.db2.gz UBIRBQCRBWSSKB-UHFFFAOYSA-N 1 1 522.671 3.837 40 0 KHABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C2CCCCC2)cc1 ZINC000001325121 551642482 /nfs/dbraw/zinc/64/24/82/551642482.db2.gz CADQHUPVZMUDBP-UHFFFAOYSA-N 1 1 516.602 3.678 40 0 KHABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C2CCCCC2)cc1 ZINC000001325121 551642479 /nfs/dbraw/zinc/64/24/79/551642479.db2.gz CADQHUPVZMUDBP-UHFFFAOYSA-N 1 1 516.602 3.678 40 0 KHABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C2CCCCC2)cc1 ZINC000001373662 551652267 /nfs/dbraw/zinc/65/22/67/551652267.db2.gz ZFYHBIMJTGLCQJ-UHFFFAOYSA-N 1 1 518.618 3.924 40 0 KHABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C2CCCCC2)cc1 ZINC000001373662 551652266 /nfs/dbraw/zinc/65/22/66/551652266.db2.gz ZFYHBIMJTGLCQJ-UHFFFAOYSA-N 1 1 518.618 3.924 40 0 KHABMO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1Cc1ccc(F)cc1)C1CCCCC1)OCCO3 ZINC000001373946 551652786 /nfs/dbraw/zinc/65/27/86/551652786.db2.gz JYRAWIUPOMPVIS-UHFFFAOYSA-N 1 1 504.566 3.808 40 0 KHABMO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1Cc1ccc(F)cc1)C1CCCCC1)OCCO3 ZINC000001373946 551652783 /nfs/dbraw/zinc/65/27/83/551652783.db2.gz JYRAWIUPOMPVIS-UHFFFAOYSA-N 1 1 504.566 3.808 40 0 KHABMO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1CCc1ccccc1)C1CCCCC1)OCCO3 ZINC000001373998 551653066 /nfs/dbraw/zinc/65/30/66/551653066.db2.gz CDMMRMKFPOFHPI-UHFFFAOYSA-N 1 1 500.603 3.863 40 0 KHABMO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1CCc1ccccc1)C1CCCCC1)OCCO3 ZINC000001373998 551653064 /nfs/dbraw/zinc/65/30/64/551653064.db2.gz CDMMRMKFPOFHPI-UHFFFAOYSA-N 1 1 500.603 3.863 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375115 551656238 /nfs/dbraw/zinc/65/62/38/551656238.db2.gz XXGPZQYBFCFRIS-VWLOTQADSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375115 551656235 /nfs/dbraw/zinc/65/62/35/551656235.db2.gz XXGPZQYBFCFRIS-VWLOTQADSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375116 551656218 /nfs/dbraw/zinc/65/62/18/551656218.db2.gz XXGPZQYBFCFRIS-RUZDIDTESA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375116 551656214 /nfs/dbraw/zinc/65/62/14/551656214.db2.gz XXGPZQYBFCFRIS-RUZDIDTESA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375329 551656467 /nfs/dbraw/zinc/65/64/67/551656467.db2.gz ONNBHTNGEUJIJW-VWLOTQADSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375329 551656464 /nfs/dbraw/zinc/65/64/64/551656464.db2.gz ONNBHTNGEUJIJW-VWLOTQADSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375330 551656968 /nfs/dbraw/zinc/65/69/68/551656968.db2.gz ONNBHTNGEUJIJW-RUZDIDTESA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375330 551656966 /nfs/dbraw/zinc/65/69/66/551656966.db2.gz ONNBHTNGEUJIJW-RUZDIDTESA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375474 551657310 /nfs/dbraw/zinc/65/73/10/551657310.db2.gz RZEBIAOPKZCHSW-DEOSSOPVSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375474 551657307 /nfs/dbraw/zinc/65/73/07/551657307.db2.gz RZEBIAOPKZCHSW-DEOSSOPVSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375475 551657276 /nfs/dbraw/zinc/65/72/76/551657276.db2.gz RZEBIAOPKZCHSW-XMMPIXPASA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375475 551657273 /nfs/dbraw/zinc/65/72/73/551657273.db2.gz RZEBIAOPKZCHSW-XMMPIXPASA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375619 551657574 /nfs/dbraw/zinc/65/75/74/551657574.db2.gz CTWUMNNFLJCLPE-DEOSSOPVSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375619 551657572 /nfs/dbraw/zinc/65/75/72/551657572.db2.gz CTWUMNNFLJCLPE-DEOSSOPVSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375620 551657490 /nfs/dbraw/zinc/65/74/90/551657490.db2.gz CTWUMNNFLJCLPE-XMMPIXPASA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375620 551657488 /nfs/dbraw/zinc/65/74/88/551657488.db2.gz CTWUMNNFLJCLPE-XMMPIXPASA-N 1 1 502.619 3.891 40 0 KHABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCCC2)cc1 ZINC000001375787 551657466 /nfs/dbraw/zinc/65/74/66/551657466.db2.gz LUPLDCAKLQBAHR-UHFFFAOYSA-N 1 1 502.575 3.635 40 0 KHABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCCC2)cc1 ZINC000001375787 551657464 /nfs/dbraw/zinc/65/74/64/551657464.db2.gz LUPLDCAKLQBAHR-UHFFFAOYSA-N 1 1 502.575 3.635 40 0 KHABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000001382500 551660033 /nfs/dbraw/zinc/66/00/33/551660033.db2.gz IBYZXGVTPAXDRM-MHZLTWQESA-N 1 1 509.614 3.626 40 0 KHABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000001382502 551660127 /nfs/dbraw/zinc/66/01/27/551660127.db2.gz IBYZXGVTPAXDRM-HHHXNRCGSA-N 1 1 509.614 3.626 40 0 KHABMO Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccco3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000001382613 551660390 /nfs/dbraw/zinc/66/03/90/551660390.db2.gz AXLCJQNBMZFCQA-MHZLTWQESA-N 1 1 509.614 3.680 40 0 KHABMO Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccco3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000001382615 551660401 /nfs/dbraw/zinc/66/04/01/551660401.db2.gz AXLCJQNBMZFCQA-HHHXNRCGSA-N 1 1 509.614 3.680 40 0 KHABMO Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)C[NH+](C)C)ccc1Oc1ncc(Br)cn1 ZINC000001633846 551687180 /nfs/dbraw/zinc/68/71/80/551687180.db2.gz CJKOIHGIEJMVKX-UHFFFAOYSA-N 1 1 527.379 3.802 40 0 KHABMO CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)C[N@@H+](C(C)C)CC2 ZINC000002725204 552166820 /nfs/dbraw/zinc/16/68/20/552166820.db2.gz COJVDCLYURQFNT-UHFFFAOYSA-N 1 1 526.684 3.952 40 0 KHABMO CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)C[N@H+](C(C)C)CC2 ZINC000002725204 552166819 /nfs/dbraw/zinc/16/68/19/552166819.db2.gz COJVDCLYURQFNT-UHFFFAOYSA-N 1 1 526.684 3.952 40 0 KHABMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[N@@H+](C(C)C)C3)cc1 ZINC000002725210 552166898 /nfs/dbraw/zinc/16/68/98/552166898.db2.gz BZWCUBOAAAIVOE-UHFFFAOYSA-N 1 1 520.721 3.937 40 0 KHABMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[N@H+](C(C)C)C3)cc1 ZINC000002725210 552166895 /nfs/dbraw/zinc/16/68/95/552166895.db2.gz BZWCUBOAAAIVOE-UHFFFAOYSA-N 1 1 520.721 3.937 40 0 KHABMO COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3cn(C)c4ccccc34)C2)cc1 ZINC000003841455 552420052 /nfs/dbraw/zinc/42/00/52/552420052.db2.gz WJJXMXYDNWGKTJ-VQTJNVASSA-N 1 1 518.639 3.769 40 0 biogenic,in-vitro KHABMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(NS(=O)(=O)c5cccc(F)c5)ccc43)C2)c2ccccc21 ZINC000003841486 552420054 /nfs/dbraw/zinc/42/00/54/552420054.db2.gz BAARKBBMTGOECP-RBUKOAKNSA-N 1 1 506.603 3.899 40 0 biogenic,in-vitro KHABMO CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](Cc3cn(C)c4ccccc34)C2)cc1 ZINC000004147944 552442924 /nfs/dbraw/zinc/44/29/24/552442924.db2.gz BLFGBFOVPSVBNN-LEWJYISDSA-N 1 1 545.665 3.719 40 0 biogenic,in-vitro KHABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)COc2ccc(OC)cc2)[C@H]1OC ZINC000004213752 552449581 /nfs/dbraw/zinc/44/95/81/552449581.db2.gz KFDDPVMIQMFHBI-QCGGYASCSA-N 1 1 578.662 3.919 40 0 in-man KHABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)COc2ccc(OC)cc2)[C@H]1OC ZINC000004213752 552449579 /nfs/dbraw/zinc/44/95/79/552449579.db2.gz KFDDPVMIQMFHBI-QCGGYASCSA-N 1 1 578.662 3.919 40 0 in-man KHABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000006089913 552533303 /nfs/dbraw/zinc/53/33/03/552533303.db2.gz GZHFIDXUQFDGJC-UHFFFAOYSA-N 1 1 538.670 3.619 40 0 KHABMO COc1ccc(CCNC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC ZINC000006300317 552579998 /nfs/dbraw/zinc/57/99/98/552579998.db2.gz WJCBIOIVTVRAEM-UHFFFAOYSA-N 1 1 552.741 3.804 40 0 KHABMO COc1ccc(CCNC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000006301293 552580393 /nfs/dbraw/zinc/58/03/93/552580393.db2.gz MHICEQXLAWWNBY-UHFFFAOYSA-N 1 1 552.741 3.804 40 0 KHABMO COc1ccc(CCNC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000006410161 552584159 /nfs/dbraw/zinc/58/41/59/552584159.db2.gz VFXLNURCNWSHRW-UHFFFAOYSA-N 1 1 552.741 3.804 40 0 KHABMO COc1ccccc1N1CCN(C(=O)[C@H]2C[N@H+]3CC[C@@H]2C[C@@H]3Cn2cc(CSc3ccccc3)nn2)CC1 ZINC000008254014 571360454 /nfs/dbraw/zinc/36/04/54/571360454.db2.gz YQXRSXHDCGSKAA-NOOIUNMQSA-N 1 1 532.714 3.638 40 0 biogenic,in-vitro KHABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2ccc(N)cc2)[C@@H]1OC ZINC000008615072 553102203 /nfs/dbraw/zinc/10/22/03/553102203.db2.gz RZJORDLTBFBRBO-PPQKUGGOSA-N 1 1 533.625 3.728 40 0 KHABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2ccc(N)cc2)[C@@H]1OC ZINC000008615072 553102200 /nfs/dbraw/zinc/10/22/00/553102200.db2.gz RZJORDLTBFBRBO-PPQKUGGOSA-N 1 1 533.625 3.728 40 0 KHABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2ccc(N)cc2)[C@@H]1OC ZINC000008615073 553102117 /nfs/dbraw/zinc/10/21/17/553102117.db2.gz RZJORDLTBFBRBO-HFYJIWKVSA-N 1 1 533.625 3.728 40 0 KHABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2ccc(N)cc2)[C@@H]1OC ZINC000008615073 553102113 /nfs/dbraw/zinc/10/21/13/553102113.db2.gz RZJORDLTBFBRBO-HFYJIWKVSA-N 1 1 533.625 3.728 40 0 KHABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cccc(N)c2)[C@@H]1OC ZINC000008615074 553102192 /nfs/dbraw/zinc/10/21/92/553102192.db2.gz FRSQLYLPCVXIIP-PPQKUGGOSA-N 1 1 533.625 3.728 40 0 KHABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cccc(N)c2)[C@@H]1OC ZINC000008615074 553102188 /nfs/dbraw/zinc/10/21/88/553102188.db2.gz FRSQLYLPCVXIIP-PPQKUGGOSA-N 1 1 533.625 3.728 40 0 KHABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cccc(N)c2)[C@@H]1OC ZINC000008615075 553102098 /nfs/dbraw/zinc/10/20/98/553102098.db2.gz FRSQLYLPCVXIIP-HFYJIWKVSA-N 1 1 533.625 3.728 40 0 KHABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cccc(N)c2)[C@@H]1OC ZINC000008615075 553102095 /nfs/dbraw/zinc/10/20/95/553102095.db2.gz FRSQLYLPCVXIIP-HFYJIWKVSA-N 1 1 533.625 3.728 40 0 KHABMO S=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCN(c2ccccc2)CC1)Nc1ccc(-n2cccn2)cc1 ZINC000008636252 560106640 /nfs/dbraw/zinc/10/66/40/560106640.db2.gz DRKDOZYJIPVGNG-IBGGVINMSA-N 1 1 515.731 3.691 40 0 biogenic,in-vitro KHABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(I)cc3)cc2Cl)CC1 ZINC000008898164 553180142 /nfs/dbraw/zinc/18/01/42/553180142.db2.gz GWCODOVLHSMUOU-UHFFFAOYSA-N 1 1 514.820 3.823 40 0 KHABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(I)c3)cc2Cl)CC1 ZINC000008898170 553180189 /nfs/dbraw/zinc/18/01/89/553180189.db2.gz AEQWAAFBSSKUPK-UHFFFAOYSA-N 1 1 514.820 3.823 40 0 KHABMO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC ZINC000008917783 553187173 /nfs/dbraw/zinc/18/71/73/553187173.db2.gz NAPQXLKGNVTDGM-BBBIFNBASA-N 1 1 519.642 3.745 40 0 KHABMO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC ZINC000008917783 553187171 /nfs/dbraw/zinc/18/71/71/553187171.db2.gz NAPQXLKGNVTDGM-BBBIFNBASA-N 1 1 519.642 3.745 40 0 KHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009361041 553248604 /nfs/dbraw/zinc/24/86/04/553248604.db2.gz MYUKAGCSYARXIH-PRHHBONVSA-N 1 1 500.780 3.842 40 0 KHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009361041 553248603 /nfs/dbraw/zinc/24/86/03/553248603.db2.gz MYUKAGCSYARXIH-PRHHBONVSA-N 1 1 500.780 3.842 40 0 KHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)C1 ZINC000009694780 553299662 /nfs/dbraw/zinc/29/96/62/553299662.db2.gz BALQRXXXRFCHLD-OYRHEFFESA-N 1 1 504.672 3.737 40 0 KHABMO Cc1ccc(C)c(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)N(C)C)c1 ZINC000009694800 553299635 /nfs/dbraw/zinc/29/96/35/553299635.db2.gz SMTLTOWBGMYQKL-UHFFFAOYSA-N 1 1 520.699 3.850 40 0 KHABMO CC(C)[N@@H+](CCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)Cc1ccco1 ZINC000009831386 553309402 /nfs/dbraw/zinc/30/94/02/553309402.db2.gz HFHOSGDEVHSOFC-UHFFFAOYSA-N 1 1 512.614 3.645 40 0 KHABMO Cc1ccc(Cn2c3nnc(CCC(=O)NCC[N@@H+](Cc4ccco4)C(C)C)n3c3ccccc3c2=O)cc1 ZINC000009831422 553309392 /nfs/dbraw/zinc/30/93/92/553309392.db2.gz BVCSLRKIJDNXBN-UHFFFAOYSA-N 1 1 526.641 3.953 40 0 KHABMO C[C@@H]1C[C@H](N(C(=O)C[NH+]2CCC(C(N)=O)CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000010383890 553336078 /nfs/dbraw/zinc/33/60/78/553336078.db2.gz WQHNYCWMAYSYBW-NLFFAJNJSA-N 1 1 500.599 3.990 40 0 KHABMO C[C@H]1C[C@H](N(C(=O)C[NH+]2CCC(C(N)=O)CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000010383898 553336067 /nfs/dbraw/zinc/33/60/67/553336067.db2.gz WQHNYCWMAYSYBW-CPJSRVTESA-N 1 1 500.599 3.990 40 0 KHABMO C[C@@H]1C[C@@H](N(C(=O)C[NH+]2CCC(C(N)=O)CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000010383904 553336005 /nfs/dbraw/zinc/33/60/05/553336005.db2.gz WQHNYCWMAYSYBW-CJFMBICVSA-N 1 1 500.599 3.990 40 0 KHABMO C[C@H]1C[C@@H](N(C(=O)C[NH+]2CCC(C(N)=O)CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000010383912 553335979 /nfs/dbraw/zinc/33/59/79/553335979.db2.gz WQHNYCWMAYSYBW-NBGIEHNGSA-N 1 1 500.599 3.990 40 0 KHABMO CC[C@H](c1nnnn1CCOC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063997 553443800 /nfs/dbraw/zinc/44/38/00/553443800.db2.gz ZNAWYGZCPCFQLV-XMMPIXPASA-N 1 1 520.634 3.683 40 0 KHABMO CC[C@H](c1nnnn1CCOC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063997 553443798 /nfs/dbraw/zinc/44/37/98/553443798.db2.gz ZNAWYGZCPCFQLV-XMMPIXPASA-N 1 1 520.634 3.683 40 0 KHABMO CC[C@@H](c1nnnn1CCOC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063998 553443632 /nfs/dbraw/zinc/44/36/32/553443632.db2.gz ZNAWYGZCPCFQLV-DEOSSOPVSA-N 1 1 520.634 3.683 40 0 KHABMO CC[C@@H](c1nnnn1CCOC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063998 553443629 /nfs/dbraw/zinc/44/36/29/553443629.db2.gz ZNAWYGZCPCFQLV-DEOSSOPVSA-N 1 1 520.634 3.683 40 0 KHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013064423 553443922 /nfs/dbraw/zinc/44/39/22/553443922.db2.gz WHPVSYJLEHUPCT-JTHBVZDNSA-N 1 1 508.623 3.751 40 0 KHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013064424 553443992 /nfs/dbraw/zinc/44/39/92/553443992.db2.gz WHPVSYJLEHUPCT-GMAHTHKFSA-N 1 1 508.623 3.751 40 0 KHABMO CC[C@H](c1nnnn1CCOC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064758 553444276 /nfs/dbraw/zinc/44/42/76/553444276.db2.gz KGRSMFABQPOJOO-RUZDIDTESA-N 1 1 534.661 3.991 40 0 KHABMO CC[C@H](c1nnnn1CCOC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064758 553444273 /nfs/dbraw/zinc/44/42/73/553444273.db2.gz KGRSMFABQPOJOO-RUZDIDTESA-N 1 1 534.661 3.991 40 0 KHABMO CC[C@@H](c1nnnn1CCOC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064759 553444336 /nfs/dbraw/zinc/44/43/36/553444336.db2.gz KGRSMFABQPOJOO-VWLOTQADSA-N 1 1 534.661 3.991 40 0 KHABMO CC[C@@H](c1nnnn1CCOC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064759 553444334 /nfs/dbraw/zinc/44/43/34/553444334.db2.gz KGRSMFABQPOJOO-VWLOTQADSA-N 1 1 534.661 3.991 40 0 KHABMO CC[C@H](c1nnnn1CCOC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065296 553444569 /nfs/dbraw/zinc/44/45/69/553444569.db2.gz JSRCHLJGZZPRKD-XMMPIXPASA-N 1 1 534.661 3.991 40 0 KHABMO CC[C@H](c1nnnn1CCOC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065296 553444567 /nfs/dbraw/zinc/44/45/67/553444567.db2.gz JSRCHLJGZZPRKD-XMMPIXPASA-N 1 1 534.661 3.991 40 0 KHABMO CC[C@@H](c1nnnn1CCOC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065297 553444576 /nfs/dbraw/zinc/44/45/76/553444576.db2.gz JSRCHLJGZZPRKD-DEOSSOPVSA-N 1 1 534.661 3.991 40 0 KHABMO CC[C@@H](c1nnnn1CCOC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065297 553444574 /nfs/dbraw/zinc/44/45/74/553444574.db2.gz JSRCHLJGZZPRKD-DEOSSOPVSA-N 1 1 534.661 3.991 40 0 KHABMO Cc1ccc2cc(C[N@H+](CCCN3CCOCC3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013151180 553456700 /nfs/dbraw/zinc/45/67/00/553456700.db2.gz MAZRFTRAOANYNC-HHHXNRCGSA-N 1 1 533.677 3.694 40 0 KHABMO Cc1ccc2cc(C[N@@H+](CCCN3CCOCC3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013151180 553456698 /nfs/dbraw/zinc/45/66/98/553456698.db2.gz MAZRFTRAOANYNC-HHHXNRCGSA-N 1 1 533.677 3.694 40 0 KHABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013151180 553456697 /nfs/dbraw/zinc/45/66/97/553456697.db2.gz MAZRFTRAOANYNC-HHHXNRCGSA-N 1 1 533.677 3.694 40 0 KHABMO Cc1ccc2cc(C[N@H+](CCCN3CCOCC3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013151181 553456706 /nfs/dbraw/zinc/45/67/06/553456706.db2.gz MAZRFTRAOANYNC-MHZLTWQESA-N 1 1 533.677 3.694 40 0 KHABMO Cc1ccc2cc(C[N@@H+](CCCN3CCOCC3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013151181 553456705 /nfs/dbraw/zinc/45/67/05/553456705.db2.gz MAZRFTRAOANYNC-MHZLTWQESA-N 1 1 533.677 3.694 40 0 KHABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013151181 553456703 /nfs/dbraw/zinc/45/67/03/553456703.db2.gz MAZRFTRAOANYNC-MHZLTWQESA-N 1 1 533.677 3.694 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495850 553462860 /nfs/dbraw/zinc/46/28/60/553462860.db2.gz OCPFAWJDKYEHPE-XMMPIXPASA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495850 553462858 /nfs/dbraw/zinc/46/28/58/553462858.db2.gz OCPFAWJDKYEHPE-XMMPIXPASA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495851 553462759 /nfs/dbraw/zinc/46/27/59/553462759.db2.gz OCPFAWJDKYEHPE-DEOSSOPVSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495851 553462757 /nfs/dbraw/zinc/46/27/57/553462757.db2.gz OCPFAWJDKYEHPE-DEOSSOPVSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495864 553463073 /nfs/dbraw/zinc/46/30/73/553463073.db2.gz DTKKGFLEPZUEOH-RUZDIDTESA-N 1 1 518.618 3.672 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495864 553463071 /nfs/dbraw/zinc/46/30/71/553463071.db2.gz DTKKGFLEPZUEOH-RUZDIDTESA-N 1 1 518.618 3.672 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495865 553463079 /nfs/dbraw/zinc/46/30/79/553463079.db2.gz DTKKGFLEPZUEOH-VWLOTQADSA-N 1 1 518.618 3.672 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495865 553463078 /nfs/dbraw/zinc/46/30/78/553463078.db2.gz DTKKGFLEPZUEOH-VWLOTQADSA-N 1 1 518.618 3.672 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495884 553463025 /nfs/dbraw/zinc/46/30/25/553463025.db2.gz RFDVXGPACZQPGR-XMMPIXPASA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495884 553463022 /nfs/dbraw/zinc/46/30/22/553463022.db2.gz RFDVXGPACZQPGR-XMMPIXPASA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495885 553462971 /nfs/dbraw/zinc/46/29/71/553462971.db2.gz RFDVXGPACZQPGR-DEOSSOPVSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495885 553462968 /nfs/dbraw/zinc/46/29/68/553462968.db2.gz RFDVXGPACZQPGR-DEOSSOPVSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495900 553463017 /nfs/dbraw/zinc/46/30/17/553463017.db2.gz DWRHLCRJLRHLNO-RUZDIDTESA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495900 553463014 /nfs/dbraw/zinc/46/30/14/553463014.db2.gz DWRHLCRJLRHLNO-RUZDIDTESA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495901 553463313 /nfs/dbraw/zinc/46/33/13/553463313.db2.gz DWRHLCRJLRHLNO-VWLOTQADSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495901 553463311 /nfs/dbraw/zinc/46/33/11/553463311.db2.gz DWRHLCRJLRHLNO-VWLOTQADSA-N 1 1 502.619 3.891 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495962 553463574 /nfs/dbraw/zinc/46/35/74/553463574.db2.gz SIJXWVWULQQTAO-AREMUKBSSA-N 1 1 532.645 3.981 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495962 553463573 /nfs/dbraw/zinc/46/35/73/553463573.db2.gz SIJXWVWULQQTAO-AREMUKBSSA-N 1 1 532.645 3.981 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495963 553463559 /nfs/dbraw/zinc/46/35/59/553463559.db2.gz SIJXWVWULQQTAO-SANMLTNESA-N 1 1 532.645 3.981 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495963 553463558 /nfs/dbraw/zinc/46/35/58/553463558.db2.gz SIJXWVWULQQTAO-SANMLTNESA-N 1 1 532.645 3.981 40 0 KHABMO CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500516 553466086 /nfs/dbraw/zinc/46/60/86/553466086.db2.gz AJQHLEMOKARVOC-WNCULLNHSA-N 1 1 530.629 3.864 40 0 KHABMO CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500516 553466084 /nfs/dbraw/zinc/46/60/84/553466084.db2.gz AJQHLEMOKARVOC-WNCULLNHSA-N 1 1 530.629 3.864 40 0 KHABMO CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500517 553465976 /nfs/dbraw/zinc/46/59/76/553465976.db2.gz AJQHLEMOKARVOC-HOFKKMOUSA-N 1 1 530.629 3.864 40 0 KHABMO CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500517 553465974 /nfs/dbraw/zinc/46/59/74/553465974.db2.gz AJQHLEMOKARVOC-HOFKKMOUSA-N 1 1 530.629 3.864 40 0 KHABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500660 553466050 /nfs/dbraw/zinc/46/60/50/553466050.db2.gz ITVXSOCELMHKAW-MUUNZHRXSA-N 1 1 529.689 3.793 40 0 KHABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500661 553466019 /nfs/dbraw/zinc/46/60/19/553466019.db2.gz ITVXSOCELMHKAW-NDEPHWFRSA-N 1 1 529.689 3.793 40 0 KHABMO CC[C@H](c1nnnn1C1CCCC1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501096 553466476 /nfs/dbraw/zinc/46/64/76/553466476.db2.gz XFIDCVOTROFXHA-RUZDIDTESA-N 1 1 507.683 3.922 40 0 KHABMO CC[C@@H](c1nnnn1C1CCCC1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501097 553466588 /nfs/dbraw/zinc/46/65/88/553466588.db2.gz XFIDCVOTROFXHA-VWLOTQADSA-N 1 1 507.683 3.922 40 0 KHABMO Cc1cccc2cc(C[N@@H+](CCCN3CCOCC3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501235 553466557 /nfs/dbraw/zinc/46/65/57/553466557.db2.gz CQFITGLVDZROEP-UHFFFAOYSA-N 1 1 519.694 3.932 40 0 KHABMO Cc1cccc2cc(C[N@H+](CCCN3CCOCC3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501235 553466556 /nfs/dbraw/zinc/46/65/56/553466556.db2.gz CQFITGLVDZROEP-UHFFFAOYSA-N 1 1 519.694 3.932 40 0 KHABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC)cc1 ZINC000013544327 553469737 /nfs/dbraw/zinc/46/97/37/553469737.db2.gz JVOCCYOYQOSUMJ-UHFFFAOYSA-N 1 1 516.664 3.754 40 0 KHABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)c1cccc(F)c1 ZINC000013544451 553469711 /nfs/dbraw/zinc/46/97/11/553469711.db2.gz ADEICBDEOOXHHH-UHFFFAOYSA-N 1 1 504.628 3.884 40 0 KHABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581252 553475557 /nfs/dbraw/zinc/47/55/57/553475557.db2.gz JMKNEFDOUXDMNT-UHFFFAOYSA-N 1 1 525.646 3.779 40 0 KHABMO COc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(N(C)S(C)(=O)=O)cc1OC ZINC000013582685 553475779 /nfs/dbraw/zinc/47/57/79/553475779.db2.gz LSEOJKGWMMBUPO-UHFFFAOYSA-N 1 1 523.655 3.647 40 0 KHABMO CCN(c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585389 553476453 /nfs/dbraw/zinc/47/64/53/553476453.db2.gz WSXSCQBSWPGBDL-UHFFFAOYSA-N 1 1 507.656 3.933 40 0 KHABMO CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013633186 553478735 /nfs/dbraw/zinc/47/87/35/553478735.db2.gz NYSIVIVIXOZVCA-UHFFFAOYSA-N 1 1 507.656 3.640 40 0 KHABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2Cl)CC1 ZINC000014277211 553510163 /nfs/dbraw/zinc/51/01/63/553510163.db2.gz BNXFPWCCPUJMSB-UHFFFAOYSA-N 1 1 514.820 3.823 40 0 KHABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C4CCN(C(=O)OCC)CC4)CC3)C2=O)cc1 ZINC000015080817 553527591 /nfs/dbraw/zinc/52/75/91/553527591.db2.gz OWKKIVXWFQEHHJ-XMMPIXPASA-N 1 1 513.635 3.856 40 0 KHABMO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015229987 553529882 /nfs/dbraw/zinc/52/98/82/553529882.db2.gz LTFAYCZQZHVMFN-UHFFFAOYSA-N 1 1 512.075 3.918 40 0 KHABMO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000016001153 553549940 /nfs/dbraw/zinc/54/99/40/553549940.db2.gz ILUQVSSPLZCOND-SSUZURRFSA-N 1 1 509.518 3.578 40 0 KHABMO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000016001153 553549939 /nfs/dbraw/zinc/54/99/39/553549939.db2.gz ILUQVSSPLZCOND-SSUZURRFSA-N 1 1 509.518 3.578 40 0 KHABMO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000016001155 553549887 /nfs/dbraw/zinc/54/98/87/553549887.db2.gz ILUQVSSPLZCOND-QEGGNFSNSA-N 1 1 509.518 3.578 40 0 KHABMO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000016001155 553549886 /nfs/dbraw/zinc/54/98/86/553549886.db2.gz ILUQVSSPLZCOND-QEGGNFSNSA-N 1 1 509.518 3.578 40 0 KHABMO Cc1[nH]c(/C=C2/C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000016052810 553555172 /nfs/dbraw/zinc/55/51/72/553555172.db2.gz FPYJSJDOHRDAMT-XQNSMLJCSA-N 1 1 568.099 3.990 40 0 in-vitro KHABMO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016187568 553555929 /nfs/dbraw/zinc/55/59/29/553555929.db2.gz PVVAOICRWZFRMW-UHFFFAOYSA-N 1 1 528.074 3.903 40 0 KHABMO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000016187572 553555999 /nfs/dbraw/zinc/55/59/99/553555999.db2.gz DORKSWFDMFFVNW-UHFFFAOYSA-N 1 1 528.074 3.903 40 0 KHABMO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000016283001 553558489 /nfs/dbraw/zinc/55/84/89/553558489.db2.gz HHTJZWYRUBYWIW-UHFFFAOYSA-N 1 1 507.656 3.558 40 0 KHABMO O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016477749 553565814 /nfs/dbraw/zinc/56/58/14/553565814.db2.gz OAPHVURVNHWLDX-UHFFFAOYSA-N 1 1 519.667 3.784 40 0 KHABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)NC(C)C ZINC000016575472 553568330 /nfs/dbraw/zinc/56/83/30/553568330.db2.gz JSAOUGSSBAISDC-UHFFFAOYSA-N 1 1 507.656 3.929 40 0 KHABMO O=C(NCCCCCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000019015565 553612400 /nfs/dbraw/zinc/61/24/00/553612400.db2.gz FFLRVGASEMBLRO-UHFFFAOYSA-N 1 1 520.722 3.602 40 0 KHABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCCc3ccccc3)cc2c1 ZINC000019824533 553620894 /nfs/dbraw/zinc/62/08/94/553620894.db2.gz JFTFWXIFGVRCBT-UHFFFAOYSA-N 1 1 508.688 3.568 40 0 KHABMO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824581 553620967 /nfs/dbraw/zinc/62/09/67/553620967.db2.gz UINNZTKQKHPBBN-UHFFFAOYSA-N 1 1 512.651 3.665 40 0 KHABMO CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019825367 553621071 /nfs/dbraw/zinc/62/10/71/553621071.db2.gz RWZHYUPSTTYOBK-UHFFFAOYSA-N 1 1 508.688 3.698 40 0 KHABMO COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000019825387 553621166 /nfs/dbraw/zinc/62/11/66/553621166.db2.gz WNLDYQPBZAUPAC-UHFFFAOYSA-N 1 1 508.688 3.753 40 0 KHABMO COc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000019825394 553621107 /nfs/dbraw/zinc/62/11/07/553621107.db2.gz FRBPUVOWNHDDOW-UHFFFAOYSA-N 1 1 508.688 3.753 40 0 KHABMO COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000019825399 553621131 /nfs/dbraw/zinc/62/11/31/553621131.db2.gz OLMSUIUTRHTELE-UHFFFAOYSA-N 1 1 508.688 3.753 40 0 KHABMO COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000019825405 553621193 /nfs/dbraw/zinc/62/11/93/553621193.db2.gz QXNVHOGJXNVQSD-UHFFFAOYSA-N 1 1 508.688 3.753 40 0 KHABMO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019825417 553621217 /nfs/dbraw/zinc/62/12/17/553621217.db2.gz YOCQQRJVMNEFOW-UHFFFAOYSA-N 1 1 524.687 3.534 40 0 KHABMO CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019825537 553621478 /nfs/dbraw/zinc/62/14/78/553621478.db2.gz DMHZHGVQDDCWKD-UHFFFAOYSA-N 1 1 500.690 3.587 40 0 KHABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019825679 553621510 /nfs/dbraw/zinc/62/15/10/553621510.db2.gz FQLZADIMMZWOTI-UHFFFAOYSA-N 1 1 508.644 3.544 40 0 KHABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019826123 553621609 /nfs/dbraw/zinc/62/16/09/553621609.db2.gz HUEOYGODPUJUBY-MUUNZHRXSA-N 1 1 505.626 3.779 40 0 KHABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019826127 193889508 /nfs/dbraw/zinc/88/95/08/193889508.db2.gz HUEOYGODPUJUBY-NDEPHWFRSA-N 1 1 505.626 3.779 40 0 KHABMO COc1ccc(C[NH+]2CCN([C@@H](c3nnnn3C3CCCC3)c3cc4cccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019826275 553622009 /nfs/dbraw/zinc/62/20/09/553622009.db2.gz MHPOLXREIBTGPO-HHHXNRCGSA-N 1 1 513.646 3.854 40 0 KHABMO COc1ccc(C[NH+]2CCN([C@H](c3nnnn3C3CCCC3)c3cc4cccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019826280 553621940 /nfs/dbraw/zinc/62/19/40/553621940.db2.gz MHPOLXREIBTGPO-MHZLTWQESA-N 1 1 513.646 3.854 40 0 KHABMO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019826353 553621972 /nfs/dbraw/zinc/62/19/72/553621972.db2.gz GIAYOZJWMAQOBZ-MUUNZHRXSA-N 1 1 505.626 3.779 40 0 KHABMO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019826356 553622025 /nfs/dbraw/zinc/62/20/25/553622025.db2.gz GIAYOZJWMAQOBZ-NDEPHWFRSA-N 1 1 505.626 3.779 40 0 KHABMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1C(C)C ZINC000019901368 553632867 /nfs/dbraw/zinc/63/28/67/553632867.db2.gz GSDHJKPICMYLOA-DEOSSOPVSA-N 1 1 515.654 3.925 40 0 KHABMO Cc1cc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1C(C)C ZINC000019901370 553632781 /nfs/dbraw/zinc/63/27/81/553632781.db2.gz GSDHJKPICMYLOA-XMMPIXPASA-N 1 1 515.654 3.925 40 0 KHABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929828 553634363 /nfs/dbraw/zinc/63/43/63/553634363.db2.gz SFOKBJOUBODQEO-UHFFFAOYSA-N 1 1 521.683 3.948 40 0 KHABMO O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019930669 553634584 /nfs/dbraw/zinc/63/45/84/553634584.db2.gz GUGDTUPHQMLNRD-UHFFFAOYSA-N 1 1 503.668 3.994 40 0 KHABMO COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000019933084 553635784 /nfs/dbraw/zinc/63/57/84/553635784.db2.gz YEKXDKQTBWCNSL-UHFFFAOYSA-N 1 1 520.611 3.710 40 0 KHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019934749 553636373 /nfs/dbraw/zinc/63/63/73/553636373.db2.gz LXMFDUCTTBZINM-UHFFFAOYSA-N 1 1 505.015 3.831 40 0 KHABMO COc1ccc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936153 553636648 /nfs/dbraw/zinc/63/66/48/553636648.db2.gz LKJBRFNPGJBOMT-HHHXNRCGSA-N 1 1 507.656 3.792 40 0 KHABMO COc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936155 553636630 /nfs/dbraw/zinc/63/66/30/553636630.db2.gz LKJBRFNPGJBOMT-MHZLTWQESA-N 1 1 507.656 3.792 40 0 KHABMO CC[NH+]1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000019938097 553637529 /nfs/dbraw/zinc/63/75/29/553637529.db2.gz DTQCHQVZWSKGGB-UHFFFAOYSA-N 1 1 507.656 3.933 40 0 KHABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940352 553638791 /nfs/dbraw/zinc/63/87/91/553638791.db2.gz DCPXFCTWEXOLCX-HHHXNRCGSA-N 1 1 513.646 3.936 40 0 KHABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940353 553638780 /nfs/dbraw/zinc/63/87/80/553638780.db2.gz DCPXFCTWEXOLCX-MHZLTWQESA-N 1 1 513.646 3.936 40 0 KHABMO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940400 553638946 /nfs/dbraw/zinc/63/89/46/553638946.db2.gz HGICYNMQJZLQCU-HHHXNRCGSA-N 1 1 513.646 3.936 40 0 KHABMO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940401 553638957 /nfs/dbraw/zinc/63/89/57/553638957.db2.gz HGICYNMQJZLQCU-MHZLTWQESA-N 1 1 513.646 3.936 40 0 KHABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)Nc1cccc(Cl)c1)OCO3 ZINC000019940484 553639222 /nfs/dbraw/zinc/63/92/22/553639222.db2.gz RTIICOJNHOTMLS-UHFFFAOYSA-N 1 1 515.035 3.832 40 0 KHABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000019940488 553639473 /nfs/dbraw/zinc/63/94/73/553639473.db2.gz YMRYFTGHSGLBFX-UHFFFAOYSA-N 1 1 524.643 3.577 40 0 KHABMO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(C)c1 ZINC000019940490 553639480 /nfs/dbraw/zinc/63/94/80/553639480.db2.gz QDGRVLSMZUFJAA-UHFFFAOYSA-N 1 1 508.644 3.795 40 0 KHABMO CCc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000019940547 553639446 /nfs/dbraw/zinc/63/94/46/553639446.db2.gz SNWMRILPTDSXST-UHFFFAOYSA-N 1 1 522.671 3.783 40 0 KHABMO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940588 553639712 /nfs/dbraw/zinc/63/97/12/553639712.db2.gz QSTZDXDJRZGSMS-MUUNZHRXSA-N 1 1 505.626 3.779 40 0 KHABMO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940589 553639699 /nfs/dbraw/zinc/63/96/99/553639699.db2.gz QSTZDXDJRZGSMS-NDEPHWFRSA-N 1 1 505.626 3.779 40 0 KHABMO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940640 553640215 /nfs/dbraw/zinc/64/02/15/553640215.db2.gz QNOTZVLHULQOAT-HHHXNRCGSA-N 1 1 513.646 3.936 40 0 KHABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940641 553640152 /nfs/dbraw/zinc/64/01/52/553640152.db2.gz QNOTZVLHULQOAT-MHZLTWQESA-N 1 1 513.646 3.936 40 0 KHABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019941369 553643926 /nfs/dbraw/zinc/64/39/26/553643926.db2.gz NXQGUJRNOSXVGT-MUUNZHRXSA-N 1 1 523.616 3.918 40 0 KHABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019941370 553643875 /nfs/dbraw/zinc/64/38/75/553643875.db2.gz NXQGUJRNOSXVGT-NDEPHWFRSA-N 1 1 523.616 3.918 40 0 KHABMO Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019941489 553644503 /nfs/dbraw/zinc/64/45/03/553644503.db2.gz FTSNAZMVRZUBAY-MUUNZHRXSA-N 1 1 523.616 3.918 40 0 KHABMO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019941490 553644527 /nfs/dbraw/zinc/64/45/27/553644527.db2.gz FTSNAZMVRZUBAY-NDEPHWFRSA-N 1 1 523.616 3.918 40 0 KHABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019973345 553652328 /nfs/dbraw/zinc/65/23/28/553652328.db2.gz NEHSMRMOOSXSBN-RUZDIDTESA-N 1 1 501.635 3.576 40 0 biogenic,in-vitro KHABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019973346 553652291 /nfs/dbraw/zinc/65/22/91/553652291.db2.gz NEHSMRMOOSXSBN-VWLOTQADSA-N 1 1 501.635 3.576 40 0 biogenic,in-vitro KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1 ZINC000020037267 553668020 /nfs/dbraw/zinc/66/80/20/553668020.db2.gz RHNYSPMPPCEBEX-UHFFFAOYSA-N 1 1 529.666 3.617 40 0 KHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020080389 553678560 /nfs/dbraw/zinc/67/85/60/553678560.db2.gz CKUVOAMSOSCKJI-VWLOTQADSA-N 1 1 501.635 3.576 40 0 KHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020080392 553678604 /nfs/dbraw/zinc/67/86/04/553678604.db2.gz CKUVOAMSOSCKJI-RUZDIDTESA-N 1 1 501.635 3.576 40 0 KHABMO COc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000020080775 553679492 /nfs/dbraw/zinc/67/94/92/553679492.db2.gz VQTBMYRATQTJQC-HHHXNRCGSA-N 1 1 529.645 3.554 40 0 KHABMO COc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000020080779 553679439 /nfs/dbraw/zinc/67/94/39/553679439.db2.gz VQTBMYRATQTJQC-MHZLTWQESA-N 1 1 529.645 3.554 40 0 KHABMO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1)OCO3 ZINC000020081098 553680259 /nfs/dbraw/zinc/68/02/59/553680259.db2.gz GCUWTVCHZDTOIM-HHHXNRCGSA-N 1 1 527.629 3.656 40 0 KHABMO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1)OCO3 ZINC000020081101 553680205 /nfs/dbraw/zinc/68/02/05/553680205.db2.gz GCUWTVCHZDTOIM-MHZLTWQESA-N 1 1 527.629 3.656 40 0 KHABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc(Cl)cc1)C(=S)NCCC[NH+]1CCOCC1)OCO3 ZINC000020081404 553680267 /nfs/dbraw/zinc/68/02/67/553680267.db2.gz QUTIBQUBOZDSFG-UHFFFAOYSA-N 1 1 529.062 3.509 40 0 KHABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)c1ccc(F)cc1 ZINC000020082024 553680964 /nfs/dbraw/zinc/68/09/64/553680964.db2.gz YBVHESYSSAYZPC-UHFFFAOYSA-N 1 1 504.628 3.884 40 0 KHABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1F ZINC000020082035 553680913 /nfs/dbraw/zinc/68/09/13/553680913.db2.gz RTFZDHJBQNTLJI-UHFFFAOYSA-N 1 1 504.628 3.884 40 0 KHABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C(C)(C)C)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1 ZINC000020083396 553683946 /nfs/dbraw/zinc/68/39/46/553683946.db2.gz PQROHZIRCWHOCF-AREMUKBSSA-N 1 1 515.662 3.802 40 0 KHABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C(C)(C)C)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1 ZINC000020083399 553683925 /nfs/dbraw/zinc/68/39/25/553683925.db2.gz PQROHZIRCWHOCF-SANMLTNESA-N 1 1 515.662 3.802 40 0 KHABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C(C)(C)C)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000020083688 553684472 /nfs/dbraw/zinc/68/44/72/553684472.db2.gz TYEPXMQCLXVLBL-AREMUKBSSA-N 1 1 515.662 3.802 40 0 KHABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C(C)(C)C)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000020083692 553684449 /nfs/dbraw/zinc/68/44/49/553684449.db2.gz TYEPXMQCLXVLBL-SANMLTNESA-N 1 1 515.662 3.802 40 0 KHABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC ZINC000020109238 553691979 /nfs/dbraw/zinc/69/19/79/553691979.db2.gz CAURDSOMSVQQGE-UHFFFAOYSA-N 1 1 515.010 3.955 40 0 KHABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2cc1OC ZINC000020109240 553692000 /nfs/dbraw/zinc/69/20/00/553692000.db2.gz CJULWGWZMDUOLB-UHFFFAOYSA-N 1 1 515.010 3.955 40 0 KHABMO O=C(Nc1ccccc1Cl)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000020109254 553692381 /nfs/dbraw/zinc/69/23/81/553692381.db2.gz IWFQJDMKFDMAEZ-UHFFFAOYSA-N 1 1 512.994 3.709 40 0 KHABMO O=C(Nc1cccc(Cl)c1)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000020109255 553692398 /nfs/dbraw/zinc/69/23/98/553692398.db2.gz RXBKMZQTIQKYGU-UHFFFAOYSA-N 1 1 512.994 3.709 40 0 KHABMO O=C(Nc1ccc(Cl)cc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000020109256 553692371 /nfs/dbraw/zinc/69/23/71/553692371.db2.gz FFYPCIDIRUHMQH-UHFFFAOYSA-N 1 1 512.994 3.709 40 0 KHABMO CC[C@H](c1nnnn1Cc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109420 553692986 /nfs/dbraw/zinc/69/29/86/553692986.db2.gz YOEDIVGFTIIGES-HHHXNRCGSA-N 1 1 529.689 3.855 40 0 KHABMO CC[C@@H](c1nnnn1Cc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109421 553692931 /nfs/dbraw/zinc/69/29/31/553692931.db2.gz YOEDIVGFTIIGES-MHZLTWQESA-N 1 1 529.689 3.855 40 0 KHABMO COc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000020234333 553620339 /nfs/dbraw/zinc/62/03/39/553620339.db2.gz LSIIZVFJSKPKPO-UHFFFAOYSA-N 1 1 514.047 3.888 40 0 KHABMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000020234761 553620900 /nfs/dbraw/zinc/62/09/00/553620900.db2.gz AHYRETFAEBXTIS-UHFFFAOYSA-N 1 1 514.047 3.888 40 0 KHABMO CCOc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000020235692 553622202 /nfs/dbraw/zinc/62/22/02/553622202.db2.gz VPUBJZWFZVRYBQ-UHFFFAOYSA-N 1 1 507.656 3.933 40 0 KHABMO CCOc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020235729 553622565 /nfs/dbraw/zinc/62/25/65/553622565.db2.gz KIZMOWJCHOAYIL-UHFFFAOYSA-N 1 1 507.656 3.933 40 0 KHABMO COc1ccc(OC)c(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020235970 553622730 /nfs/dbraw/zinc/62/27/30/553622730.db2.gz FJPLWYPJMLADHR-UHFFFAOYSA-N 1 1 523.655 3.552 40 0 KHABMO CCOc1ccccc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000020237033 553623580 /nfs/dbraw/zinc/62/35/80/553623580.db2.gz PEPFBPSGDHAALV-UHFFFAOYSA-N 1 1 507.656 3.785 40 0 KHABMO COc1ccc(C)cc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000020237344 553624075 /nfs/dbraw/zinc/62/40/75/553624075.db2.gz BLFFCVOPBOQKQC-UHFFFAOYSA-N 1 1 507.656 3.703 40 0 KHABMO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)cc2)cc1OC ZINC000020451292 553651320 /nfs/dbraw/zinc/65/13/20/553651320.db2.gz FBAFTAOBVLPLOR-UHFFFAOYSA-N 1 1 520.611 3.953 40 0 KHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000020455856 553652949 /nfs/dbraw/zinc/65/29/49/553652949.db2.gz KDXSDIZJGXULNY-SANMLTNESA-N 1 1 502.596 3.595 40 0 KHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000020455858 553652918 /nfs/dbraw/zinc/65/29/18/553652918.db2.gz KDXSDIZJGXULNY-AREMUKBSSA-N 1 1 502.596 3.595 40 0 KHABMO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccccc2)cc1OC ZINC000020456083 553653167 /nfs/dbraw/zinc/65/31/67/553653167.db2.gz PPVSRFAYJLNKPB-UHFFFAOYSA-N 1 1 520.611 3.710 40 0 KHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 ZINC000020460048 553654925 /nfs/dbraw/zinc/65/49/25/553654925.db2.gz XFMNEBPJUXBFKM-SANMLTNESA-N 1 1 502.596 3.762 40 0 KHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 ZINC000020460049 553654930 /nfs/dbraw/zinc/65/49/30/553654930.db2.gz XFMNEBPJUXBFKM-AREMUKBSSA-N 1 1 502.596 3.762 40 0 KHABMO COC[C@H]1CCC[N@H+]1[C@H]1[C@@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020464704 553656847 /nfs/dbraw/zinc/65/68/47/553656847.db2.gz FXMQZEPAPMENGX-PUHDZGQXSA-N 1 1 509.474 3.596 40 0 biogenic,in-vitro KHABMO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000020492513 553665781 /nfs/dbraw/zinc/66/57/81/553665781.db2.gz QJOZWFDGGPCGSN-UHFFFAOYSA-N 1 1 520.611 3.710 40 0 KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000020495834 553667649 /nfs/dbraw/zinc/66/76/49/553667649.db2.gz YSOKAMAQHXLXSE-UHFFFAOYSA-N 1 1 500.930 3.935 40 0 KHABMO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000020529916 553669666 /nfs/dbraw/zinc/66/96/66/553669666.db2.gz LHHXBHJXIBCRJP-UHFFFAOYSA-N 1 1 509.628 3.513 40 0 KHABMO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1 ZINC000022061375 553725155 /nfs/dbraw/zinc/72/51/55/553725155.db2.gz QEQWNPDNPZKKNH-UHFFFAOYSA-N 1 1 509.614 3.829 40 0 in-vitro KHABMO Cc1ccc(CN(c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)S(C)(=O)=O)cc1 ZINC000022231801 553728204 /nfs/dbraw/zinc/72/82/04/553728204.db2.gz CILDRHGMHUDBKJ-UHFFFAOYSA-N 1 1 507.656 3.684 40 0 KHABMO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022232742 553729048 /nfs/dbraw/zinc/72/90/48/553729048.db2.gz XXKLGLQQCKNKRN-UHFFFAOYSA-N 1 1 511.619 3.515 40 0 KHABMO CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022233696 553729542 /nfs/dbraw/zinc/72/95/42/553729542.db2.gz DYOUNEICJUPWRU-UHFFFAOYSA-N 1 1 511.619 3.515 40 0 KHABMO Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000022246513 553729702 /nfs/dbraw/zinc/72/97/02/553729702.db2.gz FFDRGVNCSNXWDG-MHZLTWQESA-N 1 1 505.684 3.846 40 0 KHABMO Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000022246516 553729690 /nfs/dbraw/zinc/72/96/90/553729690.db2.gz FFDRGVNCSNXWDG-HHHXNRCGSA-N 1 1 505.684 3.846 40 0 KHABMO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000022246773 553730066 /nfs/dbraw/zinc/73/00/66/553730066.db2.gz LHXZOFRHACPRHF-VWLOTQADSA-N 1 1 528.074 3.583 40 0 KHABMO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000022246776 553730108 /nfs/dbraw/zinc/73/01/08/553730108.db2.gz LHXZOFRHACPRHF-RUZDIDTESA-N 1 1 528.074 3.583 40 0 KHABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000022247405 553730597 /nfs/dbraw/zinc/73/05/97/553730597.db2.gz MAOWAWBBDHAWCN-MHZLTWQESA-N 1 1 521.683 3.628 40 0 KHABMO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000022247408 553730619 /nfs/dbraw/zinc/73/06/19/553730619.db2.gz MAOWAWBBDHAWCN-HHHXNRCGSA-N 1 1 521.683 3.628 40 0 KHABMO COc1ccc(OC)c(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccccc2)c1 ZINC000022428869 553739214 /nfs/dbraw/zinc/73/92/14/553739214.db2.gz VOGSLYYXHIAQPG-UHFFFAOYSA-N 1 1 520.611 3.710 40 0 KHABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2OC)cc1 ZINC000022527430 553744941 /nfs/dbraw/zinc/74/49/41/553744941.db2.gz DDZIDDRXRNVHCS-UHFFFAOYSA-N 1 1 520.611 3.710 40 0 KHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000022527928 553745185 /nfs/dbraw/zinc/74/51/85/553745185.db2.gz JHFUNFXQNHOKGL-UHFFFAOYSA-N 1 1 500.930 3.935 40 0 KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000022528258 553745139 /nfs/dbraw/zinc/74/51/39/553745139.db2.gz AQDUCKOIQXJVGU-SANMLTNESA-N 1 1 502.596 3.595 40 0 KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000022528264 553745196 /nfs/dbraw/zinc/74/51/96/553745196.db2.gz AQDUCKOIQXJVGU-AREMUKBSSA-N 1 1 502.596 3.595 40 0 KHABMO CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)[NH+]1CCN([C@H](c2ccccc2)C(C(=O)OCC)C(=O)OCC)CC1 ZINC000022584181 553747283 /nfs/dbraw/zinc/74/72/83/553747283.db2.gz OFDRRDVIJWPPMY-HNRBIFIRSA-N 1 1 582.694 3.571 40 0 KHABMO CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)C(C(=O)OCC)C(=O)OCC)CC1 ZINC000022584181 553747281 /nfs/dbraw/zinc/74/72/81/553747281.db2.gz OFDRRDVIJWPPMY-HNRBIFIRSA-N 1 1 582.694 3.571 40 0 KHABMO CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)C(C(=O)OCC)C(=O)OCC)CC1 ZINC000022584184 553747196 /nfs/dbraw/zinc/74/71/96/553747196.db2.gz OFDRRDVIJWPPMY-NSOVKSMOSA-N 1 1 582.694 3.571 40 0 KHABMO CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)C(C(=O)OCC)C(=O)OCC)CC1 ZINC000022584188 553747221 /nfs/dbraw/zinc/74/72/21/553747221.db2.gz OFDRRDVIJWPPMY-VSGBNLITSA-N 1 1 582.694 3.571 40 0 KHABMO O=S(=O)(NCCCN1CC[NH+](CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 ZINC000022585412 553747474 /nfs/dbraw/zinc/74/74/74/553747474.db2.gz LZRITSCFYVMBPK-UHFFFAOYSA-N 1 1 580.776 3.648 40 0 KHABMO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022785507 553749880 /nfs/dbraw/zinc/74/98/80/553749880.db2.gz PDFOMMWAXNOXFN-QHCPKHFHSA-N 1 1 515.654 3.791 40 0 KHABMO Cc1ccccc1C(=O)N/C(=C/c1ccc(-c2cccnc2Cl)o1)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000022797028 553751122 /nfs/dbraw/zinc/75/11/22/553751122.db2.gz FEEUQLPDCLBVSQ-LYBHJNIJSA-N 1 1 522.049 3.828 40 0 KHABMO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000022829663 553754436 /nfs/dbraw/zinc/75/44/36/553754436.db2.gz HCNVCYZFCYEURM-UHFFFAOYSA-N 1 1 520.699 3.758 40 0 KHABMO CC(C)(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022853671 553761826 /nfs/dbraw/zinc/76/18/26/553761826.db2.gz PDFOMMWAXNOXFN-HSZRJFAPSA-N 1 1 515.654 3.791 40 0 KHABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866278 553763498 /nfs/dbraw/zinc/76/34/98/553763498.db2.gz PUWPUMHRZJIPKW-NDEPHWFRSA-N 1 1 543.672 3.944 40 0 KHABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022866326 553763451 /nfs/dbraw/zinc/76/34/51/553763451.db2.gz YHSYLKDZCWCDQB-LJAQVGFWSA-N 1 1 535.652 3.869 40 0 KHABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866338 553763453 /nfs/dbraw/zinc/76/34/53/553763453.db2.gz PUWPUMHRZJIPKW-MUUNZHRXSA-N 1 1 543.672 3.944 40 0 KHABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022866378 553763685 /nfs/dbraw/zinc/76/36/85/553763685.db2.gz YHSYLKDZCWCDQB-GDLZYMKVSA-N 1 1 535.652 3.869 40 0 KHABMO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000022867558 553764139 /nfs/dbraw/zinc/76/41/39/553764139.db2.gz QYOHVMOFCHCVIE-NDEPHWFRSA-N 1 1 543.672 3.944 40 0 KHABMO COc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000022867577 553764082 /nfs/dbraw/zinc/76/40/82/553764082.db2.gz QYOHVMOFCHCVIE-MUUNZHRXSA-N 1 1 543.672 3.944 40 0 KHABMO COc1ccc(C[NH+]2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867596 553764108 /nfs/dbraw/zinc/76/41/08/553764108.db2.gz RZGYBDGRTRMJEY-NDEPHWFRSA-N 1 1 543.672 3.944 40 0 KHABMO COc1ccc(C[NH+]2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867609 553764350 /nfs/dbraw/zinc/76/43/50/553764350.db2.gz RZGYBDGRTRMJEY-MUUNZHRXSA-N 1 1 543.672 3.944 40 0 KHABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022869292 553764379 /nfs/dbraw/zinc/76/43/79/553764379.db2.gz WBNFLGYAGDUQHA-NDEPHWFRSA-N 1 1 539.615 3.618 40 0 KHABMO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022869342 553764482 /nfs/dbraw/zinc/76/44/82/553764482.db2.gz WBNFLGYAGDUQHA-MUUNZHRXSA-N 1 1 539.615 3.618 40 0 KHABMO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869367 553764653 /nfs/dbraw/zinc/76/46/53/553764653.db2.gz OZJCQWFQRCEGIX-NDEPHWFRSA-N 1 1 539.615 3.618 40 0 KHABMO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869391 553764727 /nfs/dbraw/zinc/76/47/27/553764727.db2.gz OZJCQWFQRCEGIX-MUUNZHRXSA-N 1 1 539.615 3.618 40 0 KHABMO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022871708 553765576 /nfs/dbraw/zinc/76/55/76/553765576.db2.gz JMONGPCZKVMROL-LJAQVGFWSA-N 1 1 535.652 3.787 40 0 KHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022871755 553765510 /nfs/dbraw/zinc/76/55/10/553765510.db2.gz JMONGPCZKVMROL-GDLZYMKVSA-N 1 1 535.652 3.787 40 0 KHABMO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022871831 553765806 /nfs/dbraw/zinc/76/58/06/553765806.db2.gz PQYFCOQITBNMQY-LJAQVGFWSA-N 1 1 535.652 3.787 40 0 KHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022871884 553765862 /nfs/dbraw/zinc/76/58/62/553765862.db2.gz PQYFCOQITBNMQY-GDLZYMKVSA-N 1 1 535.652 3.787 40 0 KHABMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc(C)c1Cl ZINC000022914621 553766500 /nfs/dbraw/zinc/76/65/00/553766500.db2.gz XUKPAAVJMUCGLB-QFIPXVFZSA-N 1 1 522.045 3.764 40 0 KHABMO Cc1cc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc(C)c1Cl ZINC000022914626 553766565 /nfs/dbraw/zinc/76/65/65/553766565.db2.gz XUKPAAVJMUCGLB-JOCHJYFZSA-N 1 1 522.045 3.764 40 0 KHABMO CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000022914632 553766355 /nfs/dbraw/zinc/76/63/55/553766355.db2.gz HABUFJOXZBRVSS-DEOSSOPVSA-N 1 1 501.627 3.617 40 0 KHABMO CC(C)c1ccc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000022914637 553766400 /nfs/dbraw/zinc/76/64/00/553766400.db2.gz HABUFJOXZBRVSS-XMMPIXPASA-N 1 1 501.627 3.617 40 0 KHABMO CCN(c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000023227878 553771582 /nfs/dbraw/zinc/77/15/82/553771582.db2.gz HJALJPAXITXUCE-UHFFFAOYSA-N 1 1 507.656 3.785 40 0 KHABMO CN(C)S(=O)(=O)N(Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1F ZINC000023510860 553787242 /nfs/dbraw/zinc/78/72/42/553787242.db2.gz XWZRNRSMGWDUJW-UHFFFAOYSA-N 1 1 510.635 3.597 40 0 KHABMO CCCNS(=O)(=O)c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000023510933 553787331 /nfs/dbraw/zinc/78/73/31/553787331.db2.gz WMWKNEAJVSNYAO-UHFFFAOYSA-N 1 1 507.656 3.931 40 0 KHABMO COc1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000025767187 553813354 /nfs/dbraw/zinc/81/33/54/553813354.db2.gz RTMXPLIHGVGGGE-UHFFFAOYSA-N 1 1 523.655 3.552 40 0 KHABMO CC[NH+]1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000025767208 553813287 /nfs/dbraw/zinc/81/32/87/553813287.db2.gz WXSIUXFCZFWZGA-UHFFFAOYSA-N 1 1 500.448 3.670 40 0 KHABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc(C)c1 ZINC000025767229 553813313 /nfs/dbraw/zinc/81/33/13/553813313.db2.gz ISQLONWIEAKLNE-UHFFFAOYSA-N 1 1 507.656 3.852 40 0 KHABMO CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000025767243 553813317 /nfs/dbraw/zinc/81/33/17/553813317.db2.gz DKMMWLNUKOPPMW-UHFFFAOYSA-N 1 1 521.683 3.948 40 0 KHABMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2)cc1C ZINC000025767254 553813366 /nfs/dbraw/zinc/81/33/66/553813366.db2.gz SBBOSRRKCNFROI-UHFFFAOYSA-N 1 1 521.683 3.929 40 0 KHABMO O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026108676 553814299 /nfs/dbraw/zinc/81/42/99/553814299.db2.gz YFZWBYKNUVYRGW-UHFFFAOYSA-N 1 1 510.487 3.880 40 0 KHABMO O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026108932 553814754 /nfs/dbraw/zinc/81/47/54/553814754.db2.gz IJYPPAPQWHMHPG-UHFFFAOYSA-N 1 1 510.487 3.880 40 0 KHABMO O=C(C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026109215 553814800 /nfs/dbraw/zinc/81/48/00/553814800.db2.gz PQPCGDNSHVFRON-UHFFFAOYSA-N 1 1 510.487 3.880 40 0 KHABMO O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026109577 553814706 /nfs/dbraw/zinc/81/47/06/553814706.db2.gz KOPZCTOVHQIEDO-HXUWFJFHSA-N 1 1 510.487 3.880 40 0 KHABMO O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026109585 553814738 /nfs/dbraw/zinc/81/47/38/553814738.db2.gz KOPZCTOVHQIEDO-FQEVSTJZSA-N 1 1 510.487 3.880 40 0 KHABMO O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026110082 553815124 /nfs/dbraw/zinc/81/51/24/553815124.db2.gz MRZORMZHDJOJMR-OAQYLSRUSA-N 1 1 510.487 3.880 40 0 KHABMO O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026110089 553815024 /nfs/dbraw/zinc/81/50/24/553815024.db2.gz MRZORMZHDJOJMR-NRFANRHFSA-N 1 1 510.487 3.880 40 0 KHABMO O=C([C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026110575 553815264 /nfs/dbraw/zinc/81/52/64/553815264.db2.gz VJKVKCPCLVBANL-HXUWFJFHSA-N 1 1 510.487 3.880 40 0 KHABMO O=C([C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026110581 553815302 /nfs/dbraw/zinc/81/53/02/553815302.db2.gz VJKVKCPCLVBANL-FQEVSTJZSA-N 1 1 510.487 3.880 40 0 KHABMO CCS(=O)(=O)N1C[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)Oc2ccccc21 ZINC000026112748 553815628 /nfs/dbraw/zinc/81/56/28/553815628.db2.gz HFAYPWTYFSOHCP-SANMLTNESA-N 1 1 505.640 3.538 40 0 KHABMO CCS(=O)(=O)N1C[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)Oc2ccccc21 ZINC000026112754 553815653 /nfs/dbraw/zinc/81/56/53/553815653.db2.gz HFAYPWTYFSOHCP-AREMUKBSSA-N 1 1 505.640 3.538 40 0 KHABMO O=C([C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026113650 553815896 /nfs/dbraw/zinc/81/58/96/553815896.db2.gz AMUBBLHBRWSKRY-VWLOTQADSA-N 1 1 512.031 3.641 40 0 KHABMO O=C([C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026113657 553815883 /nfs/dbraw/zinc/81/58/83/553815883.db2.gz AMUBBLHBRWSKRY-RUZDIDTESA-N 1 1 512.031 3.641 40 0 KHABMO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CC[NH+](CCNS(C)(=O)=O)CC2)cc(OC)c1 ZINC000026267226 553818264 /nfs/dbraw/zinc/81/82/64/553818264.db2.gz BKVIWGRFRKLFIO-UHFFFAOYSA-N 1 1 554.109 3.743 40 0 in-vitro KHABMO Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028207522 553838061 /nfs/dbraw/zinc/83/80/61/553838061.db2.gz AWHGEUAXWSJXGJ-UHFFFAOYSA-N 1 1 507.656 3.558 40 0 KHABMO CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000028208019 553838089 /nfs/dbraw/zinc/83/80/89/553838089.db2.gz PHIFIUJMMSZKLX-UHFFFAOYSA-N 1 1 528.074 3.903 40 0 KHABMO Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028209585 553838900 /nfs/dbraw/zinc/83/89/00/553838900.db2.gz AFBIUOARVBEKOJ-AREMUKBSSA-N 1 1 517.651 3.609 40 0 KHABMO Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028209588 553838993 /nfs/dbraw/zinc/83/89/93/553838993.db2.gz AFBIUOARVBEKOJ-SANMLTNESA-N 1 1 517.651 3.609 40 0 KHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000030847656 553857526 /nfs/dbraw/zinc/85/75/26/553857526.db2.gz BMWIXNUOSWWKIK-UHFFFAOYSA-N 1 1 504.612 3.842 40 0 KHABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccc(F)cc2)cc1 ZINC000030855537 553858540 /nfs/dbraw/zinc/85/85/40/553858540.db2.gz CCWYLFNQKXZHAF-UHFFFAOYSA-N 1 1 508.575 3.840 40 0 KHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000030865654 553859856 /nfs/dbraw/zinc/85/98/56/553859856.db2.gz WVZZSDWSXIXTSC-UHFFFAOYSA-N 1 1 529.666 3.617 40 0 KHABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000033937019 553978140 /nfs/dbraw/zinc/97/81/40/553978140.db2.gz WHPVSYJLEHUPCT-GGAORHGYSA-N 1 1 508.623 3.751 40 0 KHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000033937020 553978302 /nfs/dbraw/zinc/97/83/02/553978302.db2.gz WHPVSYJLEHUPCT-FYYLOGMGSA-N 1 1 508.623 3.751 40 0 KHABMO CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937338 553979566 /nfs/dbraw/zinc/97/95/66/553979566.db2.gz AJQHLEMOKARVOC-KCWPFWIISA-N 1 1 530.629 3.864 40 0 KHABMO CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937338 553979564 /nfs/dbraw/zinc/97/95/64/553979564.db2.gz AJQHLEMOKARVOC-KCWPFWIISA-N 1 1 530.629 3.864 40 0 KHABMO CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937339 553979580 /nfs/dbraw/zinc/97/95/80/553979580.db2.gz AJQHLEMOKARVOC-YIXXDRMTSA-N 1 1 530.629 3.864 40 0 KHABMO CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937339 553979579 /nfs/dbraw/zinc/97/95/79/553979579.db2.gz AJQHLEMOKARVOC-YIXXDRMTSA-N 1 1 530.629 3.864 40 0 KHABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000035088541 554034410 /nfs/dbraw/zinc/03/44/10/554034410.db2.gz JBIRYDAXOMIZNL-UHFFFAOYSA-N 1 1 507.656 3.539 40 0 KHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843207 554081503 /nfs/dbraw/zinc/08/15/03/554081503.db2.gz MYUKAGCSYARXIH-YTSMVRMISA-N 1 1 500.780 3.842 40 0 KHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843207 554081501 /nfs/dbraw/zinc/08/15/01/554081501.db2.gz MYUKAGCSYARXIH-YTSMVRMISA-N 1 1 500.780 3.842 40 0 KHABMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369499 554224252 /nfs/dbraw/zinc/22/42/52/554224252.db2.gz CWWJSEGCCZBEOE-WQDFEKRYSA-N 1 1 516.682 3.783 40 0 KHABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2)cc1OC ZINC000038753705 554275764 /nfs/dbraw/zinc/27/57/64/554275764.db2.gz ODPHLOQVPPUZJM-UHFFFAOYSA-N 1 1 520.611 3.710 40 0 KHABMO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3C)cc2)cc1OC ZINC000038771448 554277270 /nfs/dbraw/zinc/27/72/70/554277270.db2.gz YLLDRIDHLISXDG-UHFFFAOYSA-N 1 1 520.611 3.953 40 0 KHABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccccc2OC)cc1 ZINC000038771580 554277253 /nfs/dbraw/zinc/27/72/53/554277253.db2.gz UYNHXFQJBNNTBG-UHFFFAOYSA-N 1 1 520.611 3.710 40 0 KHABMO CS(=O)(=O)N1C[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)Oc2ccc(Cl)cc21 ZINC000038858083 554278320 /nfs/dbraw/zinc/27/83/20/554278320.db2.gz DVUYNXJJEWKIMJ-RUZDIDTESA-N 1 1 526.058 3.801 40 0 KHABMO CS(=O)(=O)N1C[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)Oc2ccc(Cl)cc21 ZINC000038858086 554278347 /nfs/dbraw/zinc/27/83/47/554278347.db2.gz DVUYNXJJEWKIMJ-VWLOTQADSA-N 1 1 526.058 3.801 40 0 KHABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985400 554281972 /nfs/dbraw/zinc/28/19/72/554281972.db2.gz VMYHHMNPIARQJV-UHFFFAOYSA-N 1 1 507.656 3.640 40 0 KHABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985704 554281932 /nfs/dbraw/zinc/28/19/32/554281932.db2.gz BDTOARSGVRQUKH-UHFFFAOYSA-N 1 1 521.683 3.948 40 0 KHABMO CCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000039986692 554282207 /nfs/dbraw/zinc/28/22/07/554282207.db2.gz FDJLFLFLSDTXLE-UHFFFAOYSA-N 1 1 507.656 3.688 40 0 KHABMO O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)[C@H]1N=C(N2CC[NH+](Cc3ccccc3)CC2)NC1=O ZINC000040385285 554283476 /nfs/dbraw/zinc/28/34/76/554283476.db2.gz QRBFRFKNJWSUCG-JWQCQUIFSA-N 1 1 502.018 3.735 40 0 KHABMO O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)[C@@H]1N=C(N2CC[NH+](Cc3ccccc3)CC2)NC1=O ZINC000040385289 554283446 /nfs/dbraw/zinc/28/34/46/554283446.db2.gz QRBFRFKNJWSUCG-RPBOFIJWSA-N 1 1 502.018 3.735 40 0 KHABMO O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)[C@H]1N=C(N2CC[NH+](Cc3ccccc3)CC2)NC1=O ZINC000040385292 554283469 /nfs/dbraw/zinc/28/34/69/554283469.db2.gz QRBFRFKNJWSUCG-LOSJGSFVSA-N 1 1 502.018 3.735 40 0 KHABMO O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)[C@@H]1N=C(N2CC[NH+](Cc3ccccc3)CC2)NC1=O ZINC000040385295 554283520 /nfs/dbraw/zinc/28/35/20/554283520.db2.gz QRBFRFKNJWSUCG-DQEYMECFSA-N 1 1 502.018 3.735 40 0 KHABMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000044802673 554303258 /nfs/dbraw/zinc/30/32/58/554303258.db2.gz WCLPVKSJOVSIJM-UHFFFAOYSA-N 1 1 523.655 3.552 40 0 KHABMO COc1ccc(C)cc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000044802784 554303531 /nfs/dbraw/zinc/30/35/31/554303531.db2.gz MSSSFJICANXTNJ-UHFFFAOYSA-N 1 1 507.656 3.852 40 0 KHABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccccc2)cc1OC ZINC000044848229 554304764 /nfs/dbraw/zinc/30/47/64/554304764.db2.gz RXPIQKXMXNJVFH-UHFFFAOYSA-N 1 1 520.611 3.710 40 0 KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000044848929 554304856 /nfs/dbraw/zinc/30/48/56/554304856.db2.gz DFIGLQDNLXQRDE-UHFFFAOYSA-N 1 1 500.930 3.935 40 0 KHABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000044884530 554307802 /nfs/dbraw/zinc/30/78/02/554307802.db2.gz OUMIKMQQYVXDCR-UHFFFAOYSA-N 1 1 508.575 3.840 40 0 KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)cc1 ZINC000044885632 554308236 /nfs/dbraw/zinc/30/82/36/554308236.db2.gz VTNAUHOBOHIEEI-AREMUKBSSA-N 1 1 502.596 3.762 40 0 KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)cc1 ZINC000044885635 554308187 /nfs/dbraw/zinc/30/81/87/554308187.db2.gz VTNAUHOBOHIEEI-SANMLTNESA-N 1 1 502.596 3.762 40 0 KHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000044900340 554308565 /nfs/dbraw/zinc/30/85/65/554308565.db2.gz AWJLFKXZOPMGHF-JOCHJYFZSA-N 1 1 514.530 3.762 40 0 KHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000044900341 554308572 /nfs/dbraw/zinc/30/85/72/554308572.db2.gz AWJLFKXZOPMGHF-QFIPXVFZSA-N 1 1 514.530 3.762 40 0 KHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000044901617 554309093 /nfs/dbraw/zinc/30/90/93/554309093.db2.gz WODDVLUPYJVPTE-JOCHJYFZSA-N 1 1 514.530 3.762 40 0 KHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000044901619 554309137 /nfs/dbraw/zinc/30/91/37/554309137.db2.gz WODDVLUPYJVPTE-QFIPXVFZSA-N 1 1 514.530 3.762 40 0 KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000044950075 554310825 /nfs/dbraw/zinc/31/08/25/554310825.db2.gz IXBLLHYGNCJUIJ-UHFFFAOYSA-N 1 1 504.612 3.842 40 0 KHABMO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)[N@@H+](C)C2CCCCC2)cc1 ZINC000057594995 554358652 /nfs/dbraw/zinc/35/86/52/554358652.db2.gz NUWONRKGNYGUCM-SANMLTNESA-N 1 1 518.618 3.943 40 0 KHABMO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)[N@H+](C)C2CCCCC2)cc1 ZINC000057594995 554358649 /nfs/dbraw/zinc/35/86/49/554358649.db2.gz NUWONRKGNYGUCM-SANMLTNESA-N 1 1 518.618 3.943 40 0 KHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)[N@@H+](C)C2CCCCC2)cc1 ZINC000057595001 554358522 /nfs/dbraw/zinc/35/85/22/554358522.db2.gz NUWONRKGNYGUCM-AREMUKBSSA-N 1 1 518.618 3.943 40 0 KHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)[N@H+](C)C2CCCCC2)cc1 ZINC000057595001 554358518 /nfs/dbraw/zinc/35/85/18/554358518.db2.gz NUWONRKGNYGUCM-AREMUKBSSA-N 1 1 518.618 3.943 40 0 KHABMO COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059852949 554453242 /nfs/dbraw/zinc/45/32/42/554453242.db2.gz YSKANCNPFWDOPM-UHFFFAOYSA-N 1 1 580.663 3.727 40 0 KHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000059922982 554472665 /nfs/dbraw/zinc/47/26/65/554472665.db2.gz FAIKSCVMIFERQY-UHFFFAOYSA-N 1 1 536.585 3.603 40 0 KHABMO COc1ccc(OC)c(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059923619 554473683 /nfs/dbraw/zinc/47/36/83/554473683.db2.gz BBDFYYAJXQWCMF-UHFFFAOYSA-N 1 1 580.663 3.727 40 0 KHABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000059930133 554479369 /nfs/dbraw/zinc/47/93/69/554479369.db2.gz LWVMNJNOGVABJT-SANMLTNESA-N 1 1 542.101 3.973 40 0 KHABMO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000059930137 554479277 /nfs/dbraw/zinc/47/92/77/554479277.db2.gz LWVMNJNOGVABJT-AREMUKBSSA-N 1 1 542.101 3.973 40 0 KHABMO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059930386 554479917 /nfs/dbraw/zinc/47/99/17/554479917.db2.gz MKZSKFGUOMXJDT-UHFFFAOYSA-N 1 1 570.111 3.674 40 0 KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000060028201 554491175 /nfs/dbraw/zinc/49/11/75/554491175.db2.gz LJMRYWUBDLHHQW-UHFFFAOYSA-N 1 1 531.476 3.801 40 0 KHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000060060091 554498394 /nfs/dbraw/zinc/49/83/94/554498394.db2.gz CWKTWLCVVQYQMA-UHFFFAOYSA-N 1 1 531.476 3.801 40 0 KHABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccc(F)cc2)cc1OC ZINC000060060272 554498781 /nfs/dbraw/zinc/49/87/81/554498781.db2.gz KGSHIMDZLCCVNU-UHFFFAOYSA-N 1 1 538.601 3.849 40 0 KHABMO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000067870836 1066859014 /nfs/dbraw/zinc/85/90/14/1066859014.db2.gz PFRDGBFMHBILAL-QMDPOKHVSA-N 1 1 507.704 3.521 40 0 biogenic,in-vitro KHABMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000070680590 553604323 /nfs/dbraw/zinc/60/43/23/553604323.db2.gz CWWJSEGCCZBEOE-KPGFNNKTSA-N 1 1 516.682 3.783 40 0 KHABMO COc1cc(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@H](NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)c(C)c1C ZINC000071788244 553638311 /nfs/dbraw/zinc/63/83/11/553638311.db2.gz IWEQFKMYHIRURS-QFIPXVFZSA-N 1 1 576.716 3.840 40 0 KHABMO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(=O)N2Cc3ccccc3C2)CCN1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072105280 553640378 /nfs/dbraw/zinc/64/03/78/553640378.db2.gz VAHNMPYIDDIFGT-HRFSGMKKSA-N 1 1 518.608 3.847 40 0 KHABMO COc1cc(C=C2C[N@@H+](C)CC3C2=NC(=S)N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000073257898 553652313 /nfs/dbraw/zinc/65/23/13/553652313.db2.gz XTIAFHJEZZRZLA-KUCZMUFWSA-N 1 1 527.643 3.540 40 0 KHABMO COc1cc(C=C2C[N@H+](C)CC3C2=NC(=S)N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000073257898 553652310 /nfs/dbraw/zinc/65/23/10/553652310.db2.gz XTIAFHJEZZRZLA-KUCZMUFWSA-N 1 1 527.643 3.540 40 0 KHABMO Cc1c(O)cccc1C(=O)N[C@@H](C[S@@](=O)c1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000077311609 553662664 /nfs/dbraw/zinc/66/26/64/553662664.db2.gz RSOLVRGGAAUFHC-WDJNBTLJSA-N 1 1 583.795 3.763 40 0 in-vitro KHABMO Cc1c(O)cccc1C(=O)N[C@@H](C[S@@](=O)c1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000077311609 553662662 /nfs/dbraw/zinc/66/26/62/553662662.db2.gz RSOLVRGGAAUFHC-WDJNBTLJSA-N 1 1 583.795 3.763 40 0 in-vitro KHABMO Cc1c(O)cccc1C(=O)N[C@@H](C[S@](=O)c1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000077311610 553662696 /nfs/dbraw/zinc/66/26/96/553662696.db2.gz RSOLVRGGAAUFHC-PJUWJFOCSA-N 1 1 583.795 3.763 40 0 in-vitro KHABMO Cc1c(O)cccc1C(=O)N[C@@H](C[S@](=O)c1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000077311610 553662694 /nfs/dbraw/zinc/66/26/94/553662694.db2.gz RSOLVRGGAAUFHC-PJUWJFOCSA-N 1 1 583.795 3.763 40 0 in-vitro KHABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@H]2C[C@@H](O)[C@H]1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000085641529 553685565 /nfs/dbraw/zinc/68/55/65/553685565.db2.gz ULKKVMYTACUXQA-RQWNKGIKSA-N 1 1 564.635 3.508 40 0 KHABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@H]2C[C@@H](O)[C@H]1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000085641529 553685560 /nfs/dbraw/zinc/68/55/60/553685560.db2.gz ULKKVMYTACUXQA-RQWNKGIKSA-N 1 1 564.635 3.508 40 0 KHABMO COC(=O)[C@@H]1[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H](O)C[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000085641531 553685539 /nfs/dbraw/zinc/68/55/39/553685539.db2.gz ULKKVMYTACUXQA-QYSLGSJRSA-N 1 1 564.635 3.508 40 0 KHABMO COC(=O)[C@@H]1[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H](O)C[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000085641531 553685537 /nfs/dbraw/zinc/68/55/37/553685537.db2.gz ULKKVMYTACUXQA-QYSLGSJRSA-N 1 1 564.635 3.508 40 0 KHABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@H]2C[C@H](O)[C@H]1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000085641535 553685626 /nfs/dbraw/zinc/68/56/26/553685626.db2.gz ULKKVMYTACUXQA-NHTQIRNSSA-N 1 1 564.635 3.508 40 0 KHABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@H]2C[C@H](O)[C@H]1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000085641535 553685624 /nfs/dbraw/zinc/68/56/24/553685624.db2.gz ULKKVMYTACUXQA-NHTQIRNSSA-N 1 1 564.635 3.508 40 0 KHABMO COC(=O)[C@@H]1[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H](O)C[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000085641539 553685598 /nfs/dbraw/zinc/68/55/98/553685598.db2.gz ULKKVMYTACUXQA-CBINOIRBSA-N 1 1 564.635 3.508 40 0 KHABMO COC(=O)[C@@H]1[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H](O)C[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000085641539 553685597 /nfs/dbraw/zinc/68/55/97/553685597.db2.gz ULKKVMYTACUXQA-CBINOIRBSA-N 1 1 564.635 3.508 40 0 KHABMO CC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc2O3)CC1 ZINC000096111962 553724392 /nfs/dbraw/zinc/72/43/92/553724392.db2.gz PDJRESRVOJVCTM-GMAHTHKFSA-N 1 1 503.521 3.965 40 0 biogenic,in-vitro KHABMO CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316359 553749523 /nfs/dbraw/zinc/74/95/23/553749523.db2.gz RQZDWSUDRWEDPG-SMXVUGKBSA-N 1 1 671.835 3.737 40 0 biogenic,in-vitro KHABMO CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316360 553749493 /nfs/dbraw/zinc/74/94/93/553749493.db2.gz RQZDWSUDRWEDPG-PNCJZBEVSA-N 1 1 671.835 3.737 40 0 biogenic,in-vitro KHABMO CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316361 553749372 /nfs/dbraw/zinc/74/93/72/553749372.db2.gz RQZDWSUDRWEDPG-FRMUODNWSA-N 1 1 671.835 3.737 40 0 biogenic,in-vitro KHABMO CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316362 553749412 /nfs/dbraw/zinc/74/94/12/553749412.db2.gz RQZDWSUDRWEDPG-NZHGTKCDSA-N 1 1 671.835 3.737 40 0 biogenic,in-vitro KHABMO Cc1ccc(Cn2c3nnc(CCC(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)n3c3ccccc3c2=O)cc1 ZINC000097986849 554026275 /nfs/dbraw/zinc/02/62/75/554026275.db2.gz IKCNKNBEIKNVQY-UHFFFAOYSA-N 1 1 581.696 3.801 40 0 KHABMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)CCc2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2)CC1 ZINC000097986867 554026317 /nfs/dbraw/zinc/02/63/17/554026317.db2.gz YHAWHALSXLINSC-UHFFFAOYSA-N 1 1 584.124 3.925 40 0 KHABMO O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000097986897 554026369 /nfs/dbraw/zinc/02/63/69/554026369.db2.gz DZRCSPXDTOPDGU-UHFFFAOYSA-N 1 1 585.659 3.632 40 0 KHABMO Cc1cccc(N2CC[NH+](CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4Cc3ccc(F)cc3)CC2)c1C ZINC000097986905 554026268 /nfs/dbraw/zinc/02/62/68/554026268.db2.gz YGNMCRBDKBRBHO-UHFFFAOYSA-N 1 1 581.696 3.719 40 0 KHABMO C[C@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000098006368 554061647 /nfs/dbraw/zinc/06/16/47/554061647.db2.gz WIUYFMVPBXWLAG-FLCULLBDSA-N 1 1 556.622 3.769 40 0 KHABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000100086659 554209281 /nfs/dbraw/zinc/20/92/81/554209281.db2.gz XWKOWAPIGQSJBP-UHFFFAOYSA-N 1 1 547.043 3.616 40 0 KHABMO C[C@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000100164658 554235782 /nfs/dbraw/zinc/23/57/82/554235782.db2.gz WIUYFMVPBXWLAG-ZSFNTHBTSA-N 1 1 556.622 3.769 40 0 KHABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(C4CCN(C(=O)OCC)CC4)CC3)C2=O)cc1 ZINC000100227738 554253861 /nfs/dbraw/zinc/25/38/61/554253861.db2.gz OWKKIVXWFQEHHJ-DEOSSOPVSA-N 1 1 513.635 3.856 40 0 KHABMO COC(=O)c1ccc(N2CCC([N@H+]3CC[C@@H](C(=O)NCC(=O)Nc4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000100279364 554276461 /nfs/dbraw/zinc/27/64/61/554276461.db2.gz LYVWXUBITSZUQP-LJQANCHMSA-N 1 1 532.563 3.538 40 0 KHABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000100354953 554334675 /nfs/dbraw/zinc/33/46/75/554334675.db2.gz APEVMGCVRPYEDH-LJAQVGFWSA-N 1 1 535.652 3.673 40 0 KHABMO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000100354955 554334741 /nfs/dbraw/zinc/33/47/41/554334741.db2.gz APEVMGCVRPYEDH-GDLZYMKVSA-N 1 1 535.652 3.673 40 0 KHABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371282 554356934 /nfs/dbraw/zinc/35/69/34/554356934.db2.gz YEEHIGKUNFDJSD-LJAQVGFWSA-N 1 1 559.715 3.864 40 0 KHABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371284 554356815 /nfs/dbraw/zinc/35/68/15/554356815.db2.gz YEEHIGKUNFDJSD-GDLZYMKVSA-N 1 1 559.715 3.864 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377258 554360392 /nfs/dbraw/zinc/36/03/92/554360392.db2.gz HSIXMXJLPMAJFU-QHCPKHFHSA-N 1 1 548.644 3.599 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377258 554360390 /nfs/dbraw/zinc/36/03/90/554360390.db2.gz HSIXMXJLPMAJFU-QHCPKHFHSA-N 1 1 548.644 3.599 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377263 554360328 /nfs/dbraw/zinc/36/03/28/554360328.db2.gz HSIXMXJLPMAJFU-HSZRJFAPSA-N 1 1 548.644 3.599 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377263 554360325 /nfs/dbraw/zinc/36/03/25/554360325.db2.gz HSIXMXJLPMAJFU-HSZRJFAPSA-N 1 1 548.644 3.599 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377332 554360583 /nfs/dbraw/zinc/36/05/83/554360583.db2.gz XJRRYXMWIXEYRO-DEOSSOPVSA-N 1 1 548.644 3.599 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377332 554360582 /nfs/dbraw/zinc/36/05/82/554360582.db2.gz XJRRYXMWIXEYRO-DEOSSOPVSA-N 1 1 548.644 3.599 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377336 554360641 /nfs/dbraw/zinc/36/06/41/554360641.db2.gz XJRRYXMWIXEYRO-XMMPIXPASA-N 1 1 548.644 3.599 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377336 554360638 /nfs/dbraw/zinc/36/06/38/554360638.db2.gz XJRRYXMWIXEYRO-XMMPIXPASA-N 1 1 548.644 3.599 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000100377453 554360695 /nfs/dbraw/zinc/36/06/95/554360695.db2.gz KAQBIACHLNWRMA-VWLOTQADSA-N 1 1 578.670 3.690 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000100377453 554360693 /nfs/dbraw/zinc/36/06/93/554360693.db2.gz KAQBIACHLNWRMA-VWLOTQADSA-N 1 1 578.670 3.690 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000100377459 554360587 /nfs/dbraw/zinc/36/05/87/554360587.db2.gz KAQBIACHLNWRMA-RUZDIDTESA-N 1 1 578.670 3.690 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000100377459 554360586 /nfs/dbraw/zinc/36/05/86/554360586.db2.gz KAQBIACHLNWRMA-RUZDIDTESA-N 1 1 578.670 3.690 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100388116 554365479 /nfs/dbraw/zinc/36/54/79/554365479.db2.gz DREMYMHGXSWOSF-HHHXNRCGSA-N 1 1 546.628 3.557 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100388116 554365478 /nfs/dbraw/zinc/36/54/78/554365478.db2.gz DREMYMHGXSWOSF-HHHXNRCGSA-N 1 1 546.628 3.557 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100388119 554365535 /nfs/dbraw/zinc/36/55/35/554365535.db2.gz DREMYMHGXSWOSF-MHZLTWQESA-N 1 1 546.628 3.557 40 0 KHABMO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100388119 554365534 /nfs/dbraw/zinc/36/55/34/554365534.db2.gz DREMYMHGXSWOSF-MHZLTWQESA-N 1 1 546.628 3.557 40 0 KHABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(CCC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100389985 554366013 /nfs/dbraw/zinc/36/60/13/554366013.db2.gz IHGTYOIXDLWOMV-MHZLTWQESA-N 1 1 545.688 3.556 40 0 KHABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(CCC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100389989 554365987 /nfs/dbraw/zinc/36/59/87/554365987.db2.gz IHGTYOIXDLWOMV-HHHXNRCGSA-N 1 1 545.688 3.556 40 0 KHABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100390182 554366522 /nfs/dbraw/zinc/36/65/22/554366522.db2.gz GDYNYAUTOUMBIT-NDEPHWFRSA-N 1 1 545.688 3.556 40 0 KHABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100390184 554366415 /nfs/dbraw/zinc/36/64/15/554366415.db2.gz GDYNYAUTOUMBIT-MUUNZHRXSA-N 1 1 545.688 3.556 40 0 KHABMO O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101075623 554577267 /nfs/dbraw/zinc/57/72/67/554577267.db2.gz VCSXYMVACJVHIY-UHFFFAOYSA-N 1 1 528.472 3.989 40 0 KHABMO O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101103954 554639377 /nfs/dbraw/zinc/63/93/77/554639377.db2.gz INZIOZFNJJGCDY-UHFFFAOYSA-N 1 1 528.472 3.989 40 0 KHABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101104195 554639773 /nfs/dbraw/zinc/63/97/73/554639773.db2.gz MYUKAGCSYARXIH-NWFVXXGESA-N 1 1 500.780 3.842 40 0 KHABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101104195 554639772 /nfs/dbraw/zinc/63/97/72/554639772.db2.gz MYUKAGCSYARXIH-NWFVXXGESA-N 1 1 500.780 3.842 40 0 KHABMO CN1CCN([P@]2(N3CC[NH+](C)CC3)=NC(C(Cl)(Cl)Cl)=NC(C(Cl)(Cl)Cl)=N2)CC1 ZINC000101409776 554763324 /nfs/dbraw/zinc/76/33/24/554763324.db2.gz NEHVHLLFMOKSKD-UHFFFAOYSA-N 1 1 532.071 3.978 40 0 KHABMO CN1CCN([P@@]2(N3CC[NH+](C)CC3)=NC(C(Cl)(Cl)Cl)=NC(C(Cl)(Cl)Cl)=N2)CC1 ZINC000101409776 554763322 /nfs/dbraw/zinc/76/33/22/554763322.db2.gz NEHVHLLFMOKSKD-UHFFFAOYSA-N 1 1 532.071 3.978 40 0 KHABMO Cc1cccc(N2CC[NH+](CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCC(C)C)CC2)c1C ZINC000101533471 554795177 /nfs/dbraw/zinc/79/51/77/554795177.db2.gz WGZNYFFEAUNOHE-UHFFFAOYSA-N 1 1 543.716 3.578 40 0 KHABMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)CCc2nnc3n2c2ccccc2c(=O)n3CCC(C)C)CC1 ZINC000101533477 554795215 /nfs/dbraw/zinc/79/52/15/554795215.db2.gz SUTNZXXQBDQPIW-UHFFFAOYSA-N 1 1 564.134 3.923 40 0 KHABMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)CCc2nnc3n2c2ccccc2c(=O)n3CCCOC(C)C)CC1 ZINC000101533759 554795236 /nfs/dbraw/zinc/79/52/36/554795236.db2.gz SZKUUWKEUHFCKF-UHFFFAOYSA-N 1 1 594.160 3.692 40 0 KHABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@@H]3[C@H](O)c3ccc(Cl)cc3)C(=O)Nc3ccc(C)cc32)cc1 ZINC000103504845 555421479 /nfs/dbraw/zinc/42/14/79/555421479.db2.gz GOIXEKAKNYGVGJ-RIFZOBPSSA-N 1 1 501.970 3.615 40 0 KHABMO Cc1ccc(N2C(=O)[C@H]3[C@@H]([C@H](O)c4ccc(Cl)cc4)[NH2+][C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 ZINC000103504848 555421423 /nfs/dbraw/zinc/42/14/23/555421423.db2.gz GOIXEKAKNYGVGJ-SHHGKLNCSA-N 1 1 501.970 3.615 40 0 KHABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]([C@H](O)c4ccc(Cl)cc4)[NH2+][C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 ZINC000103504851 555421437 /nfs/dbraw/zinc/42/14/37/555421437.db2.gz GOIXEKAKNYGVGJ-DGIOIMRJSA-N 1 1 501.970 3.615 40 0 KHABMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H]([C@H](O)c1ccc(Cl)cc1)[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000103517955 555423438 /nfs/dbraw/zinc/42/34/38/555423438.db2.gz ZVRKSGWNODBANZ-RIFZOBPSSA-N 1 1 536.415 3.690 40 0 KHABMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000103517958 555423452 /nfs/dbraw/zinc/42/34/52/555423452.db2.gz ZVRKSGWNODBANZ-SXFUUEIQSA-N 1 1 536.415 3.690 40 0 KHABMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H]([C@H](O)c1ccc(Cl)cc1)[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000103517960 555423530 /nfs/dbraw/zinc/42/35/30/555423530.db2.gz ZVRKSGWNODBANZ-SHHGKLNCSA-N 1 1 536.415 3.690 40 0 KHABMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000103517963 555423492 /nfs/dbraw/zinc/42/34/92/555423492.db2.gz ZVRKSGWNODBANZ-DGIOIMRJSA-N 1 1 536.415 3.690 40 0 KHABMO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000103530540 555430767 /nfs/dbraw/zinc/43/07/67/555430767.db2.gz ILUQVSSPLZCOND-BKKFENPESA-N 1 1 509.518 3.578 40 0 KHABMO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000103530540 555430763 /nfs/dbraw/zinc/43/07/63/555430763.db2.gz ILUQVSSPLZCOND-BKKFENPESA-N 1 1 509.518 3.578 40 0 KHABMO COc1cc(C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104103869 571373927 /nfs/dbraw/zinc/37/39/27/571373927.db2.gz OGIRBWABCVNBEI-GHNRXTDWSA-N 1 1 557.578 3.866 40 0 KHABMO COc1cc(C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104103869 571373925 /nfs/dbraw/zinc/37/39/25/571373925.db2.gz OGIRBWABCVNBEI-GHNRXTDWSA-N 1 1 557.578 3.866 40 0 KHABMO COc1cc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104103874 571374024 /nfs/dbraw/zinc/37/40/24/571374024.db2.gz OGIRBWABCVNBEI-MMKALQOZSA-N 1 1 557.578 3.866 40 0 KHABMO COc1cc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104103874 571374023 /nfs/dbraw/zinc/37/40/23/571374023.db2.gz OGIRBWABCVNBEI-MMKALQOZSA-N 1 1 557.578 3.866 40 0 KHABMO COc1cc(C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104103879 571374031 /nfs/dbraw/zinc/37/40/31/571374031.db2.gz OGIRBWABCVNBEI-AHOAORCWSA-N 1 1 557.578 3.866 40 0 KHABMO 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C[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000224745586 571613216 /nfs/dbraw/zinc/61/32/16/571613216.db2.gz ADYUNBNPQFZHLK-INIZCTEOSA-N 1 1 534.000 3.662 40 0 KHABMO C[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000224745634 571613226 /nfs/dbraw/zinc/61/32/26/571613226.db2.gz ADYUNBNPQFZHLK-MRXNPFEDSA-N 1 1 534.000 3.662 40 0 KHABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000224747014 571613385 /nfs/dbraw/zinc/61/33/85/571613385.db2.gz OAHDBNGGORRNGW-NRFANRHFSA-N 1 1 514.475 3.687 40 0 KHABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000224747061 571613389 /nfs/dbraw/zinc/61/33/89/571613389.db2.gz OAHDBNGGORRNGW-OAQYLSRUSA-N 1 1 514.475 3.687 40 0 KHABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000224747122 571613399 /nfs/dbraw/zinc/61/33/99/571613399.db2.gz MYQOMADHKJQWGB-QFIPXVFZSA-N 1 1 514.475 3.687 40 0 KHABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000224747170 571613373 /nfs/dbraw/zinc/61/33/73/571613373.db2.gz MYQOMADHKJQWGB-JOCHJYFZSA-N 1 1 514.475 3.687 40 0 KHABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000224747232 571613407 /nfs/dbraw/zinc/61/34/07/571613407.db2.gz ODSKVGJZEDMLSA-QFIPXVFZSA-N 1 1 514.475 3.687 40 0 KHABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000224747275 571613381 /nfs/dbraw/zinc/61/33/81/571613381.db2.gz ODSKVGJZEDMLSA-JOCHJYFZSA-N 1 1 514.475 3.687 40 0 KHABMO CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000224749396 571613656 /nfs/dbraw/zinc/61/36/56/571613656.db2.gz XAUYBFOVOAJWOF-UHFFFAOYSA-N 1 1 514.475 3.688 40 0 KHABMO CCOc1ccccc1N(Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1)S(C)(=O)=O ZINC000224749744 571613662 /nfs/dbraw/zinc/61/36/62/571613662.db2.gz KCHRNZNYUQYZPN-UHFFFAOYSA-N 1 1 537.682 3.814 40 0 KHABMO CCOc1ccc(N(Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)S(C)(=O)=O)cc1 ZINC000224749810 571613704 /nfs/dbraw/zinc/61/37/04/571613704.db2.gz FDVFUCDWGCJHOS-UHFFFAOYSA-N 1 1 537.682 3.814 40 0 KHABMO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1)c1ccccc1F ZINC000224749886 571613719 /nfs/dbraw/zinc/61/37/19/571613719.db2.gz LAYWIDYZRFSCNG-UHFFFAOYSA-N 1 1 511.619 3.554 40 0 KHABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224761758 571614752 /nfs/dbraw/zinc/61/47/52/571614752.db2.gz YWOGZWBDAJUOKO-UHFFFAOYSA-N 1 1 511.619 3.759 40 0 KHABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224783394 571616679 /nfs/dbraw/zinc/61/66/79/571616679.db2.gz RTJQHCIRLXLHFI-UHFFFAOYSA-N 1 1 507.656 3.782 40 0 KHABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224816351 571619793 /nfs/dbraw/zinc/61/97/93/571619793.db2.gz RPKKRVPGXXELSV-UHFFFAOYSA-N 1 1 507.656 3.864 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225365985 571729415 /nfs/dbraw/zinc/72/94/15/571729415.db2.gz ZPUSPQOYQORKOP-UHFFFAOYSA-N 1 1 563.720 3.583 40 0 KHABMO CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000225441307 571811483 /nfs/dbraw/zinc/81/14/83/571811483.db2.gz YAYLDTICRJUAJH-UHFFFAOYSA-N 1 1 509.697 3.963 40 0 KHABMO COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH+](Cc4ccc(F)cc4)Cc4ccc(F)cc4)[C@@H](O)[C@H]3O2)cc1 ZINC000225512712 560042344 /nfs/dbraw/zinc/04/23/44/560042344.db2.gz KWUVFMNKFQNSJG-AXMRGSGCSA-N 1 1 552.618 3.968 40 0 biogenic,in-vitro KHABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000225588471 571945640 /nfs/dbraw/zinc/94/56/40/571945640.db2.gz DNUGWNYRCPXJIR-UHFFFAOYSA-N 1 1 523.074 3.574 40 0 KHABMO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225706363 572036676 /nfs/dbraw/zinc/03/66/76/572036676.db2.gz MRVDHDZWQNAHNF-UHFFFAOYSA-N 1 1 521.683 3.812 40 0 KHABMO O=C(CCc1nc(-c2ccc(I)cc2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225839632 572075367 /nfs/dbraw/zinc/07/53/67/572075367.db2.gz FEHXDWYYWOZYMA-UHFFFAOYSA-N 1 1 502.356 3.618 40 0 KHABMO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225863185 572078552 /nfs/dbraw/zinc/07/85/52/572078552.db2.gz AUBOZTQSONPHFC-JOCHJYFZSA-N 1 1 507.656 3.784 40 0 KHABMO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225863198 572078685 /nfs/dbraw/zinc/07/86/85/572078685.db2.gz AUBOZTQSONPHFC-QFIPXVFZSA-N 1 1 507.656 3.784 40 0 KHABMO Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000225942133 572085556 /nfs/dbraw/zinc/08/55/56/572085556.db2.gz YTTBRMWELLTHQK-UHFFFAOYSA-N 1 1 505.684 3.881 40 0 KHABMO COc1ccc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)NS(C)(=O)=O)cc1 ZINC000225956968 572087035 /nfs/dbraw/zinc/08/70/35/572087035.db2.gz VLVPRYXFYZKWGY-AREMUKBSSA-N 1 1 507.656 3.609 40 0 KHABMO COc1ccc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)NS(C)(=O)=O)cc1 ZINC000225956977 572087067 /nfs/dbraw/zinc/08/70/67/572087067.db2.gz VLVPRYXFYZKWGY-SANMLTNESA-N 1 1 507.656 3.609 40 0 KHABMO CN(CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(Br)cc1 ZINC000226021230 572106645 /nfs/dbraw/zinc/10/66/45/572106645.db2.gz ISILOVZZHXZXML-UHFFFAOYSA-N 1 1 525.856 3.890 40 0 KHABMO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000226047092 572114576 /nfs/dbraw/zinc/11/45/76/572114576.db2.gz HNBFZDQXOJTULD-UHFFFAOYSA-N 1 1 505.040 3.916 40 0 KHABMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1Cl ZINC000226047728 572115098 /nfs/dbraw/zinc/11/50/98/572115098.db2.gz CAUXFSCCTRWAJR-UHFFFAOYSA-N 1 1 511.431 3.789 40 0 KHABMO CCN(CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(Br)cc1 ZINC000226054651 572118810 /nfs/dbraw/zinc/11/88/10/572118810.db2.gz ZCSRMUGYHZUOOI-UHFFFAOYSA-N 1 1 525.856 3.890 40 0 KHABMO CCN(CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1cc(C)ccc1OC ZINC000226056033 572119257 /nfs/dbraw/zinc/11/92/57/572119257.db2.gz VMKCEXJIOVLWBC-UHFFFAOYSA-N 1 1 505.040 3.834 40 0 KHABMO CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1C ZINC000226060661 572121163 /nfs/dbraw/zinc/12/11/63/572121163.db2.gz JBNGKNGVVXOBNV-UHFFFAOYSA-N 1 1 505.040 3.834 40 0 KHABMO CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1Cl ZINC000226062104 572121931 /nfs/dbraw/zinc/12/19/31/572121931.db2.gz WNZHGAPZWBBSGB-UHFFFAOYSA-N 1 1 511.431 3.789 40 0 KHABMO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1C ZINC000226065626 572123562 /nfs/dbraw/zinc/12/35/62/572123562.db2.gz RKRJAUFBLAOTBH-UHFFFAOYSA-N 1 1 505.040 3.834 40 0 KHABMO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000226066433 572123641 /nfs/dbraw/zinc/12/36/41/572123641.db2.gz NMFMEFPWBRHQJP-UHFFFAOYSA-N 1 1 511.431 3.789 40 0 KHABMO CCN(CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1cc(F)ccc1OC ZINC000226070126 572125549 /nfs/dbraw/zinc/12/55/49/572125549.db2.gz DCVXJAQNBMHXSN-UHFFFAOYSA-N 1 1 509.003 3.665 40 0 KHABMO CCN(CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000226070838 572126133 /nfs/dbraw/zinc/12/61/33/572126133.db2.gz IAGFNKHMEZBKCE-UHFFFAOYSA-N 1 1 505.040 3.834 40 0 KHABMO CCN(CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000226071578 572126277 /nfs/dbraw/zinc/12/62/77/572126277.db2.gz RUMLQAOQRURWTL-UHFFFAOYSA-N 1 1 511.431 3.789 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1OC ZINC000226074622 572127853 /nfs/dbraw/zinc/12/78/53/572127853.db2.gz CHVDXUIPIVOXPW-UHFFFAOYSA-N 1 1 533.050 3.534 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1OC ZINC000226074635 572127794 /nfs/dbraw/zinc/12/77/94/572127794.db2.gz NSSWDHCJNJKRGV-UHFFFAOYSA-N 1 1 547.077 3.925 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000226075087 572128160 /nfs/dbraw/zinc/12/81/60/572128160.db2.gz YGIJCMOMOOYFIJ-UHFFFAOYSA-N 1 1 503.024 3.526 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000226075099 572128262 /nfs/dbraw/zinc/12/82/62/572128262.db2.gz BJSYDVJGMCZASG-UHFFFAOYSA-N 1 1 517.051 3.916 40 0 KHABMO COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c1 ZINC000226079621 572129916 /nfs/dbraw/zinc/12/99/16/572129916.db2.gz MNCQBRNVXIGDPY-UHFFFAOYSA-N 1 1 533.050 3.534 40 0 KHABMO COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c1 ZINC000226079637 572129946 /nfs/dbraw/zinc/12/99/46/572129946.db2.gz SCSZDCDZFQOTSY-UHFFFAOYSA-N 1 1 547.077 3.925 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1C ZINC000226080983 572130630 /nfs/dbraw/zinc/13/06/30/572130630.db2.gz RQXISYKXUWITQW-UHFFFAOYSA-N 1 1 517.051 3.834 40 0 KHABMO COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000226081613 572130646 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ZINC000257289851 572314932 /nfs/dbraw/zinc/31/49/32/572314932.db2.gz QAKZBRNNUUBOIC-XCZPVHLTSA-N 1 1 527.687 3.640 40 0 KHABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000257289851 572314930 /nfs/dbraw/zinc/31/49/30/572314930.db2.gz QAKZBRNNUUBOIC-XCZPVHLTSA-N 1 1 527.687 3.640 40 0 KHABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000257289852 572314847 /nfs/dbraw/zinc/31/48/47/572314847.db2.gz QAKZBRNNUUBOIC-XTEPFMGCSA-N 1 1 527.687 3.640 40 0 KHABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000257289852 572314846 /nfs/dbraw/zinc/31/48/46/572314846.db2.gz QAKZBRNNUUBOIC-XTEPFMGCSA-N 1 1 527.687 3.640 40 0 KHABMO COc1cccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000257290204 572314892 /nfs/dbraw/zinc/31/48/92/572314892.db2.gz QBZSLHSVVOXYLF-UHFFFAOYSA-N 1 1 500.039 3.814 40 0 KHABMO COc1c(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)nn1C ZINC000257290449 572314899 /nfs/dbraw/zinc/31/48/99/572314899.db2.gz QCZRNDLLDQUBQM-HHHXNRCGSA-N 1 1 518.102 3.524 40 0 KHABMO COc1c(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)nn1C ZINC000257290450 572314867 /nfs/dbraw/zinc/31/48/67/572314867.db2.gz QCZRNDLLDQUBQM-MHZLTWQESA-N 1 1 518.102 3.524 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)CC1 ZINC000257290618 572314991 /nfs/dbraw/zinc/31/49/91/572314991.db2.gz QDPYOAVJGSUBNF-RUZDIDTESA-N 1 1 542.048 3.632 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)CC1 ZINC000257290619 572315038 /nfs/dbraw/zinc/31/50/38/572315038.db2.gz QDPYOAVJGSUBNF-VWLOTQADSA-N 1 1 542.048 3.632 40 0 KHABMO Cc1ccc(NCC(=O)N2CCC[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257290698 572315068 /nfs/dbraw/zinc/31/50/68/572315068.db2.gz QDZLEBWSCDAEEI-MUUNZHRXSA-N 1 1 513.082 3.912 40 0 KHABMO Cc1ccc(NCC(=O)N2CCC[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257290699 572315042 /nfs/dbraw/zinc/31/50/42/572315042.db2.gz QDZLEBWSCDAEEI-NDEPHWFRSA-N 1 1 513.082 3.912 40 0 KHABMO COCc1cccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000257290929 572315050 /nfs/dbraw/zinc/31/50/50/572315050.db2.gz QEYMXSUUTNPJLI-UHFFFAOYSA-N 1 1 514.066 3.952 40 0 KHABMO Cc1cc(OCC2(CC(=O)N3CC[NH+](C)CC3)CCN(S(=O)(=O)c3ccccc3C)CC2)ccc1Cl ZINC000257292162 572315029 /nfs/dbraw/zinc/31/50/29/572315029.db2.gz QKGOSVVSTMZWLQ-UHFFFAOYSA-N 1 1 534.122 3.971 40 0 KHABMO COc1cccc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000257292258 572315010 /nfs/dbraw/zinc/31/50/10/572315010.db2.gz QKRPDKLLRSEWJU-UHFFFAOYSA-N 1 1 500.039 3.814 40 0 KHABMO CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)on1 ZINC000257293646 572315284 /nfs/dbraw/zinc/31/52/84/572315284.db2.gz QQNXPIQNRWPSCK-CVDCTZTESA-N 1 1 503.043 3.600 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)CC1 ZINC000257296273 572315526 /nfs/dbraw/zinc/31/55/26/572315526.db2.gz RCANODCZWJTFQJ-RUZDIDTESA-N 1 1 542.048 3.632 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)CC1 ZINC000257296274 572315463 /nfs/dbraw/zinc/31/54/63/572315463.db2.gz RCANODCZWJTFQJ-VWLOTQADSA-N 1 1 542.048 3.632 40 0 KHABMO CCc1noc(C)c1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257296779 572315530 /nfs/dbraw/zinc/31/55/30/572315530.db2.gz REIZITFJXWWMJR-UHFFFAOYSA-N 1 1 503.043 3.664 40 0 KHABMO C[NH+]1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 ZINC000257297597 572315513 /nfs/dbraw/zinc/31/55/13/572315513.db2.gz RHZNLHQWVPLRCM-UHFFFAOYSA-N 1 1 518.029 3.710 40 0 KHABMO CC(C)c1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000257298615 572315628 /nfs/dbraw/zinc/31/56/28/572315628.db2.gz RMNDDJQQHKHFDF-UHFFFAOYSA-N 1 1 503.043 3.917 40 0 KHABMO CCCn1cc(Cl)c(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000257299500 572315762 /nfs/dbraw/zinc/31/57/62/572315762.db2.gz RQIODRPTFCZBDA-AVRDEDQJSA-N 1 1 566.928 3.783 40 0 KHABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)n[nH]1 ZINC000257299569 572315758 /nfs/dbraw/zinc/31/57/58/572315758.db2.gz RQPOWPHVOJXJAF-IBGZPJMESA-N 1 1 509.058 3.752 40 0 KHABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)n[nH]1 ZINC000257299570 572315765 /nfs/dbraw/zinc/31/57/65/572315765.db2.gz RQPOWPHVOJXJAF-LJQANCHMSA-N 1 1 509.058 3.752 40 0 KHABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000257300959 572315949 /nfs/dbraw/zinc/31/59/49/572315949.db2.gz RWJAEYIABBUBGJ-UHFFFAOYSA-N 1 1 514.022 3.534 40 0 KHABMO CC(C)Cc1cc(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)n(C)n1 ZINC000257301077 572315925 /nfs/dbraw/zinc/31/59/25/572315925.db2.gz RWXAZJCLODHLFP-MUUNZHRXSA-N 1 1 530.113 3.738 40 0 KHABMO CC(C)Cc1cc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)n(C)n1 ZINC000257301078 572315864 /nfs/dbraw/zinc/31/58/64/572315864.db2.gz RWXAZJCLODHLFP-NDEPHWFRSA-N 1 1 530.113 3.738 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2)CC1 ZINC000257303959 572316130 /nfs/dbraw/zinc/31/61/30/572316130.db2.gz SJMUAVOHTSRKHE-HHHXNRCGSA-N 1 1 598.549 3.779 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2)CC1 ZINC000257303960 572316190 /nfs/dbraw/zinc/31/61/90/572316190.db2.gz SJMUAVOHTSRKHE-MHZLTWQESA-N 1 1 598.549 3.779 40 0 KHABMO CC(C)Cc1cc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000257305761 572316411 /nfs/dbraw/zinc/31/64/11/572316411.db2.gz SRKXWRKWUMKBEZ-UHFFFAOYSA-N 1 1 530.113 3.738 40 0 KHABMO O=C(CN1CC[C@@]2(CCC[N@H+]2CCc2ccccc2)[C@@H](O)C1)Nc1ncc(Cc2ccccc2F)s1 ZINC000257306200 572316478 /nfs/dbraw/zinc/31/64/78/572316478.db2.gz STGRHUOBGBXWPU-LSYYVWMOSA-N 1 1 508.663 3.955 40 0 KHABMO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1Cl ZINC000257306282 572316400 /nfs/dbraw/zinc/31/64/00/572316400.db2.gz STPSZVUQWPWUCW-HHHXNRCGSA-N 1 1 584.110 3.510 40 0 KHABMO COc1cc(OC)c(S(=O)(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1Cl ZINC000257306283 572316489 /nfs/dbraw/zinc/31/64/89/572316489.db2.gz STPSZVUQWPWUCW-MHZLTWQESA-N 1 1 584.110 3.510 40 0 KHABMO Cc1nc(C)c(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000257308157 572316593 /nfs/dbraw/zinc/31/65/93/572316593.db2.gz TVQOGRPXJPGOHD-UHFFFAOYSA-N 1 1 505.084 3.879 40 0 KHABMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257308776 572316703 /nfs/dbraw/zinc/31/67/03/572316703.db2.gz TYBGKECLRRUHHG-REWPJTCUSA-N 1 1 503.043 3.595 40 0 KHABMO COc1ccc(-c2csc(NC(=O)CN3CC[C@@]4(CCC[N@H+]4CCc4ccccc4)[C@@H](O)C3)n2)cc1 ZINC000257309821 572316839 /nfs/dbraw/zinc/31/68/39/572316839.db2.gz UCNHUXYESMITFJ-LSYYVWMOSA-N 1 1 506.672 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KHABMO Cc1noc(C)c1CCC(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257316441 572317369 /nfs/dbraw/zinc/31/73/69/572317369.db2.gz VFPDBJHIHIWFBX-UHFFFAOYSA-N 1 1 517.070 3.729 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CN(S(=O)(=O)c3ccc(Cl)cc3Cl)CCO2)CC1 ZINC000257316647 572317414 /nfs/dbraw/zinc/31/74/14/572317414.db2.gz VGLJSWCFINGNMB-DEOSSOPVSA-N 1 1 576.930 3.650 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CN(S(=O)(=O)c3ccc(Cl)cc3Cl)CCO2)CC1 ZINC000257316648 572317407 /nfs/dbraw/zinc/31/74/07/572317407.db2.gz VGLJSWCFINGNMB-XMMPIXPASA-N 1 1 576.930 3.650 40 0 KHABMO CC(C)c1cc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)on1 ZINC000257320162 572317917 /nfs/dbraw/zinc/31/79/17/572317917.db2.gz VVPHQQNUCGVFFJ-AVRDEDQJSA-N 1 1 533.467 3.634 40 0 KHABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1 ZINC000257320682 572317920 /nfs/dbraw/zinc/31/79/20/572317920.db2.gz VYAMICUJFLNGOA-UHFFFAOYSA-N 1 1 502.030 3.874 40 0 KHABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000257321074 572318042 /nfs/dbraw/zinc/31/80/42/572318042.db2.gz VZZPOFBGZIJRNA-UHFFFAOYSA-N 1 1 568.509 3.602 40 0 KHABMO COc1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000257323191 572318184 /nfs/dbraw/zinc/31/81/84/572318184.db2.gz WJCDVEITWRNEPI-UHFFFAOYSA-N 1 1 500.039 3.814 40 0 KHABMO CC(C)Cc1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000257324238 572318301 /nfs/dbraw/zinc/31/83/01/572318301.db2.gz WNTZFYOYZAUMHN-UHFFFAOYSA-N 1 1 530.113 3.738 40 0 KHABMO CCn1cc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)n1 ZINC000257325974 572318438 /nfs/dbraw/zinc/31/84/38/572318438.db2.gz WVFRAMVNPIIYPL-HHHXNRCGSA-N 1 1 502.103 3.999 40 0 KHABMO CCn1cc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)n1 ZINC000257325975 572318429 /nfs/dbraw/zinc/31/84/29/572318429.db2.gz WVFRAMVNPIIYPL-MHZLTWQESA-N 1 1 502.103 3.999 40 0 KHABMO COc1ccccc1C(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257326929 572318434 /nfs/dbraw/zinc/31/84/34/572318434.db2.gz WZDOEYCMLOWTHC-HHHXNRCGSA-N 1 1 500.039 3.814 40 0 KHABMO COc1ccccc1C(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257326930 572318449 /nfs/dbraw/zinc/31/84/49/572318449.db2.gz WZDOEYCMLOWTHC-MHZLTWQESA-N 1 1 500.039 3.814 40 0 KHABMO CCc1ccc(S(=O)(=O)N2CCC[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257327123 572318530 /nfs/dbraw/zinc/31/85/30/572318530.db2.gz XABFPHPHVQOPSY-HHHXNRCGSA-N 1 1 534.122 3.916 40 0 KHABMO CCc1ccc(S(=O)(=O)N2CCC[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257327124 572318596 /nfs/dbraw/zinc/31/85/96/572318596.db2.gz XABFPHPHVQOPSY-MHZLTWQESA-N 1 1 534.122 3.916 40 0 KHABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@H](c3cc(N4CCN(C)CC4)nc(-c4cccnc4)n3)C2)c1 ZINC000257328205 572318613 /nfs/dbraw/zinc/31/86/13/572318613.db2.gz XEPNHYLQFGMYBX-DEOSSOPVSA-N 1 1 502.663 3.825 40 0 KHABMO COCc1ccc(OC)c(C[N@@H+]2CCC[C@H](c3cc(N4CCN(C)CC4)nc(-c4cccnc4)n3)C2)c1 ZINC000257328205 572318611 /nfs/dbraw/zinc/31/86/11/572318611.db2.gz XEPNHYLQFGMYBX-DEOSSOPVSA-N 1 1 502.663 3.825 40 0 KHABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3cc(N4CCN(C)CC4)nc(-c4cccnc4)n3)C2)c1 ZINC000257328206 572318690 /nfs/dbraw/zinc/31/86/90/572318690.db2.gz XEPNHYLQFGMYBX-XMMPIXPASA-N 1 1 502.663 3.825 40 0 KHABMO COCc1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3cc(N4CCN(C)CC4)nc(-c4cccnc4)n3)C2)c1 ZINC000257328206 572318689 /nfs/dbraw/zinc/31/86/89/572318689.db2.gz XEPNHYLQFGMYBX-XMMPIXPASA-N 1 1 502.663 3.825 40 0 KHABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC000257329709 572318751 /nfs/dbraw/zinc/31/87/51/572318751.db2.gz XLDUKWMVDIAGJC-UHFFFAOYSA-N 1 1 514.464 3.915 40 0 KHABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 ZINC000257331180 572318869 /nfs/dbraw/zinc/31/88/69/572318869.db2.gz XRSJWHOXAFIDGK-UHFFFAOYSA-N 1 1 518.029 3.710 40 0 KHABMO CC(C)n1nccc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257332403 572319097 /nfs/dbraw/zinc/31/90/97/572319097.db2.gz XXEPYGZVJKXMEL-UHFFFAOYSA-N 1 1 502.059 3.583 40 0 KHABMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257334823 572319309 /nfs/dbraw/zinc/31/93/09/572319309.db2.gz YHMTYIZXFUIFRO-REWPJTCUSA-N 1 1 503.043 3.595 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000257336719 572319518 /nfs/dbraw/zinc/31/95/18/572319518.db2.gz YPSMVVYPHLQTJG-HHHXNRCGSA-N 1 1 528.491 3.844 40 0 KHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000257336720 572319522 /nfs/dbraw/zinc/31/95/22/572319522.db2.gz YPSMVVYPHLQTJG-MHZLTWQESA-N 1 1 528.491 3.844 40 0 KHABMO Cc1nc(C)c(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000257339062 572319668 /nfs/dbraw/zinc/31/96/68/572319668.db2.gz ZABFNNNDLZZPRR-RXVVDRJESA-N 1 1 535.508 3.596 40 0 KHABMO COCc1cccc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257339167 572319679 /nfs/dbraw/zinc/31/96/79/572319679.db2.gz ZALXVEJFSIYNMH-DHLKQENFSA-N 1 1 544.490 3.669 40 0 KHABMO Cn1cc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c2cc(F)ccc21 ZINC000257339808 572319774 /nfs/dbraw/zinc/31/97/74/572319774.db2.gz ZDIFQFYQCQWGQA-MUUNZHRXSA-N 1 1 529.056 3.785 40 0 KHABMO Cn1cc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c2cc(F)ccc21 ZINC000257339809 572319709 /nfs/dbraw/zinc/31/97/09/572319709.db2.gz ZDIFQFYQCQWGQA-NDEPHWFRSA-N 1 1 529.056 3.785 40 0 KHABMO CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CCN(C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[N@H+]1[C@H]42 ZINC000257906202 572322575 /nfs/dbraw/zinc/32/25/75/572322575.db2.gz QZRIMAMDGWAHPQ-ABDGNNESSA-N 1 1 794.902 3.997 40 0 KHABMO CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CCN(C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[N@@H+]1[C@H]42 ZINC000257906202 572322574 /nfs/dbraw/zinc/32/25/74/572322574.db2.gz QZRIMAMDGWAHPQ-ABDGNNESSA-N 1 1 794.902 3.997 40 0 KHABMO CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[N@@H+]1[C@H]42 ZINC000257906202 572322572 /nfs/dbraw/zinc/32/25/72/572322572.db2.gz QZRIMAMDGWAHPQ-ABDGNNESSA-N 1 1 794.902 3.997 40 0 KHABMO CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CC[N@@H+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[NH+]1[C@H]42 ZINC000257906202 572322571 /nfs/dbraw/zinc/32/25/71/572322571.db2.gz QZRIMAMDGWAHPQ-ABDGNNESSA-N 1 1 794.902 3.997 40 0 KHABMO CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CCN(C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@]34CC[N@H+]1[C@H]42 ZINC000257906236 572322588 /nfs/dbraw/zinc/32/25/88/572322588.db2.gz QZRIMAMDGWAHPQ-GMNDCMHISA-N 1 1 794.902 3.997 40 0 KHABMO CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CCN(C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@]34CC[N@@H+]1[C@H]42 ZINC000257906236 572322587 /nfs/dbraw/zinc/32/25/87/572322587.db2.gz QZRIMAMDGWAHPQ-GMNDCMHISA-N 1 1 794.902 3.997 40 0 KHABMO CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@]34CC[N@@H+]1[C@H]42 ZINC000257906236 572322585 /nfs/dbraw/zinc/32/25/85/572322585.db2.gz QZRIMAMDGWAHPQ-GMNDCMHISA-N 1 1 794.902 3.997 40 0 KHABMO CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CC[N@@H+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@]34CC[NH+]1[C@H]42 ZINC000257906236 572322584 /nfs/dbraw/zinc/32/25/84/572322584.db2.gz QZRIMAMDGWAHPQ-GMNDCMHISA-N 1 1 794.902 3.997 40 0 KHABMO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)C2)cc1 ZINC000260728437 572324187 /nfs/dbraw/zinc/32/41/87/572324187.db2.gz BCZGOTCTYWNLOG-SFHVURJKSA-N 1 1 517.051 3.916 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)C2)cc1 ZINC000260731539 572324329 /nfs/dbraw/zinc/32/43/29/572324329.db2.gz FHYGIZJUUOMZGI-KRWDZBQOSA-N 1 1 503.024 3.526 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)C2)cc1 ZINC000260734372 572324394 /nfs/dbraw/zinc/32/43/94/572324394.db2.gz HXJQKOGUNJBUPS-SFHVURJKSA-N 1 1 517.051 3.916 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)C2)cc1OC ZINC000260736868 572324457 /nfs/dbraw/zinc/32/44/57/572324457.db2.gz JEOLDSWGQQOVGC-SFHVURJKSA-N 1 1 547.077 3.925 40 0 KHABMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)C2)c1 ZINC000260739974 572324661 /nfs/dbraw/zinc/32/46/61/572324661.db2.gz KYNHETGVKPXZDB-SFHVURJKSA-N 1 1 547.077 3.925 40 0 KHABMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)C2)c1 ZINC000260740260 572324701 /nfs/dbraw/zinc/32/47/01/572324701.db2.gz MSMAHSGTBPTIKZ-KRWDZBQOSA-N 1 1 533.050 3.534 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)C2)cc1C ZINC000260743348 572324997 /nfs/dbraw/zinc/32/49/97/572324997.db2.gz PAOXVOCQMYJYPY-SFHVURJKSA-N 1 1 517.051 3.834 40 0 KHABMO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000260746235 572325200 /nfs/dbraw/zinc/32/52/00/572325200.db2.gz QTFFHBFNZIDCDR-INIZCTEOSA-N 1 1 521.014 3.665 40 0 KHABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)C2)cc1OC ZINC000260749181 572325569 /nfs/dbraw/zinc/32/55/69/572325569.db2.gz UDTASZPLEKLUNT-KRWDZBQOSA-N 1 1 533.050 3.534 40 0 KHABMO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000260752620 572326057 /nfs/dbraw/zinc/32/60/57/572326057.db2.gz ZCJFRIIUCAJKSC-SFHVURJKSA-N 1 1 517.051 3.834 40 0 KHABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3ccc(Cl)cc32)cc1 ZINC000260890965 571804405 /nfs/dbraw/zinc/80/44/05/571804405.db2.gz VYICVRWQTWWXBO-HHHXNRCGSA-N 1 1 556.084 3.753 40 0 KHABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccc(Cl)cc32)cc1 ZINC000260892677 571808751 /nfs/dbraw/zinc/80/87/51/571808751.db2.gz CXRCFUAGYQFZHN-HHHXNRCGSA-N 1 1 556.084 3.753 40 0 KHABMO CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cc(Br)c3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000306122910 572144374 /nfs/dbraw/zinc/14/43/74/572144374.db2.gz IQCKJUKAQJINMK-IOUIBGKWSA-N 1 1 618.577 3.615 40 0 KHABMO CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cc(Br)c3c2ncnc3N)[C@H](O)[C@H]1O ZINC000306122911 572144391 /nfs/dbraw/zinc/14/43/91/572144391.db2.gz IQCKJUKAQJINMK-PFMZIPKWSA-N 1 1 618.577 3.615 40 0 KHABMO CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cc(Br)c3c2ncnc3N)[C@@H](O)[C@H]1O ZINC000306122912 572144408 /nfs/dbraw/zinc/14/44/08/572144408.db2.gz IQCKJUKAQJINMK-SZBRSHHCSA-N 1 1 618.577 3.615 40 0 KHABMO CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cc(Br)c3c2ncnc3N)[C@@H](O)[C@@H]1O ZINC000306122913 572144366 /nfs/dbraw/zinc/14/43/66/572144366.db2.gz IQCKJUKAQJINMK-VBZBYZBJSA-N 1 1 618.577 3.615 40 0 KHABMO C[NH+](C)CCNc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329006298 572149005 /nfs/dbraw/zinc/14/90/05/572149005.db2.gz LCNIVXPRNMQTOB-UHFFFAOYSA-N 1 1 511.530 4.224 40 0 KHABMO O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408526411 572157532 /nfs/dbraw/zinc/15/75/32/572157532.db2.gz BDRQNVCOAMEJPO-UHFFFAOYSA-N 1 1 505.640 3.551 40 0 KHABMO Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408526459 572157627 /nfs/dbraw/zinc/15/76/27/572157627.db2.gz BMLLVLKTTLXVOB-UHFFFAOYSA-N 1 1 521.683 3.994 40 0 KHABMO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408533844 572184742 /nfs/dbraw/zinc/18/47/42/572184742.db2.gz QZCHJTNYNXUWPW-UHFFFAOYSA-N 1 1 526.058 3.815 40 0 KHABMO CCOc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408544743 572216831 /nfs/dbraw/zinc/21/68/31/572216831.db2.gz JCLWLVYGXUUWEZ-UHFFFAOYSA-N 1 1 511.619 3.764 40 0 KHABMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000408546438 572222806 /nfs/dbraw/zinc/22/28/06/572222806.db2.gz SOJJITMCAMWBER-UHFFFAOYSA-N 1 1 511.619 3.764 40 0 KHABMO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000408551272 572235858 /nfs/dbraw/zinc/23/58/58/572235858.db2.gz JUHWBMTXZMEDHZ-UHFFFAOYSA-N 1 1 521.683 3.581 40 0 KHABMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000408562206 572248649 /nfs/dbraw/zinc/24/86/49/572248649.db2.gz YAKFULFKMXOPAL-UHFFFAOYSA-N 1 1 530.046 3.873 40 0 KHABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408562815 572249090 /nfs/dbraw/zinc/24/90/90/572249090.db2.gz DATKDXARKGMCTH-UHFFFAOYSA-N 1 1 523.655 3.821 40 0 KHABMO CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408573610 572258988 /nfs/dbraw/zinc/25/89/88/572258988.db2.gz BYFLTYDQJJTOSL-JOCHJYFZSA-N 1 1 601.542 3.529 40 0 KHABMO CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408573613 572259034 /nfs/dbraw/zinc/25/90/34/572259034.db2.gz BYFLTYDQJJTOSL-QFIPXVFZSA-N 1 1 601.542 3.529 40 0 KHABMO COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408588522 572266896 /nfs/dbraw/zinc/26/68/96/572266896.db2.gz DAKBONBZGGZPOW-JOCHJYFZSA-N 1 1 507.656 3.604 40 0 KHABMO COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408588528 572266835 /nfs/dbraw/zinc/26/68/35/572266835.db2.gz DAKBONBZGGZPOW-QFIPXVFZSA-N 1 1 507.656 3.604 40 0 KHABMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408589510 572267342 /nfs/dbraw/zinc/26/73/42/572267342.db2.gz FXVRBXFFLIQWHB-UHFFFAOYSA-N 1 1 523.655 3.552 40 0 KHABMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000408590413 572267659 /nfs/dbraw/zinc/26/76/59/572267659.db2.gz HDIWHHNMBPOMKZ-FQEVSTJZSA-N 1 1 528.074 3.949 40 0 KHABMO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000408590414 572267728 /nfs/dbraw/zinc/26/77/28/572267728.db2.gz HDIWHHNMBPOMKZ-HXUWFJFHSA-N 1 1 528.074 3.949 40 0 KHABMO CC[NH+]1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000408596148 572270709 /nfs/dbraw/zinc/27/07/09/572270709.db2.gz SYQJRCKFPJDSAS-UHFFFAOYSA-N 1 1 500.448 3.670 40 0 KHABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000408596647 572271105 /nfs/dbraw/zinc/27/11/05/572271105.db2.gz XIBLSRUIEOCAKH-UHFFFAOYSA-N 1 1 511.619 3.682 40 0 KHABMO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408596828 572271195 /nfs/dbraw/zinc/27/11/95/572271195.db2.gz SJTUTXHERVWEQX-RUZDIDTESA-N 1 1 542.499 3.683 40 0 KHABMO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408596830 572271226 /nfs/dbraw/zinc/27/12/26/572271226.db2.gz SJTUTXHERVWEQX-VWLOTQADSA-N 1 1 542.499 3.683 40 0 KHABMO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000408597487 572271641 /nfs/dbraw/zinc/27/16/41/572271641.db2.gz WYWACXRPTPFLHA-JOCHJYFZSA-N 1 1 507.656 3.604 40 0 KHABMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000408597488 572271659 /nfs/dbraw/zinc/27/16/59/572271659.db2.gz WYWACXRPTPFLHA-QFIPXVFZSA-N 1 1 507.656 3.604 40 0 KHABMO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408608801 572275649 /nfs/dbraw/zinc/27/56/49/572275649.db2.gz SJSFMUFAHWCUCH-UHFFFAOYSA-N 1 1 570.111 3.674 40 0 KHABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)CC1 ZINC000408609457 572275871 /nfs/dbraw/zinc/27/58/71/572275871.db2.gz SZYODUMJXJTIFR-UHFFFAOYSA-N 1 1 505.946 3.703 40 0 KHABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408615509 572278355 /nfs/dbraw/zinc/27/83/55/572278355.db2.gz BEEBEJSUISFYML-UHFFFAOYSA-N 1 1 523.655 3.543 40 0 KHABMO Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000408617249 572279344 /nfs/dbraw/zinc/27/93/44/572279344.db2.gz ADNCAIUASBITKH-UHFFFAOYSA-N 1 1 542.529 3.948 40 0 KHABMO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408617284 572279368 /nfs/dbraw/zinc/27/93/68/572279368.db2.gz CJIVEXGVXRECOO-FQEVSTJZSA-N 1 1 528.074 3.949 40 0 KHABMO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408617288 572279404 /nfs/dbraw/zinc/27/94/04/572279404.db2.gz CJIVEXGVXRECOO-HXUWFJFHSA-N 1 1 528.074 3.949 40 0 KHABMO O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000408618072 572279862 /nfs/dbraw/zinc/27/98/62/572279862.db2.gz CLBFIPJAWDZSKF-UHFFFAOYSA-N 1 1 534.893 3.676 40 0 KHABMO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)NCCC[NH+]1CCOCC1 ZINC000408620721 572281249 /nfs/dbraw/zinc/28/12/49/572281249.db2.gz KWKWTOPAXZTGFX-UHFFFAOYSA-N 1 1 579.344 3.785 40 0 KHABMO O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000408620768 572281218 /nfs/dbraw/zinc/28/12/18/572281218.db2.gz LUMFCEQYHDEXNY-UHFFFAOYSA-N 1 1 534.893 3.676 40 0 KHABMO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000408624942 572283246 /nfs/dbraw/zinc/28/32/46/572283246.db2.gz WDDQXFIHRWWWJU-UHFFFAOYSA-N 1 1 534.893 3.676 40 0 KHABMO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000408625520 572283526 /nfs/dbraw/zinc/28/35/26/572283526.db2.gz SUVWOHLCHNWFDG-HSZRJFAPSA-N 1 1 521.683 3.994 40 0 KHABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000408625524 572283518 /nfs/dbraw/zinc/28/35/18/572283518.db2.gz SUVWOHLCHNWFDG-QHCPKHFHSA-N 1 1 521.683 3.994 40 0 KHABMO O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCCC[NH+]1CCOCC1 ZINC000408626011 572283643 /nfs/dbraw/zinc/28/36/43/572283643.db2.gz XYSJFPGNKKMKQI-UHFFFAOYSA-N 1 1 579.344 3.785 40 0 KHABMO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408627051 572284239 /nfs/dbraw/zinc/28/42/39/572284239.db2.gz XRVNCMYGLLKAEU-JOCHJYFZSA-N 1 1 507.656 3.686 40 0 KHABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408627052 572284275 /nfs/dbraw/zinc/28/42/75/572284275.db2.gz XRVNCMYGLLKAEU-QFIPXVFZSA-N 1 1 507.656 3.686 40 0 KHABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408630420 572286170 /nfs/dbraw/zinc/28/61/70/572286170.db2.gz UGUNZBZCPOUCRV-UHFFFAOYSA-N 1 1 534.000 3.701 40 0 KHABMO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408630956 572286808 /nfs/dbraw/zinc/28/68/08/572286808.db2.gz YLAADWAZMKJVOI-UHFFFAOYSA-N 1 1 507.656 3.843 40 0 KHABMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)cc1 ZINC000408635483 572292534 /nfs/dbraw/zinc/29/25/34/572292534.db2.gz BZNVJVVCIPXWFK-UHFFFAOYSA-N 1 1 530.046 3.873 40 0 KHABMO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000408635523 572292632 /nfs/dbraw/zinc/29/26/32/572292632.db2.gz CXPCOLUKISSPKG-UHFFFAOYSA-N 1 1 528.074 3.884 40 0 KHABMO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408635817 572292800 /nfs/dbraw/zinc/29/28/00/572292800.db2.gz FRQVEVJJAPIFBV-UHFFFAOYSA-N 1 1 540.085 3.810 40 0 KHABMO CCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000408636001 572292902 /nfs/dbraw/zinc/29/29/02/572292902.db2.gz OFBKWXYUOXLYMX-UHFFFAOYSA-N 1 1 521.683 3.996 40 0 KHABMO Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408636214 572293148 /nfs/dbraw/zinc/29/31/48/572293148.db2.gz ZAPWKLSJBPPKDW-UHFFFAOYSA-N 1 1 519.667 3.860 40 0 KHABMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2)cc1 ZINC000408636399 572293334 /nfs/dbraw/zinc/29/33/34/572293334.db2.gz PQUFSBXKIFXSDH-UHFFFAOYSA-N 1 1 507.656 3.621 40 0 KHABMO COCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000408636669 572293525 /nfs/dbraw/zinc/29/35/25/572293525.db2.gz SKMHNKKRVDFMOA-UHFFFAOYSA-N 1 1 558.100 3.577 40 0 KHABMO COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408637053 572293978 /nfs/dbraw/zinc/29/39/78/572293978.db2.gz WSDKWSROHMCUIK-UHFFFAOYSA-N 1 1 521.683 3.581 40 0 KHABMO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)c2)cc1 ZINC000408674937 572317647 /nfs/dbraw/zinc/31/76/47/572317647.db2.gz NCNNLQLRDXUYEJ-UHFFFAOYSA-N 1 1 523.655 3.918 40 0 KHABMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)c2)cc1 ZINC000408675100 572317762 /nfs/dbraw/zinc/31/77/62/572317762.db2.gz RPQKOKKGIHYWMB-UHFFFAOYSA-N 1 1 509.628 3.528 40 0 KHABMO CCNS(=O)(=O)c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OCC ZINC000408700267 1066552212 /nfs/dbraw/zinc/55/22/12/1066552212.db2.gz CCNAOCJFUUIOBC-UHFFFAOYSA-N 1 1 507.656 3.931 40 0 KHABMO CCS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000408702348 1066550732 /nfs/dbraw/zinc/55/07/32/1066550732.db2.gz DLAMZTVPWGMOMD-UHFFFAOYSA-N 1 1 521.639 3.505 40 0 KHABMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000408702597 1066550864 /nfs/dbraw/zinc/55/08/64/1066550864.db2.gz BXRAIVWWQURUTN-UHFFFAOYSA-N 1 1 535.666 3.895 40 0 KHABMO C[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704398 1066549735 /nfs/dbraw/zinc/54/97/35/1066549735.db2.gz MXUANEQLDZELAF-JOCHJYFZSA-N 1 1 535.666 3.546 40 0 KHABMO C[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704399 1066549559 /nfs/dbraw/zinc/54/95/59/1066549559.db2.gz MXUANEQLDZELAF-QFIPXVFZSA-N 1 1 535.666 3.546 40 0 KHABMO CCS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000408706435 1066548386 /nfs/dbraw/zinc/54/83/86/1066548386.db2.gz SNHHVYHBVORXSX-UHFFFAOYSA-N 1 1 535.666 3.548 40 0 KHABMO CCOc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408710999 1066555175 /nfs/dbraw/zinc/55/51/75/1066555175.db2.gz IELDTURACVEPLS-UHFFFAOYSA-N 1 1 537.682 3.942 40 0 KHABMO COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000408713638 1066554675 /nfs/dbraw/zinc/55/46/75/1066554675.db2.gz VWBRBCOQBMQVME-AREMUKBSSA-N 1 1 547.677 3.617 40 0 KHABMO COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000408713639 1066554487 /nfs/dbraw/zinc/55/44/87/1066554487.db2.gz VWBRBCOQBMQVME-SANMLTNESA-N 1 1 547.677 3.617 40 0 KHABMO COc1ccccc1N1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)CC1 ZINC000408861010 1066597411 /nfs/dbraw/zinc/59/74/11/1066597411.db2.gz KTZBQTULZXUTMR-UHFFFAOYSA-N 1 1 500.643 3.988 40 0 KHABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(OC)cc2)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985239 1066649245 /nfs/dbraw/zinc/64/92/45/1066649245.db2.gz ALPDIODJJLYDOB-HSZRJFAPSA-N 1 1 529.615 3.930 40 0 KHABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(OC)cc2)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985260 1066649129 /nfs/dbraw/zinc/64/91/29/1066649129.db2.gz ALPDIODJJLYDOB-QHCPKHFHSA-N 1 1 529.615 3.930 40 0 KHABMO C=C1[NH+]=C(SCC(=O)Nc2ccccc2OC)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408991008 1066656241 /nfs/dbraw/zinc/65/62/41/1066656241.db2.gz PJCVVCQQPVCRTP-HSZRJFAPSA-N 1 1 529.615 3.930 40 0 KHABMO C=C1[NH+]=C(SCC(=O)Nc2ccccc2OC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408991011 1066193494 /nfs/dbraw/zinc/19/34/94/1066193494.db2.gz PJCVVCQQPVCRTP-QHCPKHFHSA-N 1 1 529.615 3.930 40 0 KHABMO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409005804 1066250290 /nfs/dbraw/zinc/25/02/90/1066250290.db2.gz WGLIWWAHTWPLJC-UHFFFAOYSA-N 1 1 542.499 3.984 40 0 KHABMO CCOc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000409025218 1066667349 /nfs/dbraw/zinc/66/73/49/1066667349.db2.gz RWUQECONWIMOKM-UHFFFAOYSA-N 1 1 553.681 3.642 40 0 KHABMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000409167828 1066757666 /nfs/dbraw/zinc/75/76/66/1066757666.db2.gz NSLPIVSTLPWUMD-UHFFFAOYSA-N 1 1 514.047 3.888 40 0 KHABMO O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409169292 1066756741 /nfs/dbraw/zinc/75/67/41/1066756741.db2.gz WUWNIGHIHWGNEJ-UHFFFAOYSA-N 1 1 575.472 3.831 40 0 KHABMO C[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000409194966 1066271866 /nfs/dbraw/zinc/27/18/66/1066271866.db2.gz NTIQMUCOURGHLB-UHFFFAOYSA-N 1 1 535.291 3.721 40 0 KHABMO O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409198186 1066765956 /nfs/dbraw/zinc/76/59/56/1066765956.db2.gz ZJJJKPFKIHSRBZ-AXLDUSBXSA-N 1 1 570.487 3.730 40 0 KHABMO O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409198187 1066272301 /nfs/dbraw/zinc/27/23/01/1066272301.db2.gz ZJJJKPFKIHSRBZ-BDELYBFDSA-N 1 1 570.487 3.730 40 0 KHABMO O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409198188 1066765902 /nfs/dbraw/zinc/76/59/02/1066765902.db2.gz ZJJJKPFKIHSRBZ-IXWSDTCWSA-N 1 1 570.487 3.730 40 0 KHABMO O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409198189 1066766082 /nfs/dbraw/zinc/76/60/82/1066766082.db2.gz ZJJJKPFKIHSRBZ-MWKZZOCJSA-N 1 1 570.487 3.730 40 0 KHABMO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000409207473 1066767096 /nfs/dbraw/zinc/76/70/96/1066767096.db2.gz UQFPTQADCSKALK-UHFFFAOYSA-N 1 1 521.683 3.934 40 0 KHABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409247060 1066772693 /nfs/dbraw/zinc/77/26/93/1066772693.db2.gz AYOQYNDNRGNYFJ-UHFFFAOYSA-N 1 1 553.466 3.857 40 0 KHABMO O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409253703 1066275536 /nfs/dbraw/zinc/27/55/36/1066275536.db2.gz GMAQLQYQHUZLTF-UHFFFAOYSA-N 1 1 514.047 3.542 40 0 KHABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409254524 1066776764 /nfs/dbraw/zinc/77/67/64/1066776764.db2.gz XPDUDDZQWLQWQD-UHFFFAOYSA-N 1 1 553.466 3.857 40 0 KHABMO CC[NH+]1CCN(C(=S)c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)CC1 ZINC000409255005 1066776675 /nfs/dbraw/zinc/77/66/75/1066776675.db2.gz KDDMWEPLWJAPJJ-UHFFFAOYSA-N 1 1 553.466 3.939 40 0 KHABMO CC[NH+]1CCN(C(=S)c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)CC1 ZINC000409256019 1066275389 /nfs/dbraw/zinc/27/53/89/1066275389.db2.gz NKIWMJYHOXZIJI-UHFFFAOYSA-N 1 1 510.429 3.927 40 0 KHABMO CCOc1ccc(NC(=O)COc2c(Br)cc(C(=S)N3CC[NH+](C)CC3)cc2OC)cc1 ZINC000409256173 1066776315 /nfs/dbraw/zinc/77/63/15/1066776315.db2.gz ODQPQHPCUZXACC-UHFFFAOYSA-N 1 1 522.465 3.797 40 0 KHABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409259695 1066780643 /nfs/dbraw/zinc/78/06/43/1066780643.db2.gz CQXWGHIIHYMHLD-UHFFFAOYSA-N 1 1 553.466 3.857 40 0 KHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Br)cc3F)c(OC)c2)CC1 ZINC000409260975 1066275983 /nfs/dbraw/zinc/27/59/83/1066275983.db2.gz ZEHGSOKKLXFLJJ-UHFFFAOYSA-N 1 1 510.429 3.927 40 0 KHABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409262539 1066778281 /nfs/dbraw/zinc/77/82/81/1066778281.db2.gz FTDJLYVYSGEIGR-UHFFFAOYSA-N 1 1 539.439 3.549 40 0 KHABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409262592 1066779380 /nfs/dbraw/zinc/77/93/80/1066779380.db2.gz IZWRVKNVOSRGPN-UHFFFAOYSA-N 1 1 539.439 3.549 40 0 KHABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409263177 1066779270 /nfs/dbraw/zinc/77/92/70/1066779270.db2.gz HZNCOGTXAPEMMW-UHFFFAOYSA-N 1 1 553.466 3.939 40 0 KHABMO CC[NH+]1CCN(C(=S)c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OC)c2)CC1 ZINC000409263193 1066779294 /nfs/dbraw/zinc/77/92/94/1066779294.db2.gz IFILMUFCFSKPQJ-UHFFFAOYSA-N 1 1 553.466 3.939 40 0 KHABMO CCc1ccc(NC(=O)COc2c(I)cc(C(=S)N3CC[NH+](C)CC3)cc2OC)cc1 ZINC000409263206 1066779466 /nfs/dbraw/zinc/77/94/66/1066779466.db2.gz IHDCNUBGPJGFRF-UHFFFAOYSA-N 1 1 553.466 3.803 40 0 KHABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409265354 1066276058 /nfs/dbraw/zinc/27/60/58/1066276058.db2.gz UIYBPSFPZJZVLI-UHFFFAOYSA-N 1 1 539.439 3.549 40 0 KHABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409268064 1066783342 /nfs/dbraw/zinc/78/33/42/1066783342.db2.gz XYPJYPGOPKVSPE-UHFFFAOYSA-N 1 1 553.466 3.939 40 0 KHABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)Nc1c(C)cccc1C ZINC000409270382 1066782377 /nfs/dbraw/zinc/78/23/77/1066782377.db2.gz FDANRYAEHWFDMF-UHFFFAOYSA-N 1 1 553.466 3.857 40 0 KHABMO CC[NH+]1CCN(C(=S)c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)CC1 ZINC000409273350 1066276900 /nfs/dbraw/zinc/27/69/00/1066276900.db2.gz XNITXFFTGNADNL-UHFFFAOYSA-N 1 1 539.439 3.630 40 0 KHABMO O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409367235 1066803848 /nfs/dbraw/zinc/80/38/48/1066803848.db2.gz MIKQKZXTNLIITC-UHFFFAOYSA-N 1 1 506.068 3.674 40 0 KHABMO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000409388144 1066824579 /nfs/dbraw/zinc/82/45/79/1066824579.db2.gz CEHAOBLICMFKII-UHFFFAOYSA-N 1 1 542.101 3.926 40 0 KHABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1 ZINC000409388512 1066824075 /nfs/dbraw/zinc/82/40/75/1066824075.db2.gz DEZPCWPWYJZOKM-UHFFFAOYSA-N 1 1 507.656 3.852 40 0 KHABMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2)cc1C ZINC000409391071 1066821876 /nfs/dbraw/zinc/82/18/76/1066821876.db2.gz XVAOTARNUAJHFF-UHFFFAOYSA-N 1 1 507.656 3.539 40 0 KHABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCCC1)CC2=O)NCc1ccccn1 ZINC000514287329 1066530754 /nfs/dbraw/zinc/53/07/54/1066530754.db2.gz HMFGPFXYJFQKNC-JZODFCAHSA-N 1 1 502.659 3.946 40 0 KHABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)[N@@H+](CC1CCCCC1)C2 ZINC000514287446 1066531078 /nfs/dbraw/zinc/53/10/78/1066531078.db2.gz CPLYKFCCAQFZFV-MBFGAFETSA-N 1 1 553.744 3.904 40 0 KHABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)[N@H+](C1CCC(F)(F)CC1)C2 ZINC000514287450 1066531348 /nfs/dbraw/zinc/53/13/48/1066531348.db2.gz CSXHMQDFDRZPKU-QIXRUXETSA-N 1 1 575.697 3.902 40 0 KHABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@H+](C1CCCCC1)C2 ZINC000514287529 1066531267 /nfs/dbraw/zinc/53/12/67/1066531267.db2.gz IUBNKZGKFQCMLH-IKJZKLLOSA-N 1 1 547.696 3.666 40 0 KHABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@@H+](CC1CCCCC1)C2 ZINC000514287570 1066531196 /nfs/dbraw/zinc/53/11/96/1066531196.db2.gz MRRLINDXIXCFCH-NZFNEECCSA-N 1 1 561.723 3.914 40 0 KHABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)[N@H+](C1CCCCC1)C2 ZINC000514287573 1066531046 /nfs/dbraw/zinc/53/10/46/1066531046.db2.gz MWGVVUJKPIXSMH-USJHEHEUSA-N 1 1 539.717 3.657 40 0 KHABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@H+](C1Cc3ccccc3C1)C2 ZINC000514287598 1066531324 /nfs/dbraw/zinc/53/13/24/1066531324.db2.gz PJXRIRMADKOTKM-DEZLLGJGSA-N 1 1 581.713 3.501 40 0 KHABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@H+](C1CCC(F)(F)CC1)C2 ZINC000514287630 1066531293 /nfs/dbraw/zinc/53/12/93/1066531293.db2.gz RWDKBYMGROZXHT-USJHEHEUSA-N 1 1 583.676 3.911 40 0 KHABMO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)NCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000524730254 1066491344 /nfs/dbraw/zinc/49/13/44/1066491344.db2.gz BITKQPNZDUODJP-XUZZJYLKSA-N 1 1 539.632 3.798 40 0 KHABMO CC(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000575420278 1066489390 /nfs/dbraw/zinc/48/93/90/1066489390.db2.gz ADLITBQSCNMILO-KAYWLYCHSA-N 1 1 512.697 3.956 40 0 KHABMO CC(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000575420281 1066489375 /nfs/dbraw/zinc/48/93/75/1066489375.db2.gz ADLITBQSCNMILO-RRPNLBNLSA-N 1 1 512.697 3.956 40 0 KHABMO CC(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000575420282 1066489467 /nfs/dbraw/zinc/48/94/67/1066489467.db2.gz ADLITBQSCNMILO-SVBPBHIXSA-N 1 1 512.697 3.956 40 0 KHABMO CC(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000575420284 1066489554 /nfs/dbraw/zinc/48/95/54/1066489554.db2.gz ADLITBQSCNMILO-SXOMAYOGSA-N 1 1 512.697 3.956 40 0 KHABMO O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000575422099 1066489530 /nfs/dbraw/zinc/48/95/30/1066489530.db2.gz MHIZATJQUMSWII-IZLXSDGUSA-N 1 1 520.676 3.986 40 0 KHABMO O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575422104 1066490068 /nfs/dbraw/zinc/49/00/68/1066490068.db2.gz MHIZATJQUMSWII-NSOVKSMOSA-N 1 1 520.676 3.986 40 0 KHABMO O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000575422105 1066490149 /nfs/dbraw/zinc/49/01/49/1066490149.db2.gz MHIZATJQUMSWII-VSGBNLITSA-N 1 1 520.676 3.986 40 0 KHABMO O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575422106 1066490224 /nfs/dbraw/zinc/49/02/24/1066490224.db2.gz MHIZATJQUMSWII-WUFINQPMSA-N 1 1 520.676 3.986 40 0 KHABMO O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575424667 1066490270 /nfs/dbraw/zinc/49/02/70/1066490270.db2.gz VHIGDFRQSJWSDN-BJKOFHAPSA-N 1 1 549.512 3.595 40 0 KHABMO O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000575424672 1066490115 /nfs/dbraw/zinc/49/01/15/1066490115.db2.gz VHIGDFRQSJWSDN-DNQXCXABSA-N 1 1 549.512 3.595 40 0 KHABMO O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000575424673 1066490243 /nfs/dbraw/zinc/49/02/43/1066490243.db2.gz VHIGDFRQSJWSDN-RPWUZVMVSA-N 1 1 549.512 3.595 40 0 KHABMO O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575424674 1066490262 /nfs/dbraw/zinc/49/02/62/1066490262.db2.gz VHIGDFRQSJWSDN-ZEQRLZLVSA-N 1 1 549.512 3.595 40 0 KHABMO Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575425015 1066490215 /nfs/dbraw/zinc/49/02/15/1066490215.db2.gz DJLKRSIIUQTUIL-BJKOFHAPSA-N 1 1 519.088 3.795 40 0 KHABMO Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000575425022 1066490132 /nfs/dbraw/zinc/49/01/32/1066490132.db2.gz DJLKRSIIUQTUIL-DNQXCXABSA-N 1 1 519.088 3.795 40 0 KHABMO Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000575425023 1066490251 /nfs/dbraw/zinc/49/02/51/1066490251.db2.gz DJLKRSIIUQTUIL-RPWUZVMVSA-N 1 1 519.088 3.795 40 0 KHABMO Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575425025 1066490085 /nfs/dbraw/zinc/49/00/85/1066490085.db2.gz DJLKRSIIUQTUIL-ZEQRLZLVSA-N 1 1 519.088 3.795 40 0 KHABMO Cc1ccc(Cn2c3nnc(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)n3c3ccccc3c2=O)cc1 ZINC000585148585 1066298080 /nfs/dbraw/zinc/29/80/80/1066298080.db2.gz FQRFUUMLKNAVCN-UHFFFAOYSA-N 1 1 520.637 3.678 40 0 KHABMO CC(C)CCn1c2nnc(CCC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2c2ccccc2c1=O ZINC000585148586 1066298134 /nfs/dbraw/zinc/29/81/34/1066298134.db2.gz HBIDJWPHMCDAPW-UHFFFAOYSA-N 1 1 550.107 3.615 40 0 KHABMO Cc1cccc(N2CC[N@H+](CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCCOC(C)C)C[C@H]2C)c1 ZINC000585148597 1066298686 /nfs/dbraw/zinc/29/86/86/1066298686.db2.gz SWXVOLIWBPQKDE-AREMUKBSSA-N 1 1 587.769 3.817 40 0 KHABMO Cc1cccc(N2CC[N@H+](CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCCOC(C)C)C[C@@H]2C)c1 ZINC000585148598 1066298553 /nfs/dbraw/zinc/29/85/53/1066298553.db2.gz SWXVOLIWBPQKDE-SANMLTNESA-N 1 1 587.769 3.817 40 0 KHABMO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCC[N@H+]4CC[C@@H](O)CO)CC3)n2)s1 ZINC000585263630 1066298640 /nfs/dbraw/zinc/29/86/40/1066298640.db2.gz WWERSTJYUIAMOF-OFNKIYASSA-N 1 1 501.697 3.538 40 0 KHABMO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCC[N@H+]4CC[C@H](O)CO)CC3)n2)s1 ZINC000585263631 1066298482 /nfs/dbraw/zinc/29/84/82/1066298482.db2.gz WWERSTJYUIAMOF-REWPJTCUSA-N 1 1 501.697 3.538 40 0 KHABMO CC(C)c1nc2cc(C(=O)N[C@@H]3C[C@@H](Oc4ccccc4)[C@H](O)[C@H]3[N@@H+](C)CCc3ccccn3)ccc2[nH]1 ZINC000585267186 1066299891 /nfs/dbraw/zinc/29/98/91/1066299891.db2.gz GONFYYAOVYWIBN-VIJSPRBVSA-N 1 1 513.642 3.935 40 0 KHABMO COCC[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585269968 1066300614 /nfs/dbraw/zinc/30/06/14/1066300614.db2.gz RTFMJCUEFCXZJA-RUZDIDTESA-N 1 1 531.653 3.542 40 0 KHABMO COCC[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585269971 1066300869 /nfs/dbraw/zinc/30/08/69/1066300869.db2.gz RTFMJCUEFCXZJA-VWLOTQADSA-N 1 1 531.653 3.542 40 0 KHABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)cc1OC ZINC000585270337 1066301312 /nfs/dbraw/zinc/30/13/12/1066301312.db2.gz BRYABQJDEOIVLZ-HHHXNRCGSA-N 1 1 516.038 3.829 40 0 KHABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)cc1OC ZINC000585270340 1066301239 /nfs/dbraw/zinc/30/12/39/1066301239.db2.gz BRYABQJDEOIVLZ-MHZLTWQESA-N 1 1 516.038 3.829 40 0 KHABMO C[N@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000585270467 1066301429 /nfs/dbraw/zinc/30/14/29/1066301429.db2.gz KXZAMCVATZHQJL-FQEVSTJZSA-N 1 1 504.553 3.939 40 0 KHABMO C[N@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000585270479 1066301386 /nfs/dbraw/zinc/30/13/86/1066301386.db2.gz KXZAMCVATZHQJL-HXUWFJFHSA-N 1 1 504.553 3.939 40 0 KHABMO COc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCn1cc(C)cn1 ZINC000585270495 1066300829 /nfs/dbraw/zinc/30/08/29/1066300829.db2.gz DDSLCSVXHXUFAP-AREMUKBSSA-N 1 1 502.011 3.575 40 0 KHABMO COc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCn1cc(C)cn1 ZINC000585270495 1066300810 /nfs/dbraw/zinc/30/08/10/1066300810.db2.gz DDSLCSVXHXUFAP-AREMUKBSSA-N 1 1 502.011 3.575 40 0 KHABMO COc1ccc(C[N@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1OCCn1cc(C)cn1 ZINC000585270499 1066301087 /nfs/dbraw/zinc/30/10/87/1066301087.db2.gz DDSLCSVXHXUFAP-SANMLTNESA-N 1 1 502.011 3.575 40 0 KHABMO COc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1OCCn1cc(C)cn1 ZINC000585270499 1066301068 /nfs/dbraw/zinc/30/10/68/1066301068.db2.gz DDSLCSVXHXUFAP-SANMLTNESA-N 1 1 502.011 3.575 40 0 KHABMO COc1cc(C[N@@H+](CCO)C[C@@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCCN1CCOCC1 ZINC000585270760 1066299690 /nfs/dbraw/zinc/29/96/90/1066299690.db2.gz BBEPATHKDXPSOU-RUZDIDTESA-N 1 1 565.736 3.864 40 0 KHABMO COc1cc(C[N@@H+](CCO)C[C@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCCN1CCOCC1 ZINC000585270765 1066300138 /nfs/dbraw/zinc/30/01/38/1066300138.db2.gz BBEPATHKDXPSOU-VWLOTQADSA-N 1 1 565.736 3.864 40 0 KHABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585270836 1066300196 /nfs/dbraw/zinc/30/01/96/1066300196.db2.gz DFVCKAMBQFWYAN-HKBQPEDESA-N 1 1 550.700 3.706 40 0 KHABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585270848 1066299936 /nfs/dbraw/zinc/29/99/36/1066299936.db2.gz DFVCKAMBQFWYAN-WJOKGBTCSA-N 1 1 550.700 3.706 40 0 KHABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585270897 1066300073 /nfs/dbraw/zinc/30/00/73/1066300073.db2.gz DMDKMIICMYLMJL-MUUNZHRXSA-N 1 1 513.610 3.705 40 0 KHABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585270904 1066300281 /nfs/dbraw/zinc/30/02/81/1066300281.db2.gz DMDKMIICMYLMJL-NDEPHWFRSA-N 1 1 513.610 3.705 40 0 KHABMO COc1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1ccnc1 ZINC000585270977 1066302124 /nfs/dbraw/zinc/30/21/24/1066302124.db2.gz DXGMBRSVZGHIKQ-AREMUKBSSA-N 1 1 502.011 3.657 40 0 KHABMO COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1ccnc1 ZINC000585270977 1066302111 /nfs/dbraw/zinc/30/21/11/1066302111.db2.gz DXGMBRSVZGHIKQ-AREMUKBSSA-N 1 1 502.011 3.657 40 0 KHABMO COc1cc(C[N@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1ccnc1 ZINC000585270983 1066302475 /nfs/dbraw/zinc/30/24/75/1066302475.db2.gz DXGMBRSVZGHIKQ-SANMLTNESA-N 1 1 502.011 3.657 40 0 KHABMO COc1cc(C[N@@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1ccnc1 ZINC000585270983 1066302460 /nfs/dbraw/zinc/30/24/60/1066302460.db2.gz DXGMBRSVZGHIKQ-SANMLTNESA-N 1 1 502.011 3.657 40 0 KHABMO OCC[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585271034 1066301769 /nfs/dbraw/zinc/30/17/69/1066301769.db2.gz DFOQGTQZKYNVLK-RUZDIDTESA-N 1 1 505.684 3.977 40 0 KHABMO OCC[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585271041 1066302280 /nfs/dbraw/zinc/30/22/80/1066302280.db2.gz DFOQGTQZKYNVLK-VWLOTQADSA-N 1 1 505.684 3.977 40 0 KHABMO CCc1[nH+]ccn1CCOc1cc(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585271459 1066302594 /nfs/dbraw/zinc/30/25/94/1066302594.db2.gz HXHKZFZHYUPDGE-HHHXNRCGSA-N 1 1 516.038 3.829 40 0 KHABMO CCc1[nH+]ccn1CCOc1cc(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585271461 1066302654 /nfs/dbraw/zinc/30/26/54/1066302654.db2.gz HXHKZFZHYUPDGE-MHZLTWQESA-N 1 1 516.038 3.829 40 0 KHABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585271463 1066301579 /nfs/dbraw/zinc/30/15/79/1066301579.db2.gz HXWHTHJTELBLFX-HHHXNRCGSA-N 1 1 516.038 3.829 40 0 KHABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585271467 1066301987 /nfs/dbraw/zinc/30/19/87/1066301987.db2.gz HXWHTHJTELBLFX-MHZLTWQESA-N 1 1 516.038 3.829 40 0 KHABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585271637 1066302215 /nfs/dbraw/zinc/30/22/15/1066302215.db2.gz IZUOFQDRAWYOKN-HKBQPEDESA-N 1 1 537.701 3.641 40 0 KHABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585271637 1066302195 /nfs/dbraw/zinc/30/21/95/1066302195.db2.gz IZUOFQDRAWYOKN-HKBQPEDESA-N 1 1 537.701 3.641 40 0 KHABMO Cn1c2ccccc2n(CCOc2ccc(C[N@H+]3CCOC[C@@](O)(COc4cccc(Cl)c4)C3)cc2)c1=O ZINC000585271640 1066302162 /nfs/dbraw/zinc/30/21/62/1066302162.db2.gz BFYAHXJSMLSDDY-GDLZYMKVSA-N 1 1 538.044 3.715 40 0 KHABMO Cn1c2ccccc2n(CCOc2ccc(C[N@@H+]3CCOC[C@@](O)(COc4cccc(Cl)c4)C3)cc2)c1=O ZINC000585271640 1066302149 /nfs/dbraw/zinc/30/21/49/1066302149.db2.gz BFYAHXJSMLSDDY-GDLZYMKVSA-N 1 1 538.044 3.715 40 0 KHABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585271644 1066302558 /nfs/dbraw/zinc/30/25/58/1066302558.db2.gz IZUOFQDRAWYOKN-WJOKGBTCSA-N 1 1 537.701 3.641 40 0 KHABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585271644 1066302544 /nfs/dbraw/zinc/30/25/44/1066302544.db2.gz IZUOFQDRAWYOKN-WJOKGBTCSA-N 1 1 537.701 3.641 40 0 KHABMO Cn1c2ccccc2n(CCOc2ccc(C[N@H+]3CCOC[C@](O)(COc4cccc(Cl)c4)C3)cc2)c1=O ZINC000585271652 1066301728 /nfs/dbraw/zinc/30/17/28/1066301728.db2.gz BFYAHXJSMLSDDY-LJAQVGFWSA-N 1 1 538.044 3.715 40 0 KHABMO Cn1c2ccccc2n(CCOc2ccc(C[N@@H+]3CCOC[C@](O)(COc4cccc(Cl)c4)C3)cc2)c1=O ZINC000585271652 1066301709 /nfs/dbraw/zinc/30/17/09/1066301709.db2.gz BFYAHXJSMLSDDY-LJAQVGFWSA-N 1 1 538.044 3.715 40 0 KHABMO OCCC[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271761 1066300742 /nfs/dbraw/zinc/30/07/42/1066300742.db2.gz HFXGFNGGPAVJKS-AREMUKBSSA-N 1 1 517.670 3.751 40 0 KHABMO OCCC[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271767 1066301142 /nfs/dbraw/zinc/30/11/42/1066301142.db2.gz HFXGFNGGPAVJKS-SANMLTNESA-N 1 1 517.670 3.751 40 0 KHABMO 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CCc1[nH+]ccn1CCCOc1ccc(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585281501 1066310484 /nfs/dbraw/zinc/31/04/84/1066310484.db2.gz KJOUHYVGZFQIKX-MUUNZHRXSA-N 1 1 531.600 3.844 40 0 KHABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585281502 1066310053 /nfs/dbraw/zinc/31/00/53/1066310053.db2.gz KJOUHYVGZFQIKX-NDEPHWFRSA-N 1 1 531.600 3.844 40 0 KHABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)cc1OCCCN1CCCCCC1=O ZINC000585281526 1066310941 /nfs/dbraw/zinc/31/09/41/1066310941.db2.gz KWUMKYNOQOSHQK-JDXGNMNLSA-N 1 1 526.674 3.552 40 0 KHABMO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)cc1OCCCN1CCCCCC1=O ZINC000585281526 1066310926 /nfs/dbraw/zinc/31/09/26/1066310926.db2.gz KWUMKYNOQOSHQK-JDXGNMNLSA-N 1 1 526.674 3.552 40 0 KHABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1ccnc1 ZINC000585281542 1066311020 /nfs/dbraw/zinc/31/10/20/1066311020.db2.gz LBVSKNPMAWEQBM-BDYUSTAISA-N 1 1 516.038 3.618 40 0 KHABMO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1ccnc1 ZINC000585281542 1066311005 /nfs/dbraw/zinc/31/10/05/1066311005.db2.gz LBVSKNPMAWEQBM-BDYUSTAISA-N 1 1 516.038 3.618 40 0 KHABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585281621 1066310892 /nfs/dbraw/zinc/31/08/92/1066310892.db2.gz NLCXRUCCWCQVQH-JDXGNMNLSA-N 1 1 526.674 3.552 40 0 KHABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585281621 1066310870 /nfs/dbraw/zinc/31/08/70/1066310870.db2.gz NLCXRUCCWCQVQH-JDXGNMNLSA-N 1 1 526.674 3.552 40 0 KHABMO COc1ccc(CN2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585281659 1066309190 /nfs/dbraw/zinc/30/91/90/1066309190.db2.gz ODKLJLKYDNZQIV-GDLZYMKVSA-N 1 1 509.647 3.847 40 0 KHABMO COc1ccc(CN2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585281660 1066309541 /nfs/dbraw/zinc/30/95/41/1066309541.db2.gz ODKLJLKYDNZQIV-LJAQVGFWSA-N 1 1 509.647 3.847 40 0 KHABMO COc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCCn1ccnc1 ZINC000585281665 1066308722 /nfs/dbraw/zinc/30/87/22/1066308722.db2.gz OJZKRJHJEQUKJZ-GDLZYMKVSA-N 1 1 509.647 3.928 40 0 KHABMO COc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCCn1ccnc1 ZINC000585281665 1066308704 /nfs/dbraw/zinc/30/87/04/1066308704.db2.gz OJZKRJHJEQUKJZ-GDLZYMKVSA-N 1 1 509.647 3.928 40 0 KHABMO COc1ccc(C[N@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCCn1ccnc1 ZINC000585281666 1066308889 /nfs/dbraw/zinc/30/88/89/1066308889.db2.gz OJZKRJHJEQUKJZ-LJAQVGFWSA-N 1 1 509.647 3.928 40 0 KHABMO COc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCCn1ccnc1 ZINC000585281666 1066308872 /nfs/dbraw/zinc/30/88/72/1066308872.db2.gz OJZKRJHJEQUKJZ-LJAQVGFWSA-N 1 1 509.647 3.928 40 0 KHABMO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@@H+](Cc3ccc(OCCn4c5ccccc5n(C)c4=O)cc3)CC[C@@H]2O)c1 ZINC000585281667 1066309781 /nfs/dbraw/zinc/30/97/81/1066309781.db2.gz OKFHITRBXQPXNW-JDXGNMNLSA-N 1 1 552.071 3.758 40 0 KHABMO O=C1CCCCCN1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585281685 1066309136 /nfs/dbraw/zinc/30/91/36/1066309136.db2.gz PAYCNTAISNWOSS-XCZPVHLTSA-N 1 1 517.066 3.888 40 0 KHABMO O=C1CCCCCN1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585281686 1066308758 /nfs/dbraw/zinc/30/87/58/1066308758.db2.gz PAYCNTAISNWOSS-XTEPFMGCSA-N 1 1 517.066 3.888 40 0 KHABMO O=C1CCCCCN1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000585281697 1066309606 /nfs/dbraw/zinc/30/96/06/1066309606.db2.gz PFJJSQIJLDAXNQ-XCZPVHLTSA-N 1 1 517.066 3.888 40 0 KHABMO COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281731 1066309655 /nfs/dbraw/zinc/30/96/55/1066309655.db2.gz QKYQJAIVPNSZBW-HKBQPEDESA-N 1 1 550.700 3.760 40 0 KHABMO COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281732 1066309333 /nfs/dbraw/zinc/30/93/33/1066309333.db2.gz QKYQJAIVPNSZBW-WJOKGBTCSA-N 1 1 550.700 3.760 40 0 KHABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1ccnc1 ZINC000585281751 1066309473 /nfs/dbraw/zinc/30/94/73/1066309473.db2.gz QQLXTYPJRAPYFM-SVBPBHIXSA-N 1 1 516.038 3.699 40 0 KHABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1ccnc1 ZINC000585281751 1066309455 /nfs/dbraw/zinc/30/94/55/1066309455.db2.gz QQLXTYPJRAPYFM-SVBPBHIXSA-N 1 1 516.038 3.699 40 0 KHABMO Cc1cc(OC[C@@]2(O)C[N@@H+](Cc3cccc(OCCCn4cccn4)c3)CC[C@@H]2O)cc(C)c1Cl ZINC000585281770 1066309391 /nfs/dbraw/zinc/30/93/91/1066309391.db2.gz REROTRVOJURQOS-BDYUSTAISA-N 1 1 500.039 3.999 40 0 KHABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585281776 1066310113 /nfs/dbraw/zinc/31/01/13/1066310113.db2.gz RIRFWCOTIXJMNP-MUUNZHRXSA-N 1 1 531.600 3.844 40 0 KHABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585281777 1066310794 /nfs/dbraw/zinc/31/07/94/1066310794.db2.gz RIRFWCOTIXJMNP-NDEPHWFRSA-N 1 1 531.600 3.844 40 0 KHABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cccn1 ZINC000585281844 1066309846 /nfs/dbraw/zinc/30/98/46/1066309846.db2.gz CEBDCOHBVBXIEZ-BDYUSTAISA-N 1 1 516.038 3.618 40 0 KHABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cccn1 ZINC000585281844 1066309827 /nfs/dbraw/zinc/30/98/27/1066309827.db2.gz CEBDCOHBVBXIEZ-BDYUSTAISA-N 1 1 516.038 3.618 40 0 KHABMO Cc1nccn1CCOc1cccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000585281880 1066308923 /nfs/dbraw/zinc/30/89/23/1066308923.db2.gz RUZYCHIQQPUMBM-BDYUSTAISA-N 1 1 500.039 3.917 40 0 KHABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1cc(C)cn1 ZINC000585281921 1066309098 /nfs/dbraw/zinc/30/90/98/1066309098.db2.gz UHPBNADUGVAJLK-XCZPVHLTSA-N 1 1 530.065 3.926 40 0 KHABMO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1cc(C)cn1 ZINC000585281921 1066309083 /nfs/dbraw/zinc/30/90/83/1066309083.db2.gz UHPBNADUGVAJLK-XCZPVHLTSA-N 1 1 530.065 3.926 40 0 KHABMO COc1cc(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281926 1066309008 /nfs/dbraw/zinc/30/90/08/1066309008.db2.gz UJCZACBCDKRGHA-HHHXNRCGSA-N 1 1 517.573 3.590 40 0 KHABMO COc1cc(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281927 1066309717 /nfs/dbraw/zinc/30/97/17/1066309717.db2.gz UJCZACBCDKRGHA-MHZLTWQESA-N 1 1 517.573 3.590 40 0 KHABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1ccnc1 ZINC000585281936 1066308644 /nfs/dbraw/zinc/30/86/44/1066308644.db2.gz USEOMNNKGQFSMJ-BDYUSTAISA-N 1 1 516.038 3.618 40 0 KHABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1ccnc1 ZINC000585281936 1066308629 /nfs/dbraw/zinc/30/86/29/1066308629.db2.gz USEOMNNKGQFSMJ-BDYUSTAISA-N 1 1 516.038 3.618 40 0 KHABMO Cc1nccn1CCCOc1cccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)c1 ZINC000585281961 1066312626 /nfs/dbraw/zinc/31/26/26/1066312626.db2.gz VQDULFXUTBKRCT-SVBPBHIXSA-N 1 1 500.039 3.999 40 0 KHABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cc(C)cn1 ZINC000585282089 1066314161 /nfs/dbraw/zinc/31/41/61/1066314161.db2.gz XOZSYLJWAXLPSL-SVBPBHIXSA-N 1 1 516.038 3.618 40 0 KHABMO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cc(C)cn1 ZINC000585282089 1066314144 /nfs/dbraw/zinc/31/41/44/1066314144.db2.gz XOZSYLJWAXLPSL-SVBPBHIXSA-N 1 1 516.038 3.618 40 0 KHABMO CCc1nccn1CCCOc1cccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585282148 1066314019 /nfs/dbraw/zinc/31/40/19/1066314019.db2.gz YIRCCBIWODNZRP-BDYUSTAISA-N 1 1 500.039 3.945 40 0 KHABMO COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585282185 1066313883 /nfs/dbraw/zinc/31/38/83/1066313883.db2.gz YZBNRBLTRGMPHS-HKBQPEDESA-N 1 1 550.700 3.760 40 0 KHABMO COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585282186 1066313539 /nfs/dbraw/zinc/31/35/39/1066313539.db2.gz YZBNRBLTRGMPHS-WJOKGBTCSA-N 1 1 550.700 3.760 40 0 KHABMO Cc1nccn1CCCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585282195 1066313607 /nfs/dbraw/zinc/31/36/07/1066313607.db2.gz ZFSASDCARZSDFI-SVBPBHIXSA-N 1 1 500.039 3.999 40 0 KHABMO Cc1cc(OC[C@@]2(O)C[N@@H+](Cc3cccc(OCCCN4CCCC4=O)c3)CC[C@@H]2O)cc(C)c1Cl ZINC000585282499 1066313967 /nfs/dbraw/zinc/31/39/67/1066313967.db2.gz LDYLCQCPDRCSJC-LSYYVWMOSA-N 1 1 517.066 3.725 40 0 KHABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)COc3ccc(Cl)cc3)CCO2)ccc1Cl ZINC000585283480 1066314676 /nfs/dbraw/zinc/31/46/76/1066314676.db2.gz FMOATBJOXLCFTN-HHHXNRCGSA-N 1 1 550.483 3.521 40 0 KHABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)COc3ccc(Cl)cc3)CCO2)ccc1Cl ZINC000585283481 1066314433 /nfs/dbraw/zinc/31/44/33/1066314433.db2.gz FMOATBJOXLCFTN-MHZLTWQESA-N 1 1 550.483 3.521 40 0 KHABMO CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)C[N@@H+](CCC(C)C)CCO2)CC1 ZINC000585283914 1066314188 /nfs/dbraw/zinc/31/41/88/1066314188.db2.gz ISCSCKXZKNKTRH-HHHXNRCGSA-N 1 1 508.103 3.970 40 0 KHABMO CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)C[N@@H+](CCC(C)C)CCO2)CC1 ZINC000585283916 1066313467 /nfs/dbraw/zinc/31/34/67/1066313467.db2.gz ISCSCKXZKNKTRH-MHZLTWQESA-N 1 1 508.103 3.970 40 0 KHABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)ccc1OC ZINC000585284064 1066316421 /nfs/dbraw/zinc/31/64/21/1066316421.db2.gz UOQAZOYMDKQOCT-HKBQPEDESA-N 1 1 550.700 3.624 40 0 KHABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)ccc1OC ZINC000585284067 1066316190 /nfs/dbraw/zinc/31/61/90/1066316190.db2.gz UOQAZOYMDKQOCT-WJOKGBTCSA-N 1 1 550.700 3.624 40 0 KHABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CCCOc3ccccc3F)CCO2)ccc1Cl ZINC000585284221 1066316123 /nfs/dbraw/zinc/31/61/23/1066316123.db2.gz HPXOAVRHJUIMRO-GDLZYMKVSA-N 1 1 562.082 3.787 40 0 KHABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CCCOc3ccccc3F)CCO2)ccc1Cl ZINC000585284229 1066315910 /nfs/dbraw/zinc/31/59/10/1066315910.db2.gz HPXOAVRHJUIMRO-LJAQVGFWSA-N 1 1 562.082 3.787 40 0 KHABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1cc(C)cn1 ZINC000585285273 1066316707 /nfs/dbraw/zinc/31/67/07/1066316707.db2.gz DGVMRJHUAIFWMF-VMPREFPWSA-N 1 1 509.647 3.581 40 0 KHABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1cc(C)cn1 ZINC000585285273 1066316693 /nfs/dbraw/zinc/31/66/93/1066316693.db2.gz DGVMRJHUAIFWMF-VMPREFPWSA-N 1 1 509.647 3.581 40 0 KHABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585285915 1066315743 /nfs/dbraw/zinc/31/57/43/1066315743.db2.gz FCCIKBOTXLXIAT-MUUNZHRXSA-N 1 1 531.600 3.844 40 0 KHABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585285916 1066315846 /nfs/dbraw/zinc/31/58/46/1066315846.db2.gz FCCIKBOTXLXIAT-NDEPHWFRSA-N 1 1 531.600 3.844 40 0 KHABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)cc1OCCn1cc(C)cn1 ZINC000585286681 1066316752 /nfs/dbraw/zinc/31/67/52/1066316752.db2.gz HOUZZPWVWCFCLA-YTMVLYRLSA-N 1 1 509.647 3.581 40 0 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